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-cb22d2b2/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5m8i_rna-cb22d2b2/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 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-cb22d2b2/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5m8i_rna-cb22d2b2/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 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-cb22d2b2/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5m8i_rna-cb22d2b2/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 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-cb22d2b2/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5m8i_rna-cb22d2b2/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 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-cb22d2b2/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5m8i_rna-cb22d2b2/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 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-cb22d2b2/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5m8i_rna-cb22d2b2/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 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-cb22d2b2/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5m8i_rna-cb22d2b2/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 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-cb22d2b2/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5m8i_rna-cb22d2b2/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 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-cb22d2b2/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5m8i_rna-cb22d2b2/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 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-cb22d2b2/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/5m8i_rna-cb22d2b2/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 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: 3 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -23.937988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.937988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.937988 (E_RNA) where: Base-Base interactions energy: -6.232 where: short stacking energy: -6.232 Base-Backbone interact. energy: -0.001 local terms energy: -17.705672 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.785 flat angles P-C4'-P energy: -3.281 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: 4, replica: 8 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -32.170988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.170988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.170988 (E_RNA) where: Base-Base interactions energy: -10.884 where: short stacking energy: -10.884 Base-Backbone interact. energy: -0.001 local terms energy: -21.286254 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.448 flat angles P-C4'-P energy: -3.775 tors. eta vs tors. theta energy: -3.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 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: 3 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -29.561608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.561608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.561608 (E_RNA) where: Base-Base interactions energy: -9.615 where: short stacking energy: -9.615 Base-Backbone interact. energy: -0.000 local terms energy: -19.946368 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.393 flat angles P-C4'-P energy: -3.121 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: 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: 10 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -25.803029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.803029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.803029 (E_RNA) where: Base-Base interactions energy: -9.021 where: short stacking energy: -9.021 Base-Backbone interact. energy: -0.002 local terms energy: -16.779556 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -2.830 flat angles P-C4'-P energy: -3.833 tors. eta vs tors. theta energy: -1.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -20.193822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.193822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.193822 (E_RNA) where: Base-Base interactions energy: -4.245 where: short stacking energy: -4.245 Base-Backbone interact. energy: -0.011 local terms energy: -15.937845 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.078 flat angles C4'-P-C4' energy: -4.394 flat angles P-C4'-P energy: -3.778 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: 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: 3 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -31.416325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.416325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.416325 (E_RNA) where: Base-Base interactions energy: -10.709 where: short stacking energy: -10.709 Base-Backbone interact. energy: -0.000 local terms energy: -20.706984 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.540 flat angles P-C4'-P energy: -2.474 tors. eta vs tors. theta energy: -4.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 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: 10 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -25.984084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.984084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.984084 (E_RNA) where: Base-Base interactions energy: -7.633 where: short stacking energy: -7.633 Base-Backbone interact. energy: -0.025 local terms energy: -18.326473 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.336 flat angles C4'-P-C4' energy: -4.137 flat angles P-C4'-P energy: -2.436 tors. eta vs tors. theta energy: -3.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 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: 8 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -28.201781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.201781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.201781 (E_RNA) where: Base-Base interactions energy: -8.102 where: short stacking energy: -8.102 Base-Backbone interact. energy: -0.000 local terms energy: -20.099652 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -3.825 flat angles P-C4'-P energy: -1.924 tors. eta vs tors. theta energy: -5.229 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: 9 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -24.565219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.565219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.565219 (E_RNA) where: Base-Base interactions energy: -7.671 where: short stacking energy: -7.671 Base-Backbone interact. energy: -0.001 local terms energy: -16.893402 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -3.818 flat angles C4'-P-C4' energy: -2.977 flat angles P-C4'-P energy: -2.882 tors. eta vs tors. theta energy: -3.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -20.727180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.727180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.727180 (E_RNA) where: Base-Base interactions energy: -6.617 where: short stacking energy: -6.617 Base-Backbone interact. energy: -0.014 local terms energy: -14.095464 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -3.631 flat angles C4'-P-C4' energy: -4.459 flat angles P-C4'-P energy: -2.564 tors. eta vs tors. theta energy: 0.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -19.274972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.274972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.274972 (E_RNA) where: Base-Base interactions energy: -4.840 where: short stacking energy: -4.840 Base-Backbone interact. energy: -0.002 local terms energy: -14.432988 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.200 flat angles P-C4'-P energy: -1.913 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: 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: 3 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -31.015124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.015124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.015124 (E_RNA) where: Base-Base interactions energy: -11.902 where: short stacking energy: -11.902 Base-Backbone interact. energy: -0.000 local terms energy: -19.112780 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.186 flat angles P-C4'-P energy: -1.856 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: 10 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -29.781402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.781402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.781402 (E_RNA) where: Base-Base interactions energy: -11.043 where: short stacking energy: -11.043 Base-Backbone interact. energy: -0.023 local terms energy: -18.714717 where: bonds (distance) C4'-P energy: -3.397 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.786 flat angles P-C4'-P energy: -3.380 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: 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: 8 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -28.225899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.225899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.225899 (E_RNA) where: Base-Base interactions energy: -9.139 where: short stacking energy: -9.139 Base-Backbone interact. energy: -0.000 local terms energy: -19.087159 where: bonds (distance) C4'-P energy: -4.009 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -4.398 flat angles P-C4'-P energy: -2.590 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: 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: 1 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -26.083687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.083687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.083687 (E_RNA) where: Base-Base interactions energy: -9.449 where: short stacking energy: -9.449 Base-Backbone interact. energy: -0.000 local terms energy: -16.634650 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -1.965 flat angles C4'-P-C4' energy: -3.935 flat angles P-C4'-P energy: -3.473 tors. eta vs tors. theta energy: -3.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -26.317867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.317867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.317867 (E_RNA) where: Base-Base interactions energy: -8.643 where: short stacking energy: -8.643 Base-Backbone interact. energy: -0.000 local terms energy: -17.674638 where: bonds (distance) C4'-P energy: -1.720 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.206 flat angles P-C4'-P energy: -1.420 tors. eta vs tors. theta energy: -4.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 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: 6 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -21.228935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.228935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.228935 (E_RNA) where: Base-Base interactions energy: -4.578 where: short stacking energy: -4.678 Base-Backbone interact. energy: -0.102 local terms energy: -16.548956 where: bonds (distance) C4'-P energy: -3.889 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.557 flat angles P-C4'-P energy: -2.937 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: 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: 10 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -27.290000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.290000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.290000 (E_RNA) where: Base-Base interactions energy: -11.520 where: short stacking energy: -11.520 Base-Backbone interact. energy: 0.117 local terms energy: -15.887727 where: bonds (distance) C4'-P energy: -3.939 bonds (distance) P-C4' energy: -3.821 flat angles C4'-P-C4' energy: -3.583 flat angles P-C4'-P energy: -3.205 tors. eta vs tors. theta energy: -1.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -28.688624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.688624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.688624 (E_RNA) where: Base-Base interactions energy: -9.729 where: short stacking energy: -9.729 Base-Backbone interact. energy: -0.000 local terms energy: -18.959323 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -3.870 flat angles C4'-P-C4' energy: -4.700 flat angles P-C4'-P energy: -3.108 tors. eta vs tors. theta energy: -2.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -26.047621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.047621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.047621 (E_RNA) where: Base-Base interactions energy: -7.442 where: short stacking energy: -7.442 Base-Backbone interact. energy: -0.000 local terms energy: -18.605921 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -4.441 flat angles P-C4'-P energy: -3.541 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: 4, replica: 8 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -22.864827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.864827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.864827 (E_RNA) where: Base-Base interactions energy: -4.862 where: short stacking energy: -4.862 Base-Backbone interact. energy: -0.000 local terms energy: -18.002732 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.074 flat angles P-C4'-P energy: -3.686 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: 5, replica: 1 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -26.475710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.475710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.475710 (E_RNA) where: Base-Base interactions energy: -10.561 where: short stacking energy: -10.561 Base-Backbone interact. energy: -0.001 local terms energy: -15.914094 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -2.588 flat angles P-C4'-P energy: -2.249 tors. eta vs tors. theta energy: -3.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 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: 9 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -24.263431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.263431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.263431 (E_RNA) where: Base-Base interactions energy: -5.895 where: short stacking energy: -5.895 Base-Backbone interact. energy: -0.000 local terms energy: -18.368248 where: bonds (distance) C4'-P energy: -2.564 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.759 flat angles P-C4'-P energy: -3.835 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: 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: 6 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -25.311076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.311076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.311076 (E_RNA) where: Base-Base interactions energy: -7.372 where: short stacking energy: -7.372 Base-Backbone interact. energy: -0.001 local terms energy: -17.938506 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -3.100 flat angles C4'-P-C4' energy: -2.605 flat angles P-C4'-P energy: -3.770 tors. eta vs tors. theta energy: -3.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -32.238851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.238851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.238851 (E_RNA) where: Base-Base interactions energy: -11.519 where: short stacking energy: -11.519 Base-Backbone interact. energy: -0.000 local terms energy: -20.720185 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.233 flat angles P-C4'-P energy: -3.618 tors. eta vs tors. theta energy: -3.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -26.879762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.879762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.879762 (E_RNA) where: Base-Base interactions energy: -10.908 where: short stacking energy: -10.908 Base-Backbone interact. energy: -0.000 local terms energy: -15.971419 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.394 flat angles P-C4'-P energy: -0.947 tors. eta vs tors. theta energy: -1.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -26.509165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.509165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.509165 (E_RNA) where: Base-Base interactions energy: -8.274 where: short stacking energy: -8.274 Base-Backbone interact. energy: -0.022 local terms energy: -18.213098 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.394 flat angles P-C4'-P energy: -3.387 tors. eta vs tors. theta energy: -0.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -26.337477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.337477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.337477 (E_RNA) where: Base-Base interactions energy: -9.176 where: short stacking energy: -9.176 Base-Backbone interact. energy: -0.000 local terms energy: -17.160994 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -3.582 flat angles C4'-P-C4' energy: -4.398 flat angles P-C4'-P energy: -2.569 tors. eta vs tors. theta energy: -2.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -25.398876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.398876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.398876 (E_RNA) where: Base-Base interactions energy: -6.524 where: short stacking energy: -6.524 Base-Backbone interact. energy: -0.000 local terms energy: -18.874850 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.099 flat angles P-C4'-P energy: -3.460 tors. eta vs tors. theta energy: -1.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 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: 9 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -20.448798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.448798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.448798 (E_RNA) where: Base-Base interactions energy: -4.902 where: short stacking energy: -4.902 Base-Backbone interact. energy: -0.150 local terms energy: -15.397237 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -4.752 flat angles P-C4'-P energy: -3.616 tors. eta vs tors. theta energy: 1.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -19.937183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.937183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.937183 (E_RNA) where: Base-Base interactions energy: -5.035 where: short stacking energy: -5.280 Base-Backbone interact. energy: -0.202 local terms energy: -14.700496 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -2.699 flat angles P-C4'-P energy: -2.224 tors. eta vs tors. theta energy: -0.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -28.591336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.591336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.591336 (E_RNA) where: Base-Base interactions energy: -7.707 where: short stacking energy: -7.707 Base-Backbone interact. energy: -0.000 local terms energy: -20.884745 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.676 flat angles P-C4'-P energy: -3.338 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: 2, replica: 10 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -28.776114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.776114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.776114 (E_RNA) where: Base-Base interactions energy: -10.801 where: short stacking energy: -10.801 Base-Backbone interact. energy: -0.000 local terms energy: -17.974884 where: bonds (distance) C4'-P energy: -4.643 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.028 flat angles P-C4'-P energy: -1.549 tors. eta vs tors. theta energy: -3.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -26.428073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.428073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.428073 (E_RNA) where: Base-Base interactions energy: -9.962 where: short stacking energy: -9.962 Base-Backbone interact. energy: -0.000 local terms energy: -16.466329 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -2.606 flat angles C4'-P-C4' energy: -4.059 flat angles P-C4'-P energy: -3.404 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: 4, replica: 7 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -27.393394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.393394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.393394 (E_RNA) where: Base-Base interactions energy: -10.951 where: short stacking energy: -10.951 Base-Backbone interact. energy: -0.000 local terms energy: -16.442725 where: bonds (distance) C4'-P energy: -4.448 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.744 flat angles P-C4'-P energy: -2.307 tors. eta vs tors. theta energy: -0.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 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: 8 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -22.100885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.100885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.100885 (E_RNA) where: Base-Base interactions energy: -6.355 where: short stacking energy: -6.355 Base-Backbone interact. energy: -0.040 local terms energy: -15.705933 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -3.751 flat angles C4'-P-C4' energy: -2.681 flat angles P-C4'-P energy: -3.479 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: 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: 6 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -19.895593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.895593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.895593 (E_RNA) where: Base-Base interactions energy: -6.089 where: short stacking energy: -6.089 Base-Backbone interact. energy: -0.006 local terms energy: -13.801281 where: bonds (distance) C4'-P energy: -3.272 bonds (distance) P-C4' energy: -3.497 flat angles C4'-P-C4' energy: -4.801 flat angles P-C4'-P energy: -0.888 tors. eta vs tors. theta energy: -1.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -20.460136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.460136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.460136 (E_RNA) where: Base-Base interactions energy: -5.746 where: short stacking energy: -5.746 Base-Backbone interact. energy: -0.095 local terms energy: -14.619278 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.149 flat angles C4'-P-C4' energy: -4.594 flat angles P-C4'-P energy: -4.034 tors. eta vs tors. theta energy: 2.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -25.995586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.995586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.995586 (E_RNA) where: Base-Base interactions energy: -8.436 where: short stacking energy: -8.436 Base-Backbone interact. energy: -0.002 local terms energy: -17.557520 where: bonds (distance) C4'-P energy: -3.322 bonds (distance) P-C4' energy: -3.332 flat angles C4'-P-C4' energy: -3.610 flat angles P-C4'-P energy: -3.787 tors. eta vs tors. theta energy: -3.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -24.346356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.346356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.346356 (E_RNA) where: Base-Base interactions energy: -4.518 where: short stacking energy: -3.233 Base-Backbone interact. energy: -0.033 local terms energy: -19.795237 where: bonds (distance) C4'-P energy: -4.279 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.413 flat angles P-C4'-P energy: -3.851 tors. eta vs tors. theta energy: -2.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -23.209606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.209606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.209606 (E_RNA) where: Base-Base interactions energy: -7.364 where: short stacking energy: -7.364 Base-Backbone interact. energy: -0.019 local terms energy: -15.826505 where: bonds (distance) C4'-P energy: -3.889 bonds (distance) P-C4' energy: -4.180 flat angles C4'-P-C4' energy: -3.436 flat angles P-C4'-P energy: -2.141 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: 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: 7 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -26.652414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.652414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.652414 (E_RNA) where: Base-Base interactions energy: -8.419 where: short stacking energy: -8.419 Base-Backbone interact. energy: -0.000 local terms energy: -18.233457 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.286 flat angles P-C4'-P energy: -1.578 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: 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: 8 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -22.810006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.810006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.810006 (E_RNA) where: Base-Base interactions energy: -9.885 where: short stacking energy: -9.885 Base-Backbone interact. energy: -0.090 local terms energy: -12.834603 where: bonds (distance) C4'-P energy: -3.451 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -0.896 flat angles P-C4'-P energy: -3.291 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: 8, replica: 6 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -22.888554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.888554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.888554 (E_RNA) where: Base-Base interactions energy: -10.715 where: short stacking energy: -10.715 Base-Backbone interact. energy: 1.406 local terms energy: -13.579675 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -4.317 flat angles C4'-P-C4' energy: -1.591 flat angles P-C4'-P energy: -3.376 tors. eta vs tors. theta energy: -0.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 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: 9 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -23.395493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.395493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.395493 (E_RNA) where: Base-Base interactions energy: -6.768 where: short stacking energy: -6.768 Base-Backbone interact. energy: -0.009 local terms energy: -16.617777 where: bonds (distance) C4'-P energy: -3.268 bonds (distance) P-C4' energy: -3.800 flat angles C4'-P-C4' energy: -3.629 flat angles P-C4'-P energy: -3.376 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: 1, replica: 1 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -24.096501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.096501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.096501 (E_RNA) where: Base-Base interactions energy: -7.920 where: short stacking energy: -7.920 Base-Backbone interact. energy: -0.000 local terms energy: -16.176160 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -3.944 flat angles C4'-P-C4' energy: -3.919 flat angles P-C4'-P energy: -1.705 tors. eta vs tors. theta energy: -2.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -25.546732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.546732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.546732 (E_RNA) where: Base-Base interactions energy: -6.791 where: short stacking energy: -6.991 Base-Backbone interact. energy: -1.927 local terms energy: -16.828093 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.634 flat angles C4'-P-C4' energy: -4.666 flat angles P-C4'-P energy: -3.933 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: 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: -26.433093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.433093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.433093 (E_RNA) where: Base-Base interactions energy: -8.240 where: short stacking energy: -8.240 Base-Backbone interact. energy: -0.000 local terms energy: -18.192352 where: bonds (distance) C4'-P energy: -2.859 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.078 flat angles P-C4'-P energy: -3.007 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: 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: 7 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -26.784591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.784591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.784591 (E_RNA) where: Base-Base interactions energy: -10.671 where: short stacking energy: -10.671 Base-Backbone interact. energy: -0.002 local terms energy: -16.111959 where: bonds (distance) C4'-P energy: -3.335 bonds (distance) P-C4' energy: -4.416 flat angles C4'-P-C4' energy: -4.820 flat angles P-C4'-P energy: -2.256 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: 7, replica: 6 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -24.191217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.191217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.191217 (E_RNA) where: Base-Base interactions energy: -9.228 where: short stacking energy: -9.228 Base-Backbone interact. energy: -0.000 local terms energy: -14.963367 where: bonds (distance) C4'-P energy: -3.032 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -3.641 flat angles P-C4'-P energy: -2.178 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: 8, replica: 8 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -20.485753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.485753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.485753 (E_RNA) where: Base-Base interactions energy: -4.468 where: short stacking energy: -4.468 Base-Backbone interact. energy: -0.169 local terms energy: -15.848790 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.274 flat angles P-C4'-P energy: -2.552 tors. eta vs tors. theta energy: -0.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -20.668164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.668164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.668164 (E_RNA) where: Base-Base interactions energy: -4.667 where: short stacking energy: -4.667 Base-Backbone interact. energy: -0.100 local terms energy: -15.901742 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.801 flat angles P-C4'-P energy: -2.682 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: 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: 1 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -27.491735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.491735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.491735 (E_RNA) where: Base-Base interactions energy: -6.562 where: short stacking energy: -6.562 Base-Backbone interact. energy: -0.000 local terms energy: -20.929292 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.486 flat angles P-C4'-P energy: -2.733 tors. eta vs tors. theta energy: -4.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 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: 3 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -26.828109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.828109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.828109 (E_RNA) where: Base-Base interactions energy: -11.492 where: short stacking energy: -11.492 Base-Backbone interact. energy: -0.000 local terms energy: -15.335942 where: bonds (distance) C4'-P energy: -2.954 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -2.939 flat angles P-C4'-P energy: -0.871 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: 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: -24.689433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.689433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.689433 (E_RNA) where: Base-Base interactions energy: -9.449 where: short stacking energy: -9.449 Base-Backbone interact. energy: -0.000 local terms energy: -15.240181 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -1.087 flat angles P-C4'-P energy: -2.936 tors. eta vs tors. theta energy: -2.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -24.450361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.450361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.450361 (E_RNA) where: Base-Base interactions energy: -5.949 where: short stacking energy: -5.949 Base-Backbone interact. energy: -0.000 local terms energy: -18.501405 where: bonds (distance) C4'-P energy: -3.430 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.190 flat angles P-C4'-P energy: -2.040 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: 7, replica: 7 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -21.259184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.259184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.259184 (E_RNA) where: Base-Base interactions energy: -5.054 where: short stacking energy: -5.054 Base-Backbone interact. energy: -0.000 local terms energy: -16.205316 where: bonds (distance) C4'-P energy: -3.479 bonds (distance) P-C4' energy: -4.057 flat angles C4'-P-C4' energy: -2.872 flat angles P-C4'-P energy: -2.738 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: 17 Temperature: 1.250000 Total energy: -21.027512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.027512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.027512 (E_RNA) where: Base-Base interactions energy: -4.098 where: short stacking energy: -4.098 Base-Backbone interact. energy: -0.001 local terms energy: -16.928827 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.184 flat angles P-C4'-P energy: -3.243 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: 9, replica: 8 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -20.160199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.160199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.160199 (E_RNA) where: Base-Base interactions energy: -3.240 where: short stacking energy: -3.240 Base-Backbone interact. energy: -0.001 local terms energy: -16.919856 where: bonds (distance) C4'-P energy: -4.535 bonds (distance) P-C4' energy: -4.051 flat angles C4'-P-C4' energy: -4.595 flat angles P-C4'-P energy: -2.905 tors. eta vs tors. theta energy: -0.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 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: 1 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -27.271846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.271846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.271846 (E_RNA) where: Base-Base interactions energy: -7.835 where: short stacking energy: -7.835 Base-Backbone interact. energy: -0.000 local terms energy: -19.436317 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.871 flat angles P-C4'-P energy: -2.604 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: 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: 3 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -22.939978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.939978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.939978 (E_RNA) where: Base-Base interactions energy: -7.082 where: short stacking energy: -7.082 Base-Backbone interact. energy: -0.001 local terms energy: -15.857228 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.851 flat angles P-C4'-P energy: -1.770 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: 5, replica: 6 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -21.896603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.896603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.896603 (E_RNA) where: Base-Base interactions energy: -7.691 where: short stacking energy: -7.691 Base-Backbone interact. energy: -0.001 local terms energy: -14.204272 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -2.116 flat angles P-C4'-P energy: -1.322 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: 6, replica: 10 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -23.261936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.261936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.261936 (E_RNA) where: Base-Base interactions energy: -7.185 where: short stacking energy: -7.185 Base-Backbone interact. energy: -0.000 local terms energy: -16.076529 where: bonds (distance) C4'-P energy: -3.637 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.627 flat angles P-C4'-P energy: -2.307 tors. eta vs tors. theta energy: -1.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -22.855695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.855695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.855695 (E_RNA) where: Base-Base interactions energy: -6.154 where: short stacking energy: -6.154 Base-Backbone interact. energy: -0.000 local terms energy: -16.701817 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.435 flat angles P-C4'-P energy: -3.573 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: 8, replica: 7 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -23.294461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.294461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.294461 (E_RNA) where: Base-Base interactions energy: -5.338 where: short stacking energy: -5.338 Base-Backbone interact. energy: -0.000 local terms energy: -17.955695 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.224 flat angles P-C4'-P energy: -3.027 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: 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: 8 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -20.176265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.176265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.176265 (E_RNA) where: Base-Base interactions energy: -3.269 where: short stacking energy: -3.269 Base-Backbone interact. energy: -0.097 local terms energy: -16.810728 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.695 flat angles P-C4'-P energy: -1.711 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: 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: 1 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -24.453920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.453920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.453920 (E_RNA) where: Base-Base interactions energy: -7.625 where: short stacking energy: -7.625 Base-Backbone interact. energy: -0.011 local terms energy: -16.817884 where: bonds (distance) C4'-P energy: -3.186 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.063 flat angles P-C4'-P energy: -2.678 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: 6 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -22.654146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.654146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.654146 (E_RNA) where: Base-Base interactions energy: -7.755 where: short stacking energy: -7.755 Base-Backbone interact. energy: -0.000 local terms energy: -14.898553 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.170 flat angles P-C4'-P energy: -0.773 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: 5, replica: 3 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -23.289489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.289489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.289489 (E_RNA) where: Base-Base interactions energy: -8.479 where: short stacking energy: -8.479 Base-Backbone interact. energy: -0.455 local terms energy: -14.355602 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -4.202 flat angles P-C4'-P energy: -1.957 tors. eta vs tors. theta energy: -0.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -21.771217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.771217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.771217 (E_RNA) where: Base-Base interactions energy: -8.775 where: short stacking energy: -8.775 Base-Backbone interact. energy: -0.001 local terms energy: -12.995161 where: bonds (distance) C4'-P energy: -2.121 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.361 flat angles P-C4'-P energy: -2.777 tors. eta vs tors. theta energy: 0.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -26.567251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.567251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.567251 (E_RNA) where: Base-Base interactions energy: -7.521 where: short stacking energy: -7.521 Base-Backbone interact. energy: -0.012 local terms energy: -19.034151 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.466 flat angles P-C4'-P energy: -3.555 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: 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: 7 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -22.135001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.135001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.135001 (E_RNA) where: Base-Base interactions energy: -3.413 where: short stacking energy: -3.413 Base-Backbone interact. energy: -0.152 local terms energy: -18.570135 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.883 flat angles P-C4'-P energy: -3.862 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: 10, replica: 8 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -22.791045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.791045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.791045 (E_RNA) where: Base-Base interactions energy: -6.599 where: short stacking energy: -6.599 Base-Backbone interact. energy: -0.053 local terms energy: -16.138641 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -2.348 flat angles C4'-P-C4' energy: -4.633 flat angles P-C4'-P energy: -2.809 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: 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: 6 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -24.176615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.176615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.176615 (E_RNA) where: Base-Base interactions energy: -8.415 where: short stacking energy: -8.415 Base-Backbone interact. energy: -0.000 local terms energy: -15.761102 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -4.110 flat angles C4'-P-C4' energy: -3.046 flat angles P-C4'-P energy: -2.593 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: 4, replica: 1 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -25.483778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.483778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.483778 (E_RNA) where: Base-Base interactions energy: -10.667 where: short stacking energy: -11.528 Base-Backbone interact. energy: -0.003 local terms energy: -14.814363 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -3.628 flat angles C4'-P-C4' energy: -4.644 flat angles P-C4'-P energy: -1.204 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: 5, replica: 9 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -25.543209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.543209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.543209 (E_RNA) where: Base-Base interactions energy: -10.934 where: short stacking energy: -10.934 Base-Backbone interact. energy: -0.000 local terms energy: -14.608747 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -3.885 flat angles C4'-P-C4' energy: -1.654 flat angles P-C4'-P energy: -2.421 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: 6, replica: 3 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -23.704645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.704645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.704645 (E_RNA) where: Base-Base interactions energy: -8.191 where: short stacking energy: -8.676 Base-Backbone interact. energy: -0.000 local terms energy: -15.512903 where: bonds (distance) C4'-P energy: -2.383 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.940 flat angles P-C4'-P energy: -2.171 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: 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: 10 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -23.044363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.044363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.044363 (E_RNA) where: Base-Base interactions energy: -7.720 where: short stacking energy: -7.720 Base-Backbone interact. energy: -0.000 local terms energy: -15.324437 where: bonds (distance) C4'-P energy: -3.683 bonds (distance) P-C4' energy: -3.751 flat angles C4'-P-C4' energy: -1.643 flat angles P-C4'-P energy: -3.304 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: 9, replica: 8 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -21.744019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.744019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.744019 (E_RNA) where: Base-Base interactions energy: -5.751 where: short stacking energy: -5.751 Base-Backbone interact. energy: -0.000 local terms energy: -15.993087 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.023 flat angles P-C4'-P energy: 0.040 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: 10, replica: 7 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -20.134978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.134978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.134978 (E_RNA) where: Base-Base interactions energy: -3.712 where: short stacking energy: -3.712 Base-Backbone interact. energy: -0.000 local terms energy: -16.422974 where: bonds (distance) C4'-P energy: -2.704 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.608 flat angles P-C4'-P energy: -3.691 tors. eta vs tors. theta energy: -0.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 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: 6 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -23.655328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.655328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.655328 (E_RNA) where: Base-Base interactions energy: -6.926 where: short stacking energy: -6.926 Base-Backbone interact. energy: -0.004 local terms energy: -16.725107 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.111 flat angles P-C4'-P energy: -3.123 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: 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: 9 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -21.853264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.853264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.853264 (E_RNA) where: Base-Base interactions energy: -3.761 where: short stacking energy: -3.761 Base-Backbone interact. energy: -0.069 local terms energy: -18.023891 where: bonds (distance) C4'-P energy: -2.928 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -4.525 flat angles P-C4'-P energy: -3.922 tors. eta vs tors. theta energy: -1.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -26.061210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.061210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.061210 (E_RNA) where: Base-Base interactions energy: -7.919 where: short stacking energy: -7.919 Base-Backbone interact. energy: -0.000 local terms energy: -18.141705 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.184 flat angles P-C4'-P energy: -1.862 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: 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: 3 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -23.864866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.864866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.864866 (E_RNA) where: Base-Base interactions energy: -7.383 where: short stacking energy: -7.383 Base-Backbone interact. energy: -0.000 local terms energy: -16.481153 where: bonds (distance) C4'-P energy: -3.673 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.220 flat angles P-C4'-P energy: -1.340 tors. eta vs tors. theta energy: -2.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -24.983352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.983352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.983352 (E_RNA) where: Base-Base interactions energy: -7.676 where: short stacking energy: -7.676 Base-Backbone interact. energy: -0.088 local terms energy: -17.220162 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.336 flat angles C4'-P-C4' energy: -3.598 flat angles P-C4'-P energy: -2.729 tors. eta vs tors. theta energy: -2.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -21.209534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.209534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.209534 (E_RNA) where: Base-Base interactions energy: -3.922 where: short stacking energy: -3.922 Base-Backbone interact. energy: -0.000 local terms energy: -17.287223 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.638 flat angles P-C4'-P energy: -3.195 tors. eta vs tors. theta energy: -1.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -19.240791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.240791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.240791 (E_RNA) where: Base-Base interactions energy: -4.375 where: short stacking energy: -4.375 Base-Backbone interact. energy: -0.000 local terms energy: -14.865999 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.684 flat angles P-C4'-P energy: -1.742 tors. eta vs tors. theta energy: 0.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -30.118218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.118218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.118218 (E_RNA) where: Base-Base interactions energy: -11.187 where: short stacking energy: -11.187 Base-Backbone interact. energy: -0.000 local terms energy: -18.930941 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.434 flat angles P-C4'-P energy: -3.258 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: 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: 9 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -26.244319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.244319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.244319 (E_RNA) where: Base-Base interactions energy: -8.521 where: short stacking energy: -8.521 Base-Backbone interact. energy: -0.000 local terms energy: -17.723151 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.417 flat angles P-C4'-P energy: -1.452 tors. eta vs tors. theta energy: -2.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 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: 1 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -23.797565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.797565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.797565 (E_RNA) where: Base-Base interactions energy: -9.585 where: short stacking energy: -9.585 Base-Backbone interact. energy: -0.022 local terms energy: -14.190686 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -3.128 flat angles C4'-P-C4' energy: -4.309 flat angles P-C4'-P energy: -1.942 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: 6, replica: 2 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -23.623441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.623441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.623441 (E_RNA) where: Base-Base interactions energy: -6.084 where: short stacking energy: -6.084 Base-Backbone interact. energy: -0.004 local terms energy: -17.535493 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.219 flat angles P-C4'-P energy: -3.104 tors. eta vs tors. theta energy: -0.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -21.256204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.256204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.256204 (E_RNA) where: Base-Base interactions energy: -3.937 where: short stacking energy: -3.937 Base-Backbone interact. energy: -0.099 local terms energy: -17.220116 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.969 flat angles P-C4'-P energy: -2.337 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: 8, replica: 3 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -23.602910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.602910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.602910 (E_RNA) where: Base-Base interactions energy: -7.548 where: short stacking energy: -7.548 Base-Backbone interact. energy: -0.054 local terms energy: -16.000577 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.689 flat angles P-C4'-P energy: -3.300 tors. eta vs tors. theta energy: 0.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -21.111178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.111178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.111178 (E_RNA) where: Base-Base interactions energy: -5.873 where: short stacking energy: -5.873 Base-Backbone interact. energy: -0.000 local terms energy: -15.238021 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.307 flat angles P-C4'-P energy: -2.501 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: 10 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -21.101992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.101992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.101992 (E_RNA) where: Base-Base interactions energy: -3.637 where: short stacking energy: -3.637 Base-Backbone interact. energy: -0.021 local terms energy: -17.443807 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.341 flat angles P-C4'-P energy: -3.750 tors. eta vs tors. theta energy: -0.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -25.243646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.243646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.243646 (E_RNA) where: Base-Base interactions energy: -8.732 where: short stacking energy: -8.732 Base-Backbone interact. energy: -0.054 local terms energy: -16.457796 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.813 flat angles P-C4'-P energy: -2.953 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: 2, replica: 9 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -26.184838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.184838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.184838 (E_RNA) where: Base-Base interactions energy: -10.388 where: short stacking energy: -10.388 Base-Backbone interact. energy: -0.008 local terms energy: -15.788716 where: bonds (distance) C4'-P energy: -2.606 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -2.835 flat angles P-C4'-P energy: -3.737 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: 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: 1 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -23.282492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.282492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.282492 (E_RNA) where: Base-Base interactions energy: -6.799 where: short stacking energy: -6.799 Base-Backbone interact. energy: -0.000 local terms energy: -16.483314 where: bonds (distance) C4'-P energy: -3.202 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.173 flat angles P-C4'-P energy: -2.807 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: 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: 8 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -24.022826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.022826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.022826 (E_RNA) where: Base-Base interactions energy: -8.072 where: short stacking energy: -8.072 Base-Backbone interact. energy: -0.000 local terms energy: -15.950381 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -2.311 flat angles P-C4'-P energy: -2.918 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: 7, replica: 2 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -23.347702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.347702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.347702 (E_RNA) where: Base-Base interactions energy: -7.228 where: short stacking energy: -7.228 Base-Backbone interact. energy: -0.000 local terms energy: -16.120145 where: bonds (distance) C4'-P energy: -2.510 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -2.427 flat angles P-C4'-P energy: -2.771 tors. eta vs tors. theta energy: -3.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -21.012631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.012631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.012631 (E_RNA) where: Base-Base interactions energy: -6.588 where: short stacking energy: -6.588 Base-Backbone interact. energy: -0.051 local terms energy: -14.374281 where: bonds (distance) C4'-P energy: -1.090 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.046 flat angles P-C4'-P energy: -1.683 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: 9, replica: 3 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -20.689060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.689060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.689060 (E_RNA) where: Base-Base interactions energy: -5.412 where: short stacking energy: -5.412 Base-Backbone interact. energy: -0.000 local terms energy: -15.276923 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -2.460 flat angles P-C4'-P energy: -2.772 tors. eta vs tors. theta energy: -0.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -22.108520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.108520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.108520 (E_RNA) where: Base-Base interactions energy: -4.804 where: short stacking energy: -4.804 Base-Backbone interact. energy: -0.000 local terms energy: -17.304776 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -4.200 flat angles P-C4'-P energy: -1.586 tors. eta vs tors. theta energy: -2.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -29.041449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.041449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.041449 (E_RNA) where: Base-Base interactions energy: -10.557 where: short stacking energy: -10.557 Base-Backbone interact. energy: -0.001 local terms energy: -18.483736 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.755 flat angles C4'-P-C4' energy: -3.395 flat angles P-C4'-P energy: -3.930 tors. eta vs tors. theta energy: -3.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -25.247327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.247327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.247327 (E_RNA) where: Base-Base interactions energy: -7.003 where: short stacking energy: -7.003 Base-Backbone interact. energy: -0.001 local terms energy: -18.243843 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.013 flat angles P-C4'-P energy: -3.928 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: 3, replica: 1 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -23.841462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.841462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.841462 (E_RNA) where: Base-Base interactions energy: -8.917 where: short stacking energy: -8.917 Base-Backbone interact. energy: -0.018 local terms energy: -14.905977 where: bonds (distance) C4'-P energy: -3.384 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.955 flat angles P-C4'-P energy: -2.207 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: 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: 8 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -25.336944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.336944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.336944 (E_RNA) where: Base-Base interactions energy: -7.610 where: short stacking energy: -7.610 Base-Backbone interact. energy: -0.000 local terms energy: -17.726503 where: bonds (distance) C4'-P energy: -3.479 bonds (distance) P-C4' energy: -3.984 flat angles C4'-P-C4' energy: -4.629 flat angles P-C4'-P energy: -3.569 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: 4 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -26.101619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.101619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.101619 (E_RNA) where: Base-Base interactions energy: -7.983 where: short stacking energy: -7.983 Base-Backbone interact. energy: -0.000 local terms energy: -18.118538 where: bonds (distance) C4'-P energy: -2.689 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.452 flat angles P-C4'-P energy: -2.450 tors. eta vs tors. theta energy: -3.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -25.354490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.354490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.354490 (E_RNA) where: Base-Base interactions energy: -7.820 where: short stacking energy: -7.820 Base-Backbone interact. energy: -0.000 local terms energy: -17.534373 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.218 flat angles P-C4'-P energy: -3.966 tors. eta vs tors. theta energy: 0.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -21.325030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.325030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.325030 (E_RNA) where: Base-Base interactions energy: -3.932 where: short stacking energy: -3.932 Base-Backbone interact. energy: -0.000 local terms energy: -17.393228 where: bonds (distance) C4'-P energy: -3.673 bonds (distance) P-C4' energy: -3.544 flat angles C4'-P-C4' energy: -3.924 flat angles P-C4'-P energy: -3.205 tors. eta vs tors. theta energy: -3.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -23.875153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.875153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.875153 (E_RNA) where: Base-Base interactions energy: -8.884 where: short stacking energy: -8.884 Base-Backbone interact. energy: -0.000 local terms energy: -14.991579 where: bonds (distance) C4'-P energy: -2.154 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -2.600 flat angles P-C4'-P energy: -0.681 tors. eta vs tors. theta energy: -4.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -22.605916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.605916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.605916 (E_RNA) where: Base-Base interactions energy: -5.482 where: short stacking energy: -5.482 Base-Backbone interact. energy: -0.000 local terms energy: -17.124361 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -3.103 flat angles C4'-P-C4' energy: -3.890 flat angles P-C4'-P energy: -2.649 tors. eta vs tors. theta energy: -3.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -27.848541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.848541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.848541 (E_RNA) where: Base-Base interactions energy: -9.122 where: short stacking energy: -9.122 Base-Backbone interact. energy: 0.035 local terms energy: -18.761986 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.154 flat angles P-C4'-P energy: -2.865 tors. eta vs tors. theta energy: -2.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -28.160913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.160913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.160913 (E_RNA) where: Base-Base interactions energy: -10.797 where: short stacking energy: -10.797 Base-Backbone interact. energy: -0.000 local terms energy: -17.363626 where: bonds (distance) C4'-P energy: -3.185 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.822 flat angles P-C4'-P energy: -2.590 tors. eta vs tors. theta energy: -3.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -26.201469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.201469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.201469 (E_RNA) where: Base-Base interactions energy: -11.252 where: short stacking energy: -11.252 Base-Backbone interact. energy: -0.000 local terms energy: -14.949897 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -3.128 flat angles C4'-P-C4' energy: -2.389 flat angles P-C4'-P energy: -3.108 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: 4, replica: 8 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -26.242281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.242281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.242281 (E_RNA) where: Base-Base interactions energy: -8.382 where: short stacking energy: -8.382 Base-Backbone interact. energy: -0.055 local terms energy: -17.804893 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.553 flat angles P-C4'-P energy: -2.972 tors. eta vs tors. theta energy: -3.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 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: 7 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -27.143459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.143459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.143459 (E_RNA) where: Base-Base interactions energy: -7.143 where: short stacking energy: -7.143 Base-Backbone interact. energy: -0.041 local terms energy: -19.959288 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -4.572 flat angles C4'-P-C4' energy: -4.398 flat angles P-C4'-P energy: -4.139 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: 4 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -21.429705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.429705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.429705 (E_RNA) where: Base-Base interactions energy: -7.973 where: short stacking energy: -7.973 Base-Backbone interact. energy: -0.066 local terms energy: -13.390106 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -3.785 flat angles P-C4'-P energy: -1.631 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: 8, replica: 10 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -20.651877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.651877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.651877 (E_RNA) where: Base-Base interactions energy: -3.184 where: short stacking energy: -3.184 Base-Backbone interact. energy: -0.099 local terms energy: -17.369282 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -4.842 flat angles C4'-P-C4' energy: -4.905 flat angles P-C4'-P energy: -3.747 tors. eta vs tors. theta energy: 0.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -21.047349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.047349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.047349 (E_RNA) where: Base-Base interactions energy: -3.848 where: short stacking energy: -3.848 Base-Backbone interact. energy: -0.185 local terms energy: -17.013772 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.089 flat angles P-C4'-P energy: -2.819 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: 10, replica: 3 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -19.687023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.687023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.687023 (E_RNA) where: Base-Base interactions energy: -6.736 where: short stacking energy: -6.736 Base-Backbone interact. energy: -0.098 local terms energy: -12.852908 where: bonds (distance) C4'-P energy: -3.070 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -1.665 flat angles P-C4'-P energy: -4.083 tors. eta vs tors. theta energy: 0.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -23.954990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.954990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.954990 (E_RNA) where: Base-Base interactions energy: -8.108 where: short stacking energy: -8.108 Base-Backbone interact. energy: -0.000 local terms energy: -15.846649 where: bonds (distance) C4'-P energy: -3.277 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.969 flat angles P-C4'-P energy: -0.480 tors. eta vs tors. theta energy: -2.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -24.946284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.946284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.946284 (E_RNA) where: Base-Base interactions energy: -6.775 where: short stacking energy: -6.911 Base-Backbone interact. energy: -0.000 local terms energy: -18.171179 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -3.532 flat angles C4'-P-C4' energy: -4.430 flat angles P-C4'-P energy: -2.739 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: 3, replica: 8 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -26.729572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.729572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.729572 (E_RNA) where: Base-Base interactions energy: -9.043 where: short stacking energy: -9.043 Base-Backbone interact. energy: -0.000 local terms energy: -17.686546 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -3.128 flat angles C4'-P-C4' energy: -3.867 flat angles P-C4'-P energy: -3.489 tors. eta vs tors. theta energy: -3.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -29.593476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.593476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.593476 (E_RNA) where: Base-Base interactions energy: -11.222 where: short stacking energy: -11.222 Base-Backbone interact. energy: -0.000 local terms energy: -18.371377 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.430 flat angles P-C4'-P energy: -2.435 tors. eta vs tors. theta energy: -2.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -24.849839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.849839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.849839 (E_RNA) where: Base-Base interactions energy: -6.938 where: short stacking energy: -7.094 Base-Backbone interact. energy: -0.000 local terms energy: -17.911333 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -3.981 flat angles C4'-P-C4' energy: -4.083 flat angles P-C4'-P energy: -2.526 tors. eta vs tors. theta energy: -3.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 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: 10 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -24.437094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.437094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.437094 (E_RNA) where: Base-Base interactions energy: -8.057 where: short stacking energy: -8.057 Base-Backbone interact. energy: -0.000 local terms energy: -16.380321 where: bonds (distance) C4'-P energy: -3.683 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.014 flat angles P-C4'-P energy: -2.201 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: 26 Temperature: 1.250000 Total energy: -18.862314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.862314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.862314 (E_RNA) where: Base-Base interactions energy: -3.064 where: short stacking energy: -3.064 Base-Backbone interact. energy: -0.010 local terms energy: -15.788529 where: bonds (distance) C4'-P energy: -3.430 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.886 flat angles P-C4'-P energy: -3.689 tors. eta vs tors. theta energy: -0.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -21.153737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.153737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.153737 (E_RNA) where: Base-Base interactions energy: -4.241 where: short stacking energy: -4.241 Base-Backbone interact. energy: -0.004 local terms energy: -16.909411 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -3.289 flat angles P-C4'-P energy: -3.890 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: 10, replica: 2 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -23.359619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.359619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.359619 (E_RNA) where: Base-Base interactions energy: -10.141 where: short stacking energy: -10.141 Base-Backbone interact. energy: -0.000 local terms energy: -13.218198 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -3.004 flat angles P-C4'-P energy: -0.654 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: 1, replica: 1 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -28.587309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.587309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.587309 (E_RNA) where: Base-Base interactions energy: -11.599 where: short stacking energy: -11.599 Base-Backbone interact. energy: -0.015 local terms energy: -16.974112 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -3.202 flat angles C4'-P-C4' energy: -4.364 flat angles P-C4'-P energy: -3.273 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: 8 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -25.883187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.883187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.883187 (E_RNA) where: Base-Base interactions energy: -8.244 where: short stacking energy: -8.244 Base-Backbone interact. energy: -0.000 local terms energy: -17.639247 where: bonds (distance) C4'-P energy: -3.433 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.779 flat angles P-C4'-P energy: -0.729 tors. eta vs tors. theta energy: -4.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -22.188094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.188094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.188094 (E_RNA) where: Base-Base interactions energy: -5.838 where: short stacking energy: -5.838 Base-Backbone interact. energy: -0.012 local terms energy: -16.338110 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.594 flat angles P-C4'-P energy: -2.498 tors. eta vs tors. theta energy: -0.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -22.632871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.632871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.632871 (E_RNA) where: Base-Base interactions energy: -3.558 where: short stacking energy: -3.558 Base-Backbone interact. energy: -0.371 local terms energy: -18.703727 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.318 flat angles P-C4'-P energy: -3.166 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: 5, replica: 6 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -22.252006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.252006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.252006 (E_RNA) where: Base-Base interactions energy: -7.716 where: short stacking energy: -7.716 Base-Backbone interact. energy: -0.096 local terms energy: -14.439322 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -3.546 flat angles P-C4'-P energy: -2.979 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: 10 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -25.987379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.987379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.987379 (E_RNA) where: Base-Base interactions energy: -7.506 where: short stacking energy: -7.506 Base-Backbone interact. energy: -0.000 local terms energy: -18.481385 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.746 flat angles P-C4'-P energy: -0.764 tors. eta vs tors. theta energy: -3.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 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: 3 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -22.085033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.085033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.085033 (E_RNA) where: Base-Base interactions energy: -5.793 where: short stacking energy: -5.793 Base-Backbone interact. energy: -0.000 local terms energy: -16.291956 where: bonds (distance) C4'-P energy: -2.164 bonds (distance) P-C4' energy: -4.867 flat angles C4'-P-C4' energy: -3.482 flat angles P-C4'-P energy: -1.360 tors. eta vs tors. theta energy: -4.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -24.987818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.987818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.987818 (E_RNA) where: Base-Base interactions energy: -8.216 where: short stacking energy: -8.216 Base-Backbone interact. energy: -0.010 local terms energy: -16.762327 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.272 flat angles P-C4'-P energy: -2.598 tors. eta vs tors. theta energy: -1.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -21.877930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.877930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.877930 (E_RNA) where: Base-Base interactions energy: -9.827 where: short stacking energy: -9.827 Base-Backbone interact. energy: -0.000 local terms energy: -12.050282 where: bonds (distance) C4'-P energy: -1.400 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.377 flat angles P-C4'-P energy: -0.816 tors. eta vs tors. theta energy: -1.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -25.617213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.617213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.617213 (E_RNA) where: Base-Base interactions energy: -5.576 where: short stacking energy: -5.576 Base-Backbone interact. energy: -0.000 local terms energy: -20.041191 where: bonds (distance) C4'-P energy: -3.194 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -4.080 flat angles P-C4'-P energy: -3.241 tors. eta vs tors. theta energy: -5.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -30.141700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.141700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.141700 (E_RNA) where: Base-Base interactions energy: -11.913 where: short stacking energy: -11.913 Base-Backbone interact. energy: -0.001 local terms energy: -18.228002 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.503 flat angles P-C4'-P energy: -3.433 tors. eta vs tors. theta energy: -2.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -28.638304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.638304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.638304 (E_RNA) where: Base-Base interactions energy: -9.831 where: short stacking energy: -9.831 Base-Backbone interact. energy: -0.000 local terms energy: -18.807326 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.665 flat angles P-C4'-P energy: -2.131 tors. eta vs tors. theta energy: -4.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -29.830376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.830376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.830376 (E_RNA) where: Base-Base interactions energy: -11.522 where: short stacking energy: -11.522 Base-Backbone interact. energy: -0.000 local terms energy: -18.307965 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -3.537 flat angles P-C4'-P energy: -2.888 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: 5, replica: 10 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -27.230341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.230341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.230341 (E_RNA) where: Base-Base interactions energy: -9.905 where: short stacking energy: -9.905 Base-Backbone interact. energy: -0.000 local terms energy: -17.325191 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -1.904 flat angles P-C4'-P energy: -2.421 tors. eta vs tors. theta energy: -3.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -21.053269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.053269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.053269 (E_RNA) where: Base-Base interactions energy: -6.642 where: short stacking energy: -6.642 Base-Backbone interact. energy: -0.001 local terms energy: -14.411103 where: bonds (distance) C4'-P energy: -1.562 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.093 flat angles P-C4'-P energy: -2.796 tors. eta vs tors. theta energy: -2.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -25.300907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.300907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.300907 (E_RNA) where: Base-Base interactions energy: -7.266 where: short stacking energy: -7.266 Base-Backbone interact. energy: -0.000 local terms energy: -18.035063 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.889 flat angles C4'-P-C4' energy: -4.648 flat angles P-C4'-P energy: -2.838 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: 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: 4 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -20.003054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.003054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.003054 (E_RNA) where: Base-Base interactions energy: -5.257 where: short stacking energy: -5.407 Base-Backbone interact. energy: -0.010 local terms energy: -14.736214 where: bonds (distance) C4'-P energy: -2.105 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.485 flat angles P-C4'-P energy: -3.797 tors. eta vs tors. theta energy: -0.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -20.381504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.381504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.381504 (E_RNA) where: Base-Base interactions energy: -3.509 where: short stacking energy: -3.509 Base-Backbone interact. energy: -0.000 local terms energy: -16.872606 where: bonds (distance) C4'-P energy: -2.983 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -2.407 flat angles P-C4'-P energy: -3.316 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: 1, replica: 8 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -29.975649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.975649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.975649 (E_RNA) where: Base-Base interactions energy: -10.476 where: short stacking energy: -10.476 Base-Backbone interact. energy: -0.000 local terms energy: -19.500135 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.271 flat angles P-C4'-P energy: -2.449 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: 2, replica: 7 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -28.183649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.183649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.183649 (E_RNA) where: Base-Base interactions energy: -9.234 where: short stacking energy: -9.234 Base-Backbone interact. energy: -0.000 local terms energy: -18.949702 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.575 flat angles C4'-P-C4' energy: -3.684 flat angles P-C4'-P energy: -3.873 tors. eta vs tors. theta energy: -2.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -25.893170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.893170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.893170 (E_RNA) where: Base-Base interactions energy: -10.822 where: short stacking energy: -10.969 Base-Backbone interact. energy: -0.001 local terms energy: -15.069555 where: bonds (distance) C4'-P energy: -3.268 bonds (distance) P-C4' energy: -2.327 flat angles C4'-P-C4' energy: -3.598 flat angles P-C4'-P energy: -3.394 tors. eta vs tors. theta energy: -2.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -23.023827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.023827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.023827 (E_RNA) where: Base-Base interactions energy: -5.638 where: short stacking energy: -6.031 Base-Backbone interact. energy: -0.026 local terms energy: -17.359433 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -4.205 flat angles C4'-P-C4' energy: -3.917 flat angles P-C4'-P energy: -3.008 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: 5, replica: 9 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -23.747728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.747728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.747728 (E_RNA) where: Base-Base interactions energy: -7.316 where: short stacking energy: -7.316 Base-Backbone interact. energy: -0.002 local terms energy: -16.430352 where: bonds (distance) C4'-P energy: -2.697 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.924 flat angles P-C4'-P energy: -2.670 tors. eta vs tors. theta energy: -2.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -24.253187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.253187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.253187 (E_RNA) where: Base-Base interactions energy: -7.800 where: short stacking energy: -7.800 Base-Backbone interact. energy: -0.000 local terms energy: -16.453652 where: bonds (distance) C4'-P energy: -1.795 bonds (distance) P-C4' energy: -4.413 flat angles C4'-P-C4' energy: -3.746 flat angles P-C4'-P energy: -3.036 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: 7, replica: 3 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -24.732961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.732961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.732961 (E_RNA) where: Base-Base interactions energy: -5.088 where: short stacking energy: -5.088 Base-Backbone interact. energy: -0.000 local terms energy: -19.644799 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -3.987 flat angles C4'-P-C4' energy: -4.243 flat angles P-C4'-P energy: -3.104 tors. eta vs tors. theta energy: -3.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -27.383535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.383535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.383535 (E_RNA) where: Base-Base interactions energy: -10.823 where: short stacking energy: -10.823 Base-Backbone interact. energy: -0.000 local terms energy: -16.559843 where: bonds (distance) C4'-P energy: -3.673 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.786 flat angles P-C4'-P energy: -2.109 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: 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: 2 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -20.640525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.640525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.640525 (E_RNA) where: Base-Base interactions energy: -4.722 where: short stacking energy: -4.722 Base-Backbone interact. energy: -0.000 local terms energy: -15.917826 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.624 flat angles P-C4'-P energy: -3.319 tors. eta vs tors. theta energy: -0.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -27.704772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.704772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.704772 (E_RNA) where: Base-Base interactions energy: -7.942 where: short stacking energy: -7.942 Base-Backbone interact. energy: -0.000 local terms energy: -19.762568 where: bonds (distance) C4'-P energy: -4.279 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.584 flat angles P-C4'-P energy: -3.759 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: 2, replica: 8 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -26.367170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.367170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.367170 (E_RNA) where: Base-Base interactions energy: -7.618 where: short stacking energy: -7.618 Base-Backbone interact. energy: -0.000 local terms energy: -18.748766 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.344 flat angles P-C4'-P energy: -2.429 tors. eta vs tors. theta energy: -3.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -26.433342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.433342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.433342 (E_RNA) where: Base-Base interactions energy: -8.098 where: short stacking energy: -8.098 Base-Backbone interact. energy: -0.010 local terms energy: -18.325186 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.161 flat angles P-C4'-P energy: -2.342 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: 4, replica: 1 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -23.109750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.109750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.109750 (E_RNA) where: Base-Base interactions energy: -5.941 where: short stacking energy: -5.941 Base-Backbone interact. energy: -0.050 local terms energy: -17.117791 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -3.709 flat angles P-C4'-P energy: -3.211 tors. eta vs tors. theta energy: -1.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -24.389903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.389903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.389903 (E_RNA) where: Base-Base interactions energy: -7.860 where: short stacking energy: -7.860 Base-Backbone interact. energy: -0.000 local terms energy: -16.530114 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.793 flat angles P-C4'-P energy: -2.601 tors. eta vs tors. theta energy: -1.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -22.146357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.146357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.146357 (E_RNA) where: Base-Base interactions energy: -8.145 where: short stacking energy: -8.341 Base-Backbone interact. energy: -0.007 local terms energy: -13.994060 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -3.605 flat angles P-C4'-P energy: -3.156 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: 4 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -24.239178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.239178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.239178 (E_RNA) where: Base-Base interactions energy: -7.478 where: short stacking energy: -7.478 Base-Backbone interact. energy: -0.000 local terms energy: -16.761302 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -2.407 flat angles P-C4'-P energy: -3.143 tors. eta vs tors. theta energy: -2.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -20.957457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.957457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.957457 (E_RNA) where: Base-Base interactions energy: -7.298 where: short stacking energy: -7.298 Base-Backbone interact. energy: -0.001 local terms energy: -13.658446 where: bonds (distance) C4'-P energy: -3.567 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.149 flat angles P-C4'-P energy: -1.648 tors. eta vs tors. theta energy: -0.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -19.749707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.749707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.749707 (E_RNA) where: Base-Base interactions energy: -6.688 where: short stacking energy: -6.688 Base-Backbone interact. energy: -0.000 local terms energy: -13.061068 where: bonds (distance) C4'-P energy: -2.201 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -1.603 flat angles P-C4'-P energy: -2.105 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: 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: 7 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -29.636845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.636845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.636845 (E_RNA) where: Base-Base interactions energy: -11.035 where: short stacking energy: -11.035 Base-Backbone interact. energy: -0.000 local terms energy: -18.601565 where: bonds (distance) C4'-P energy: -2.838 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.580 flat angles P-C4'-P energy: -3.794 tors. eta vs tors. theta energy: -2.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -24.033439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.033439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.033439 (E_RNA) where: Base-Base interactions energy: -5.537 where: short stacking energy: -5.537 Base-Backbone interact. energy: -0.001 local terms energy: -18.495474 where: bonds (distance) C4'-P energy: -4.311 bonds (distance) P-C4' energy: -3.781 flat angles C4'-P-C4' energy: -3.518 flat angles P-C4'-P energy: -2.221 tors. eta vs tors. theta energy: -4.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -24.388240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.388240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.388240 (E_RNA) where: Base-Base interactions energy: -8.016 where: short stacking energy: -8.016 Base-Backbone interact. energy: -0.000 local terms energy: -16.372320 where: bonds (distance) C4'-P energy: -2.846 bonds (distance) P-C4' energy: -4.373 flat angles C4'-P-C4' energy: -4.367 flat angles P-C4'-P energy: -2.503 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: 4, replica: 1 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -28.045280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.045280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.045280 (E_RNA) where: Base-Base interactions energy: -7.900 where: short stacking energy: -7.900 Base-Backbone interact. energy: -0.000 local terms energy: -20.145096 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.751 flat angles P-C4'-P energy: -3.850 tors. eta vs tors. theta energy: -2.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -23.686405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.686405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.686405 (E_RNA) where: Base-Base interactions energy: -7.927 where: short stacking energy: -7.927 Base-Backbone interact. energy: -0.010 local terms energy: -15.749563 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.021 flat angles P-C4'-P energy: -3.287 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: 6, replica: 4 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -21.991577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.991577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.991577 (E_RNA) where: Base-Base interactions energy: -7.642 where: short stacking energy: -7.642 Base-Backbone interact. energy: -0.000 local terms energy: -14.349880 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.219 flat angles P-C4'-P energy: 0.715 tors. eta vs tors. theta energy: -1.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -20.957303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.957303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.957303 (E_RNA) where: Base-Base interactions energy: -5.370 where: short stacking energy: -5.370 Base-Backbone interact. energy: -0.003 local terms energy: -15.584243 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -3.588 flat angles C4'-P-C4' energy: -4.905 flat angles P-C4'-P energy: -2.617 tors. eta vs tors. theta energy: -0.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -22.310277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.310277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.310277 (E_RNA) where: Base-Base interactions energy: -4.333 where: short stacking energy: -4.333 Base-Backbone interact. energy: -0.097 local terms energy: -17.880294 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -4.604 flat angles P-C4'-P energy: -2.822 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: 9, replica: 3 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -23.268537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.268537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.268537 (E_RNA) where: Base-Base interactions energy: -6.105 where: short stacking energy: -6.105 Base-Backbone interact. energy: -0.000 local terms energy: -17.164019 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -3.889 flat angles C4'-P-C4' energy: -3.710 flat angles P-C4'-P energy: -3.139 tors. eta vs tors. theta energy: -2.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 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: 10 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -29.708565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.708565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.708565 (E_RNA) where: Base-Base interactions energy: -12.137 where: short stacking energy: -12.137 Base-Backbone interact. energy: -0.001 local terms energy: -17.569887 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -3.100 flat angles C4'-P-C4' energy: -4.468 flat angles P-C4'-P energy: -3.132 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: 2, replica: 7 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -27.757305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.757305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.757305 (E_RNA) where: Base-Base interactions energy: -10.243 where: short stacking energy: -10.243 Base-Backbone interact. energy: -0.003 local terms energy: -17.511150 where: bonds (distance) C4'-P energy: -3.277 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -3.395 flat angles P-C4'-P energy: -3.358 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: 3, replica: 1 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -24.966303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.966303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.966303 (E_RNA) where: Base-Base interactions energy: -6.862 where: short stacking energy: -6.862 Base-Backbone interact. energy: -0.196 local terms energy: -17.907983 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -3.265 flat angles C4'-P-C4' energy: -4.368 flat angles P-C4'-P energy: -3.254 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: 4, replica: 8 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -25.972511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.972511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.972511 (E_RNA) where: Base-Base interactions energy: -11.488 where: short stacking energy: -11.488 Base-Backbone interact. energy: -0.000 local terms energy: -14.484457 where: bonds (distance) C4'-P energy: -3.050 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -1.225 flat angles P-C4'-P energy: -3.174 tors. eta vs tors. theta energy: -2.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -24.104151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.104151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.104151 (E_RNA) where: Base-Base interactions energy: -9.405 where: short stacking energy: -9.405 Base-Backbone interact. energy: -0.082 local terms energy: -14.616360 where: bonds (distance) C4'-P energy: -2.900 bonds (distance) P-C4' energy: -2.211 flat angles C4'-P-C4' energy: -4.328 flat angles P-C4'-P energy: -2.994 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: 6, replica: 6 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -24.237961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.237961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.237961 (E_RNA) where: Base-Base interactions energy: -8.181 where: short stacking energy: -8.181 Base-Backbone interact. energy: -0.000 local terms energy: -16.057033 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.367 flat angles C4'-P-C4' energy: -2.489 flat angles P-C4'-P energy: -3.184 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: 7, replica: 2 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -22.564862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.564862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.564862 (E_RNA) where: Base-Base interactions energy: -6.612 where: short stacking energy: -6.612 Base-Backbone interact. energy: 0.130 local terms energy: -16.082784 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -3.131 flat angles C4'-P-C4' energy: -4.766 flat angles P-C4'-P energy: -3.277 tors. eta vs tors. theta energy: -0.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -22.849586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.849586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.849586 (E_RNA) where: Base-Base interactions energy: -5.793 where: short stacking energy: -5.793 Base-Backbone interact. energy: -0.000 local terms energy: -17.056453 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.475 flat angles P-C4'-P energy: -1.096 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: 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: 3 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -19.532535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.532535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.532535 (E_RNA) where: Base-Base interactions energy: -3.780 where: short stacking energy: -3.780 Base-Backbone interact. energy: -0.000 local terms energy: -15.751939 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -3.329 flat angles C4'-P-C4' energy: -4.875 flat angles P-C4'-P energy: -1.920 tors. eta vs tors. theta energy: -1.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -24.366848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.366848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.366848 (E_RNA) where: Base-Base interactions energy: -7.863 where: short stacking energy: -7.863 Base-Backbone interact. energy: -0.092 local terms energy: -16.411549 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.572 flat angles C4'-P-C4' energy: -3.231 flat angles P-C4'-P energy: -3.254 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: 2, replica: 1 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -27.740754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.740754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.740754 (E_RNA) where: Base-Base interactions energy: -10.188 where: short stacking energy: -10.188 Base-Backbone interact. energy: -0.000 local terms energy: -17.552601 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -2.723 flat angles P-C4'-P energy: -3.185 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: 7 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -25.802653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.802653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.802653 (E_RNA) where: Base-Base interactions energy: -9.205 where: short stacking energy: -9.205 Base-Backbone interact. energy: -0.018 local terms energy: -16.579394 where: bonds (distance) C4'-P energy: -2.900 bonds (distance) P-C4' energy: -4.417 flat angles C4'-P-C4' energy: -4.418 flat angles P-C4'-P energy: -3.395 tors. eta vs tors. theta energy: -1.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -21.748985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.748985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.748985 (E_RNA) where: Base-Base interactions energy: -7.171 where: short stacking energy: -7.171 Base-Backbone interact. energy: -0.001 local terms energy: -14.576670 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.148 flat angles P-C4'-P energy: -1.470 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: 5, replica: 8 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -22.081403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.081403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.081403 (E_RNA) where: Base-Base interactions energy: -8.469 where: short stacking energy: -8.469 Base-Backbone interact. energy: -0.007 local terms energy: -13.604762 where: bonds (distance) C4'-P energy: -1.323 bonds (distance) P-C4' energy: -3.036 flat angles C4'-P-C4' energy: -2.971 flat angles P-C4'-P energy: -3.234 tors. eta vs tors. theta energy: -3.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -22.725613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.725613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.725613 (E_RNA) where: Base-Base interactions energy: -8.072 where: short stacking energy: -8.072 Base-Backbone interact. energy: -0.029 local terms energy: -14.624709 where: bonds (distance) C4'-P energy: -3.301 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -3.190 flat angles P-C4'-P energy: -2.287 tors. eta vs tors. theta energy: -1.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -22.519805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.519805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.519805 (E_RNA) where: Base-Base interactions energy: -9.928 where: short stacking energy: -9.928 Base-Backbone interact. energy: -0.001 local terms energy: -12.591205 where: bonds (distance) C4'-P energy: 0.056 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.592 flat angles P-C4'-P energy: -2.504 tors. eta vs tors. theta energy: -0.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 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: 9 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -22.501221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.501221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.501221 (E_RNA) where: Base-Base interactions energy: -5.584 where: short stacking energy: -5.584 Base-Backbone interact. energy: -0.000 local terms energy: -16.917367 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -2.007 flat angles P-C4'-P energy: -2.908 tors. eta vs tors. theta energy: -2.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -23.459252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.459252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.459252 (E_RNA) where: Base-Base interactions energy: -6.914 where: short stacking energy: -6.914 Base-Backbone interact. energy: -0.178 local terms energy: -16.366897 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -3.321 flat angles C4'-P-C4' energy: -4.368 flat angles P-C4'-P energy: -2.474 tors. eta vs tors. theta energy: -1.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -22.876261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.876261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.876261 (E_RNA) where: Base-Base interactions energy: -6.591 where: short stacking energy: -6.591 Base-Backbone interact. energy: -0.007 local terms energy: -16.279200 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.123 flat angles P-C4'-P energy: -2.786 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: 10 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -23.734947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.734947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.734947 (E_RNA) where: Base-Base interactions energy: -6.547 where: short stacking energy: -6.547 Base-Backbone interact. energy: -0.027 local terms energy: -17.161333 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.272 flat angles P-C4'-P energy: -3.721 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: 3, replica: 4 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -25.441039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.441039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.441039 (E_RNA) where: Base-Base interactions energy: -7.455 where: short stacking energy: -7.455 Base-Backbone interact. energy: -0.000 local terms energy: -17.985566 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -3.890 flat angles P-C4'-P energy: -2.940 tors. eta vs tors. theta energy: -2.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -25.497467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.497467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.497467 (E_RNA) where: Base-Base interactions energy: -10.495 where: short stacking energy: -10.495 Base-Backbone interact. energy: -0.002 local terms energy: -14.999637 where: bonds (distance) C4'-P energy: -2.415 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.924 flat angles P-C4'-P energy: -2.130 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: 34 Temperature: 1.100000 Total energy: -27.421227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.421227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.421227 (E_RNA) where: Base-Base interactions energy: -7.912 where: short stacking energy: -7.912 Base-Backbone interact. energy: -0.000 local terms energy: -19.508958 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.165 flat angles P-C4'-P energy: -3.950 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: 6, replica: 8 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -23.259560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.259560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.259560 (E_RNA) where: Base-Base interactions energy: -7.129 where: short stacking energy: -7.129 Base-Backbone interact. energy: -0.000 local terms energy: -16.130112 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -3.916 flat angles C4'-P-C4' energy: -3.616 flat angles P-C4'-P energy: -1.725 tors. eta vs tors. theta energy: -2.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 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: 6 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -22.846564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.846564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.846564 (E_RNA) where: Base-Base interactions energy: -7.198 where: short stacking energy: -7.198 Base-Backbone interact. energy: -0.000 local terms energy: -15.648447 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.078 flat angles P-C4'-P energy: -2.443 tors. eta vs tors. theta energy: 0.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -21.118942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.118942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.118942 (E_RNA) where: Base-Base interactions energy: -7.148 where: short stacking energy: -7.148 Base-Backbone interact. energy: -0.000 local terms energy: -13.971110 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -1.116 flat angles P-C4'-P energy: -2.692 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: 10, replica: 9 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -22.410620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.410620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.410620 (E_RNA) where: Base-Base interactions energy: -5.245 where: short stacking energy: -5.245 Base-Backbone interact. energy: -0.000 local terms energy: -17.165343 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -4.472 flat angles P-C4'-P energy: -2.037 tors. eta vs tors. theta energy: -1.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -25.169046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.169046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.169046 (E_RNA) where: Base-Base interactions energy: -7.859 where: short stacking energy: -7.859 Base-Backbone interact. energy: 0.127 local terms energy: -17.436799 where: bonds (distance) C4'-P energy: -3.645 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.472 flat angles P-C4'-P energy: -3.434 tors. eta vs tors. theta energy: -1.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -27.470480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.470480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.470480 (E_RNA) where: Base-Base interactions energy: -7.371 where: short stacking energy: -7.371 Base-Backbone interact. energy: -0.000 local terms energy: -20.099942 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.309 flat angles P-C4'-P energy: -3.473 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: 3, replica: 10 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -25.722936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.722936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.722936 (E_RNA) where: Base-Base interactions energy: -8.831 where: short stacking energy: -8.831 Base-Backbone interact. energy: -0.012 local terms energy: -16.879543 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.203 flat angles P-C4'-P energy: -3.104 tors. eta vs tors. theta energy: 0.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -24.316401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.316401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.316401 (E_RNA) where: Base-Base interactions energy: -6.658 where: short stacking energy: -6.658 Base-Backbone interact. energy: -0.008 local terms energy: -17.650583 where: bonds (distance) C4'-P energy: -4.233 bonds (distance) P-C4' energy: -4.343 flat angles C4'-P-C4' energy: -4.451 flat angles P-C4'-P energy: -3.104 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: 5, replica: 7 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -22.443087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.443087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.443087 (E_RNA) where: Base-Base interactions energy: -6.153 where: short stacking energy: -6.153 Base-Backbone interact. energy: -0.000 local terms energy: -16.289629 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.698 flat angles P-C4'-P energy: -2.881 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: 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: 8 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -20.868784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.868784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.868784 (E_RNA) where: Base-Base interactions energy: -5.267 where: short stacking energy: -5.267 Base-Backbone interact. energy: -0.139 local terms energy: -15.462244 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.031 flat angles P-C4'-P energy: -3.060 tors. eta vs tors. theta energy: 1.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -26.690345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.690345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.690345 (E_RNA) where: Base-Base interactions energy: -10.700 where: short stacking energy: -10.700 Base-Backbone interact. energy: -0.002 local terms energy: -15.988557 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -3.327 flat angles P-C4'-P energy: -1.847 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: 9, replica: 3 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -23.358758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.358758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.358758 (E_RNA) where: Base-Base interactions energy: -6.207 where: short stacking energy: -6.207 Base-Backbone interact. energy: -0.000 local terms energy: -17.151821 where: bonds (distance) C4'-P energy: -3.451 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -4.486 flat angles P-C4'-P energy: -1.363 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: 10, replica: 9 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -20.695913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.695913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.695913 (E_RNA) where: Base-Base interactions energy: -1.518 where: short stacking energy: -1.518 Base-Backbone interact. energy: -0.003 local terms energy: -19.175727 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.305 flat angles P-C4'-P energy: -3.107 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: 1, replica: 4 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -31.119833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.119833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.119833 (E_RNA) where: Base-Base interactions energy: -10.885 where: short stacking energy: -10.885 Base-Backbone interact. energy: -0.000 local terms energy: -20.234706 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -3.851 flat angles P-C4'-P energy: -3.528 tors. eta vs tors. theta energy: -3.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -25.969132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.969132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.969132 (E_RNA) where: Base-Base interactions energy: -9.211 where: short stacking energy: -9.211 Base-Backbone interact. energy: -0.000 local terms energy: -16.757501 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -4.266 flat angles P-C4'-P energy: -0.791 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: 3, replica: 2 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -31.352508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.352508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.352508 (E_RNA) where: Base-Base interactions energy: -11.270 where: short stacking energy: -11.270 Base-Backbone interact. energy: -0.000 local terms energy: -20.082351 where: bonds (distance) C4'-P energy: -3.206 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.261 flat angles P-C4'-P energy: -3.391 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: 4, replica: 10 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -26.929853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.929853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.929853 (E_RNA) where: Base-Base interactions energy: -7.320 where: short stacking energy: -7.320 Base-Backbone interact. energy: -0.000 local terms energy: -19.609863 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.621 flat angles P-C4'-P energy: -3.423 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: 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: 7 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -24.723209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.723209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.723209 (E_RNA) where: Base-Base interactions energy: -10.774 where: short stacking energy: -10.774 Base-Backbone interact. energy: -0.000 local terms energy: -13.949264 where: bonds (distance) C4'-P energy: -1.819 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -2.812 flat angles P-C4'-P energy: -2.515 tors. eta vs tors. theta energy: -1.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -20.406909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.406909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.406909 (E_RNA) where: Base-Base interactions energy: -6.767 where: short stacking energy: -6.767 Base-Backbone interact. energy: -0.012 local terms energy: -13.627684 where: bonds (distance) C4'-P energy: -1.400 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -1.704 flat angles P-C4'-P energy: -3.108 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: 8, replica: 6 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -22.105305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.105305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.105305 (E_RNA) where: Base-Base interactions energy: -4.672 where: short stacking energy: -4.672 Base-Backbone interact. energy: -0.032 local terms energy: -17.401630 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.640 flat angles P-C4'-P energy: -4.042 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: 9 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -23.826963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.826963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.826963 (E_RNA) where: Base-Base interactions energy: -6.560 where: short stacking energy: -6.560 Base-Backbone interact. energy: -0.000 local terms energy: -17.267369 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.548 flat angles P-C4'-P energy: -3.269 tors. eta vs tors. theta energy: -0.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -19.761848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.761848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.761848 (E_RNA) where: Base-Base interactions energy: -3.482 where: short stacking energy: -3.654 Base-Backbone interact. energy: -0.100 local terms energy: -16.179803 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.118 flat angles P-C4'-P energy: -3.204 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: 4 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -29.786604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.786604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.786604 (E_RNA) where: Base-Base interactions energy: -12.391 where: short stacking energy: -12.391 Base-Backbone interact. energy: -0.000 local terms energy: -17.396098 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -3.398 flat angles C4'-P-C4' energy: -3.401 flat angles P-C4'-P energy: -3.522 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: 2, replica: 2 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -25.675887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.675887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.675887 (E_RNA) where: Base-Base interactions energy: -8.901 where: short stacking energy: -8.901 Base-Backbone interact. energy: -0.041 local terms energy: -16.734527 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.923 flat angles P-C4'-P energy: -2.541 tors. eta vs tors. theta energy: -1.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -29.568033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.568033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.568033 (E_RNA) where: Base-Base interactions energy: -10.271 where: short stacking energy: -10.271 Base-Backbone interact. energy: -0.000 local terms energy: -19.297027 where: bonds (distance) C4'-P energy: -3.645 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.974 flat angles P-C4'-P energy: -3.108 tors. eta vs tors. theta energy: -3.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 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: 10 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -31.432179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.432179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.432179 (E_RNA) where: Base-Base interactions energy: -10.930 where: short stacking energy: -10.930 Base-Backbone interact. energy: -0.000 local terms energy: -20.502478 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.040 flat angles P-C4'-P energy: -2.736 tors. eta vs tors. theta energy: -4.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -26.348597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.348597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.348597 (E_RNA) where: Base-Base interactions energy: -8.285 where: short stacking energy: -8.285 Base-Backbone interact. energy: -0.000 local terms energy: -18.063610 where: bonds (distance) C4'-P energy: -2.962 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.531 flat angles P-C4'-P energy: -3.469 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: 7, replica: 7 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -22.833145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.833145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.833145 (E_RNA) where: Base-Base interactions energy: -6.359 where: short stacking energy: -6.359 Base-Backbone interact. energy: -0.000 local terms energy: -16.473222 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.093 flat angles P-C4'-P energy: -2.859 tors. eta vs tors. theta energy: -0.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -23.744105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.744105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.744105 (E_RNA) where: Base-Base interactions energy: -7.416 where: short stacking energy: -7.416 Base-Backbone interact. energy: -0.000 local terms energy: -16.327935 where: bonds (distance) C4'-P energy: -3.309 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -4.785 flat angles P-C4'-P energy: -2.810 tors. eta vs tors. theta energy: -1.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -22.444229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.444229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.444229 (E_RNA) where: Base-Base interactions energy: -5.839 where: short stacking energy: -5.839 Base-Backbone interact. energy: 0.372 local terms energy: -16.977950 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.255 flat angles P-C4'-P energy: -2.495 tors. eta vs tors. theta energy: -1.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -21.858564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.858564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.858564 (E_RNA) where: Base-Base interactions energy: -6.884 where: short stacking energy: -6.884 Base-Backbone interact. energy: -0.061 local terms energy: -14.912685 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.397 flat angles P-C4'-P energy: -2.007 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: 1, replica: 4 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -27.290808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.290808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.290808 (E_RNA) where: Base-Base interactions energy: -7.151 where: short stacking energy: -7.151 Base-Backbone interact. energy: -0.004 local terms energy: -20.135887 where: bonds (distance) C4'-P energy: -4.742 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.695 flat angles P-C4'-P energy: -3.778 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: 2, replica: 2 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -21.449531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.449531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.449531 (E_RNA) where: Base-Base interactions energy: -3.798 where: short stacking energy: -3.798 Base-Backbone interact. energy: -0.015 local terms energy: -17.636758 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -4.295 flat angles P-C4'-P energy: -3.178 tors. eta vs tors. theta energy: -2.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -25.712466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.712466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.712466 (E_RNA) where: Base-Base interactions energy: -8.057 where: short stacking energy: -8.057 Base-Backbone interact. energy: -0.000 local terms energy: -17.655293 where: bonds (distance) C4'-P energy: -3.645 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.648 flat angles P-C4'-P energy: -1.930 tors. eta vs tors. theta energy: -2.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -22.429392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.429392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.429392 (E_RNA) where: Base-Base interactions energy: -4.813 where: short stacking energy: -4.813 Base-Backbone interact. energy: -0.075 local terms energy: -17.541411 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.673 flat angles P-C4'-P energy: -3.339 tors. eta vs tors. theta energy: -2.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -28.585710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.585710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.585710 (E_RNA) where: Base-Base interactions energy: -11.753 where: short stacking energy: -11.753 Base-Backbone interact. energy: -0.003 local terms energy: -16.830239 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -3.815 flat angles C4'-P-C4' energy: -4.943 flat angles P-C4'-P energy: -3.611 tors. eta vs tors. theta energy: -0.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -22.998677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.998677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.998677 (E_RNA) where: Base-Base interactions energy: -5.113 where: short stacking energy: -5.113 Base-Backbone interact. energy: -0.000 local terms energy: -17.885828 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -3.205 flat angles P-C4'-P energy: -2.680 tors. eta vs tors. theta energy: -2.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -21.792341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.792341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.792341 (E_RNA) where: Base-Base interactions energy: -6.211 where: short stacking energy: -6.211 Base-Backbone interact. energy: 0.472 local terms energy: -16.054054 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -3.518 flat angles P-C4'-P energy: -2.355 tors. eta vs tors. theta energy: -1.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -27.608766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.608766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.608766 (E_RNA) where: Base-Base interactions energy: -9.368 where: short stacking energy: -9.368 Base-Backbone interact. energy: -0.000 local terms energy: -18.240502 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -2.221 flat angles P-C4'-P energy: -2.688 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: 9, replica: 3 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -21.293910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.293910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.293910 (E_RNA) where: Base-Base interactions energy: -4.142 where: short stacking energy: -4.142 Base-Backbone interact. energy: -0.041 local terms energy: -17.111274 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.669 flat angles P-C4'-P energy: -3.976 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: 6 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -24.404499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.404499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.404499 (E_RNA) where: Base-Base interactions energy: -7.555 where: short stacking energy: -7.555 Base-Backbone interact. energy: -0.036 local terms energy: -16.813841 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -3.230 flat angles P-C4'-P energy: -2.857 tors. eta vs tors. theta energy: -2.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -29.025085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.025085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.025085 (E_RNA) where: Base-Base interactions energy: -11.122 where: short stacking energy: -11.122 Base-Backbone interact. energy: -0.000 local terms energy: -17.902865 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.608 flat angles P-C4'-P energy: -2.002 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: 2, replica: 1 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -24.442619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.442619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.442619 (E_RNA) where: Base-Base interactions energy: -6.990 where: short stacking energy: -6.990 Base-Backbone interact. energy: -0.000 local terms energy: -17.452117 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.358 flat angles P-C4'-P energy: -1.666 tors. eta vs tors. theta energy: -2.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -24.743991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.743991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.743991 (E_RNA) where: Base-Base interactions energy: -9.102 where: short stacking energy: -9.102 Base-Backbone interact. energy: -0.001 local terms energy: -15.640997 where: bonds (distance) C4'-P energy: -3.397 bonds (distance) P-C4' energy: -3.370 flat angles C4'-P-C4' energy: -4.525 flat angles P-C4'-P energy: -2.933 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: 4, replica: 5 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -29.234611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.234611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.234611 (E_RNA) where: Base-Base interactions energy: -10.937 where: short stacking energy: -10.937 Base-Backbone interact. energy: -0.009 local terms energy: -18.288373 where: bonds (distance) C4'-P energy: -2.503 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.916 flat angles P-C4'-P energy: -3.653 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: 8 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -24.208739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.208739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.208739 (E_RNA) where: Base-Base interactions energy: -7.900 where: short stacking energy: -7.900 Base-Backbone interact. energy: -0.000 local terms energy: -16.308129 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -4.544 flat angles P-C4'-P energy: -3.389 tors. eta vs tors. theta energy: 0.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -24.418857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.418857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.418857 (E_RNA) where: Base-Base interactions energy: -8.441 where: short stacking energy: -8.441 Base-Backbone interact. energy: -0.020 local terms energy: -15.958505 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.886 flat angles P-C4'-P energy: -1.435 tors. eta vs tors. theta energy: -0.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -23.114949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.114949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.114949 (E_RNA) where: Base-Base interactions energy: -5.452 where: short stacking energy: -5.452 Base-Backbone interact. energy: -0.000 local terms energy: -17.663136 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.495 flat angles P-C4'-P energy: -3.533 tors. eta vs tors. theta energy: -0.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -21.385469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.385469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.385469 (E_RNA) where: Base-Base interactions energy: -6.496 where: short stacking energy: -6.496 Base-Backbone interact. energy: -0.000 local terms energy: -14.889056 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -4.367 flat angles C4'-P-C4' energy: -1.865 flat angles P-C4'-P energy: -2.118 tors. eta vs tors. theta energy: -2.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -19.696619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.696619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.696619 (E_RNA) where: Base-Base interactions energy: -6.186 where: short stacking energy: -6.186 Base-Backbone interact. energy: -0.014 local terms energy: -13.497289 where: bonds (distance) C4'-P energy: -0.975 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.622 flat angles P-C4'-P energy: -2.088 tors. eta vs tors. theta energy: -1.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -22.889686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.889686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.889686 (E_RNA) where: Base-Base interactions energy: -9.537 where: short stacking energy: -9.537 Base-Backbone interact. energy: -0.000 local terms energy: -13.352672 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -3.907 flat angles P-C4'-P energy: -0.167 tors. eta vs tors. theta energy: -1.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -26.960926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.960926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.960926 (E_RNA) where: Base-Base interactions energy: -11.047 where: short stacking energy: -11.047 Base-Backbone interact. energy: -0.000 local terms energy: -15.914035 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -1.279 flat angles C4'-P-C4' energy: -4.909 flat angles P-C4'-P energy: -2.433 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: 2, replica: 4 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -28.888996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.888996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.888996 (E_RNA) where: Base-Base interactions energy: -11.295 where: short stacking energy: -11.295 Base-Backbone interact. energy: -0.000 local terms energy: -17.593542 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -3.072 flat angles P-C4'-P energy: -1.970 tors. eta vs tors. theta energy: -3.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -25.316209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.316209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.316209 (E_RNA) where: Base-Base interactions energy: -10.857 where: short stacking energy: -10.857 Base-Backbone interact. energy: -0.000 local terms energy: -14.458987 where: bonds (distance) C4'-P energy: -2.066 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.024 flat angles P-C4'-P energy: -1.429 tors. eta vs tors. theta energy: -2.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -24.198138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.198138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.198138 (E_RNA) where: Base-Base interactions energy: -8.835 where: short stacking energy: -8.835 Base-Backbone interact. energy: -0.124 local terms energy: -15.238991 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.698 flat angles P-C4'-P energy: -2.048 tors. eta vs tors. theta energy: -0.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -25.675685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.675685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.675685 (E_RNA) where: Base-Base interactions energy: -7.648 where: short stacking energy: -7.648 Base-Backbone interact. energy: -0.000 local terms energy: -18.027355 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.579 flat angles C4'-P-C4' energy: -4.225 flat angles P-C4'-P energy: -3.243 tors. eta vs tors. theta energy: -1.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -23.450958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.450958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.450958 (E_RNA) where: Base-Base interactions energy: -7.586 where: short stacking energy: -7.586 Base-Backbone interact. energy: -0.000 local terms energy: -15.864821 where: bonds (distance) C4'-P energy: -2.216 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -2.992 flat angles P-C4'-P energy: -4.053 tors. eta vs tors. theta energy: -1.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -23.451940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.451940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.451940 (E_RNA) where: Base-Base interactions energy: -7.704 where: short stacking energy: -7.704 Base-Backbone interact. energy: -0.099 local terms energy: -15.649067 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.627 flat angles P-C4'-P energy: -2.618 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: 10 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -22.321303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.321303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.321303 (E_RNA) where: Base-Base interactions energy: -8.632 where: short stacking energy: -8.632 Base-Backbone interact. energy: -0.004 local terms energy: -13.685605 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -0.737 flat angles P-C4'-P energy: -2.209 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: 6 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -21.190029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.190029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.190029 (E_RNA) where: Base-Base interactions energy: -6.404 where: short stacking energy: -6.404 Base-Backbone interact. energy: -0.019 local terms energy: -14.766942 where: bonds (distance) C4'-P energy: -3.459 bonds (distance) P-C4' energy: -4.044 flat angles C4'-P-C4' energy: -4.261 flat angles P-C4'-P energy: -2.036 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: 7 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -21.941065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.941065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.941065 (E_RNA) where: Base-Base interactions energy: -6.929 where: short stacking energy: -6.929 Base-Backbone interact. energy: -0.005 local terms energy: -15.007153 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -2.478 flat angles C4'-P-C4' energy: -3.689 flat angles P-C4'-P energy: -1.969 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: 1, replica: 1 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -28.877379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.877379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.877379 (E_RNA) where: Base-Base interactions energy: -10.356 where: short stacking energy: -10.356 Base-Backbone interact. energy: -0.000 local terms energy: -18.521397 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.286 flat angles P-C4'-P energy: -2.875 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: 2, replica: 5 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -26.484198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.484198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.484198 (E_RNA) where: Base-Base interactions energy: -7.532 where: short stacking energy: -7.532 Base-Backbone interact. energy: -0.004 local terms energy: -18.948428 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.613 flat angles P-C4'-P energy: -3.541 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: 3, replica: 4 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -22.368533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.368533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.368533 (E_RNA) where: Base-Base interactions energy: -7.108 where: short stacking energy: -7.108 Base-Backbone interact. energy: -0.042 local terms energy: -15.218473 where: bonds (distance) C4'-P energy: -3.861 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -4.187 flat angles P-C4'-P energy: -3.229 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: 9 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -24.823513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.823513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.823513 (E_RNA) where: Base-Base interactions energy: -8.659 where: short stacking energy: -8.659 Base-Backbone interact. energy: -0.017 local terms energy: -16.148476 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -4.023 flat angles P-C4'-P energy: -1.986 tors. eta vs tors. theta energy: -1.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -22.095702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.095702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.095702 (E_RNA) where: Base-Base interactions energy: -5.964 where: short stacking energy: -5.964 Base-Backbone interact. energy: -0.031 local terms energy: -16.100631 where: bonds (distance) C4'-P energy: -3.637 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.729 flat angles P-C4'-P energy: -3.483 tors. eta vs tors. theta energy: 0.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -24.385489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.385489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.385489 (E_RNA) where: Base-Base interactions energy: -6.615 where: short stacking energy: -6.615 Base-Backbone interact. energy: -0.016 local terms energy: -17.755259 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.200 flat angles P-C4'-P energy: -2.423 tors. eta vs tors. theta energy: -2.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -22.101216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.101216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.101216 (E_RNA) where: Base-Base interactions energy: -6.145 where: short stacking energy: -6.145 Base-Backbone interact. energy: -0.001 local terms energy: -15.955123 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.170 flat angles P-C4'-P energy: -2.463 tors. eta vs tors. theta energy: 0.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -22.410113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.410113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.410113 (E_RNA) where: Base-Base interactions energy: -7.202 where: short stacking energy: -7.202 Base-Backbone interact. energy: -0.005 local terms energy: -15.203249 where: bonds (distance) C4'-P energy: -1.608 bonds (distance) P-C4' energy: -3.818 flat angles C4'-P-C4' energy: -4.854 flat angles P-C4'-P energy: -3.567 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: 41 Temperature: 1.300000 Total energy: -22.351430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.351430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.351430 (E_RNA) where: Base-Base interactions energy: -6.362 where: short stacking energy: -6.362 Base-Backbone interact. energy: -0.000 local terms energy: -15.989197 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.895 flat angles C4'-P-C4' energy: -3.516 flat angles P-C4'-P energy: -3.251 tors. eta vs tors. theta energy: -0.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -25.002873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.002873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.002873 (E_RNA) where: Base-Base interactions energy: -10.727 where: short stacking energy: -10.727 Base-Backbone interact. energy: -0.000 local terms energy: -14.275991 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -1.268 flat angles C4'-P-C4' energy: -4.472 flat angles P-C4'-P energy: -3.831 tors. eta vs tors. theta energy: -0.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -26.521782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.521782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.521782 (E_RNA) where: Base-Base interactions energy: -8.769 where: short stacking energy: -8.769 Base-Backbone interact. energy: -0.000 local terms energy: -17.752514 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.131 flat angles C4'-P-C4' energy: -4.173 flat angles P-C4'-P energy: -2.859 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: 2, replica: 1 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -32.100943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.100943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.100943 (E_RNA) where: Base-Base interactions energy: -12.465 where: short stacking energy: -12.465 Base-Backbone interact. energy: -0.000 local terms energy: -19.636307 where: bonds (distance) C4'-P energy: -4.009 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.871 flat angles P-C4'-P energy: -3.833 tors. eta vs tors. theta energy: -2.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -24.762977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.762977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.762977 (E_RNA) where: Base-Base interactions energy: -6.923 where: short stacking energy: -6.923 Base-Backbone interact. energy: -0.043 local terms energy: -17.797556 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.814 flat angles P-C4'-P energy: -2.706 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: 4, replica: 4 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -24.081697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.081697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.081697 (E_RNA) where: Base-Base interactions energy: -9.588 where: short stacking energy: -9.588 Base-Backbone interact. energy: -0.016 local terms energy: -14.476870 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.329 flat angles P-C4'-P energy: -1.707 tors. eta vs tors. theta energy: 0.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -24.478846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.478846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.478846 (E_RNA) where: Base-Base interactions energy: -8.426 where: short stacking energy: -8.426 Base-Backbone interact. energy: -0.000 local terms energy: -16.052965 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -1.349 flat angles P-C4'-P energy: -2.674 tors. eta vs tors. theta energy: -2.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -24.674603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.674603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.674603 (E_RNA) where: Base-Base interactions energy: -8.325 where: short stacking energy: -8.325 Base-Backbone interact. energy: -0.000 local terms energy: -16.349569 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -3.755 flat angles C4'-P-C4' energy: -2.381 flat angles P-C4'-P energy: -2.274 tors. eta vs tors. theta energy: -3.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -22.683146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.683146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.683146 (E_RNA) where: Base-Base interactions energy: -8.197 where: short stacking energy: -8.197 Base-Backbone interact. energy: -0.023 local terms energy: -14.462731 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.944 flat angles C4'-P-C4' energy: -3.425 flat angles P-C4'-P energy: -2.860 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: 8, replica: 8 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -20.070726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.070726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.070726 (E_RNA) where: Base-Base interactions energy: -5.825 where: short stacking energy: -5.825 Base-Backbone interact. energy: -0.001 local terms energy: -14.244502 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.608 flat angles P-C4'-P energy: -1.025 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: 9, replica: 7 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -22.775390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.775390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.775390 (E_RNA) where: Base-Base interactions energy: -5.889 where: short stacking energy: -5.889 Base-Backbone interact. energy: -0.000 local terms energy: -16.886433 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -2.530 flat angles P-C4'-P energy: -3.409 tors. eta vs tors. theta energy: -2.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -23.648109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.648109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.648109 (E_RNA) where: Base-Base interactions energy: -7.592 where: short stacking energy: -7.592 Base-Backbone interact. energy: -0.000 local terms energy: -16.056336 where: bonds (distance) C4'-P energy: -3.190 bonds (distance) P-C4' energy: -4.082 flat angles C4'-P-C4' energy: -3.921 flat angles P-C4'-P energy: -3.340 tors. eta vs tors. theta energy: -1.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -26.730254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.730254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.730254 (E_RNA) where: Base-Base interactions energy: -7.713 where: short stacking energy: -7.713 Base-Backbone interact. energy: -0.000 local terms energy: -19.017251 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.572 flat angles P-C4'-P energy: -3.853 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: 2, replica: 9 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -27.092610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.092610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.092610 (E_RNA) where: Base-Base interactions energy: -7.133 where: short stacking energy: -7.908 Base-Backbone interact. energy: -0.000 local terms energy: -19.959327 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.016 flat angles P-C4'-P energy: -2.576 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: 3, replica: 1 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -25.589552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.589552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.589552 (E_RNA) where: Base-Base interactions energy: -9.057 where: short stacking energy: -9.057 Base-Backbone interact. energy: -0.000 local terms energy: -16.532268 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -3.533 flat angles P-C4'-P energy: -3.291 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: 4, replica: 3 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -26.434429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.434429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.434429 (E_RNA) where: Base-Base interactions energy: -8.037 where: short stacking energy: -8.037 Base-Backbone interact. energy: -0.003 local terms energy: -18.394091 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -4.553 flat angles P-C4'-P energy: -3.093 tors. eta vs tors. theta energy: -2.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -23.484009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.484009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.484009 (E_RNA) where: Base-Base interactions energy: -8.289 where: short stacking energy: -8.289 Base-Backbone interact. energy: -0.000 local terms energy: -15.194847 where: bonds (distance) C4'-P energy: -2.892 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.766 flat angles P-C4'-P energy: -2.685 tors. eta vs tors. theta energy: -0.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -26.197603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.197603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.197603 (E_RNA) where: Base-Base interactions energy: -7.056 where: short stacking energy: -7.056 Base-Backbone interact. energy: -0.000 local terms energy: -19.141105 where: bonds (distance) C4'-P energy: -1.803 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.364 flat angles P-C4'-P energy: -3.387 tors. eta vs tors. theta energy: -4.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -21.555370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.555370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.555370 (E_RNA) where: Base-Base interactions energy: -4.340 where: short stacking energy: -4.340 Base-Backbone interact. energy: -0.046 local terms energy: -17.169772 where: bonds (distance) C4'-P energy: -2.954 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.114 flat angles P-C4'-P energy: -3.525 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: 8, replica: 7 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -21.558176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.558176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.558176 (E_RNA) where: Base-Base interactions energy: -9.887 where: short stacking energy: -9.887 Base-Backbone interact. energy: -0.080 local terms energy: -11.591359 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -3.631 flat angles C4'-P-C4' energy: -3.273 flat angles P-C4'-P energy: -1.440 tors. eta vs tors. theta energy: 0.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -22.389585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.389585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.389585 (E_RNA) where: Base-Base interactions energy: -7.332 where: short stacking energy: -7.332 Base-Backbone interact. energy: -0.000 local terms energy: -15.057325 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -3.726 flat angles P-C4'-P energy: -2.943 tors. eta vs tors. theta energy: 0.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -20.637913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.637913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.637913 (E_RNA) where: Base-Base interactions energy: -6.852 where: short stacking energy: -6.852 Base-Backbone interact. energy: -0.000 local terms energy: -13.785554 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -2.388 flat angles C4'-P-C4' energy: -4.766 flat angles P-C4'-P energy: -1.019 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: 5 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -30.100755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.100755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.100755 (E_RNA) where: Base-Base interactions energy: -11.371 where: short stacking energy: -11.371 Base-Backbone interact. energy: -0.000 local terms energy: -18.729994 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.043 flat angles P-C4'-P energy: -3.372 tors. eta vs tors. theta energy: -2.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -27.950519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.950519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.950519 (E_RNA) where: Base-Base interactions energy: -9.918 where: short stacking energy: -9.918 Base-Backbone interact. energy: -0.000 local terms energy: -18.032231 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.379 flat angles P-C4'-P energy: -2.958 tors. eta vs tors. theta energy: -1.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -26.783254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.783254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.783254 (E_RNA) where: Base-Base interactions energy: -8.109 where: short stacking energy: -8.109 Base-Backbone interact. energy: -0.000 local terms energy: -18.673744 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -4.678 flat angles P-C4'-P energy: -3.320 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: 4, replica: 3 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -28.816156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.816156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.816156 (E_RNA) where: Base-Base interactions energy: -9.071 where: short stacking energy: -9.071 Base-Backbone interact. energy: -0.000 local terms energy: -19.744962 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.112 flat angles P-C4'-P energy: -3.709 tors. eta vs tors. theta energy: -3.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -21.496786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.496786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.496786 (E_RNA) where: Base-Base interactions energy: -4.140 where: short stacking energy: -4.140 Base-Backbone interact. energy: -0.000 local terms energy: -17.356400 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.383 flat angles P-C4'-P energy: -2.663 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: 6, replica: 4 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -22.608287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.608287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.608287 (E_RNA) where: Base-Base interactions energy: -3.680 where: short stacking energy: -3.680 Base-Backbone interact. energy: -0.000 local terms energy: -18.928649 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.618 flat angles P-C4'-P energy: -2.185 tors. eta vs tors. theta energy: -4.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -20.486188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.486188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.486188 (E_RNA) where: Base-Base interactions energy: -4.279 where: short stacking energy: -4.279 Base-Backbone interact. energy: -0.010 local terms energy: -16.197005 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -3.357 flat angles P-C4'-P energy: -2.418 tors. eta vs tors. theta energy: -1.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -22.050907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.050907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.050907 (E_RNA) where: Base-Base interactions energy: -5.777 where: short stacking energy: -5.777 Base-Backbone interact. energy: -0.000 local terms energy: -16.273316 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -2.741 flat angles P-C4'-P energy: -2.504 tors. eta vs tors. theta energy: -1.765 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: 9, replica: 10 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -19.057029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.057029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.057029 (E_RNA) where: Base-Base interactions energy: -3.120 where: short stacking energy: -3.120 Base-Backbone interact. energy: -0.100 local terms energy: -15.837606 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.614 flat angles P-C4'-P energy: -1.633 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: 8 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -20.202623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.202623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.202623 (E_RNA) where: Base-Base interactions energy: -4.610 where: short stacking energy: -4.610 Base-Backbone interact. energy: -0.005 local terms energy: -15.588107 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.377 flat angles P-C4'-P energy: -3.473 tors. eta vs tors. theta energy: 0.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -31.451823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.451823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.451823 (E_RNA) where: Base-Base interactions energy: -8.417 where: short stacking energy: -8.417 Base-Backbone interact. energy: -0.000 local terms energy: -23.034370 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -4.924 flat angles P-C4'-P energy: -3.928 tors. eta vs tors. theta energy: -4.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -26.297398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.297398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.297398 (E_RNA) where: Base-Base interactions energy: -8.844 where: short stacking energy: -8.844 Base-Backbone interact. energy: -0.091 local terms energy: -17.362618 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -3.292 flat angles P-C4'-P energy: -3.525 tors. eta vs tors. theta energy: -1.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -30.371332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.371332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.371332 (E_RNA) where: Base-Base interactions energy: -10.946 where: short stacking energy: -10.946 Base-Backbone interact. energy: -0.000 local terms energy: -19.425151 where: bonds (distance) C4'-P energy: -2.237 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.941 flat angles P-C4'-P energy: -2.808 tors. eta vs tors. theta energy: -5.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -26.975145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.975145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.975145 (E_RNA) where: Base-Base interactions energy: -8.731 where: short stacking energy: -8.731 Base-Backbone interact. energy: -0.000 local terms energy: -18.243713 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -3.244 flat angles P-C4'-P energy: -3.099 tors. eta vs tors. theta energy: -3.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -21.214847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.214847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.214847 (E_RNA) where: Base-Base interactions energy: -4.439 where: short stacking energy: -4.439 Base-Backbone interact. energy: -0.006 local terms energy: -16.769761 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.848 flat angles P-C4'-P energy: -3.794 tors. eta vs tors. theta energy: 0.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -24.249765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.249765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.249765 (E_RNA) where: Base-Base interactions energy: -8.302 where: short stacking energy: -8.302 Base-Backbone interact. energy: -0.000 local terms energy: -15.947282 where: bonds (distance) C4'-P energy: -2.812 bonds (distance) P-C4' energy: -3.751 flat angles C4'-P-C4' energy: -2.842 flat angles P-C4'-P energy: -3.079 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: 7, replica: 4 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -24.232536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.232536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.232536 (E_RNA) where: Base-Base interactions energy: -4.695 where: short stacking energy: -4.695 Base-Backbone interact. energy: -0.000 local terms energy: -19.537685 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.336 flat angles C4'-P-C4' energy: -4.820 flat angles P-C4'-P energy: -2.623 tors. eta vs tors. theta energy: -3.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -22.489455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.489455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.489455 (E_RNA) where: Base-Base interactions energy: -5.802 where: short stacking energy: -5.802 Base-Backbone interact. energy: -0.000 local terms energy: -16.687007 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -2.902 flat angles P-C4'-P energy: -2.561 tors. eta vs tors. theta energy: -1.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -23.583093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.583093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.583093 (E_RNA) where: Base-Base interactions energy: -5.516 where: short stacking energy: -5.516 Base-Backbone interact. energy: -0.000 local terms energy: -18.066807 where: bonds (distance) C4'-P energy: -4.009 bonds (distance) P-C4' energy: -3.582 flat angles C4'-P-C4' energy: -3.606 flat angles P-C4'-P energy: -3.881 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: 10, replica: 8 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -22.601985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.601985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.601985 (E_RNA) where: Base-Base interactions energy: -6.039 where: short stacking energy: -6.039 Base-Backbone interact. energy: -0.000 local terms energy: -16.563100 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.658 flat angles P-C4'-P energy: -2.589 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: 1, replica: 1 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -25.730440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.730440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.730440 (E_RNA) where: Base-Base interactions energy: -7.714 where: short stacking energy: -7.714 Base-Backbone interact. energy: -0.002 local terms energy: -18.014463 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -3.916 flat angles P-C4'-P energy: -4.106 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: 2, replica: 5 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -30.524890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.524890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.524890 (E_RNA) where: Base-Base interactions energy: -10.952 where: short stacking energy: -10.952 Base-Backbone interact. energy: -0.000 local terms energy: -19.572723 where: bonds (distance) C4'-P energy: -2.672 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.349 flat angles P-C4'-P energy: -3.660 tors. eta vs tors. theta energy: -4.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -21.688996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.688996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.688996 (E_RNA) where: Base-Base interactions energy: -3.908 where: short stacking energy: -3.908 Base-Backbone interact. energy: -0.058 local terms energy: -17.722695 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.176 flat angles P-C4'-P energy: -3.729 tors. eta vs tors. theta energy: -1.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -25.183691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.183691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.183691 (E_RNA) where: Base-Base interactions energy: -7.613 where: short stacking energy: -7.613 Base-Backbone interact. energy: -0.009 local terms energy: -17.561686 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.820 flat angles P-C4'-P energy: -2.902 tors. eta vs tors. theta energy: -0.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -24.901713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.901713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.901713 (E_RNA) where: Base-Base interactions energy: -10.341 where: short stacking energy: -10.341 Base-Backbone interact. energy: -0.001 local terms energy: -14.559013 where: bonds (distance) C4'-P energy: -2.962 bonds (distance) P-C4' energy: -4.416 flat angles C4'-P-C4' energy: -3.515 flat angles P-C4'-P energy: -2.386 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: 6, replica: 3 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -23.309409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.309409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.309409 (E_RNA) where: Base-Base interactions energy: -8.337 where: short stacking energy: -8.337 Base-Backbone interact. energy: -0.058 local terms energy: -14.914755 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.697 flat angles P-C4'-P energy: -2.129 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: 10 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -24.895223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.895223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.895223 (E_RNA) where: Base-Base interactions energy: -6.340 where: short stacking energy: -6.340 Base-Backbone interact. energy: -0.001 local terms energy: -18.554679 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -2.887 flat angles P-C4'-P energy: -3.142 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: 8, replica: 4 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -23.590634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.590634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.590634 (E_RNA) where: Base-Base interactions energy: -10.908 where: short stacking energy: -10.908 Base-Backbone interact. energy: -0.057 local terms energy: -12.626166 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -2.582 flat angles C4'-P-C4' energy: -1.664 flat angles P-C4'-P energy: -4.021 tors. eta vs tors. theta energy: -0.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -22.323292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.323292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.323292 (E_RNA) where: Base-Base interactions energy: -6.418 where: short stacking energy: -6.418 Base-Backbone interact. energy: -0.013 local terms energy: -15.891717 where: bonds (distance) C4'-P energy: -2.743 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.332 flat angles P-C4'-P energy: -2.587 tors. eta vs tors. theta energy: -2.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -20.246217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.246217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.246217 (E_RNA) where: Base-Base interactions energy: -7.080 where: short stacking energy: -7.080 Base-Backbone interact. energy: -0.036 local terms energy: -13.130345 where: bonds (distance) C4'-P energy: -1.484 bonds (distance) P-C4' energy: -4.417 flat angles C4'-P-C4' energy: -3.603 flat angles P-C4'-P energy: -3.140 tors. eta vs tors. theta energy: -0.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -25.477639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.477639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.477639 (E_RNA) where: Base-Base interactions energy: -6.618 where: short stacking energy: -6.618 Base-Backbone interact. energy: -0.000 local terms energy: -18.859327 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.525 flat angles P-C4'-P energy: -3.433 tors. eta vs tors. theta energy: -1.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -26.712599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.712599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.712599 (E_RNA) where: Base-Base interactions energy: -11.935 where: short stacking energy: -11.935 Base-Backbone interact. energy: -0.000 local terms energy: -14.777831 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -2.661 flat angles P-C4'-P energy: -0.155 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: 3, replica: 5 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -26.386212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.386212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.386212 (E_RNA) where: Base-Base interactions energy: -10.377 where: short stacking energy: -10.377 Base-Backbone interact. energy: -0.093 local terms energy: -15.915620 where: bonds (distance) C4'-P energy: -3.939 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -3.385 flat angles P-C4'-P energy: -3.265 tors. eta vs tors. theta energy: -0.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -23.965746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.965746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.965746 (E_RNA) where: Base-Base interactions energy: -8.115 where: short stacking energy: -8.115 Base-Backbone interact. energy: -0.008 local terms energy: -15.842414 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.132 flat angles C4'-P-C4' energy: -2.066 flat angles P-C4'-P energy: -2.454 tors. eta vs tors. theta energy: -1.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -28.466271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.466271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.466271 (E_RNA) where: Base-Base interactions energy: -9.412 where: short stacking energy: -9.475 Base-Backbone interact. energy: -0.000 local terms energy: -19.054102 where: bonds (distance) C4'-P energy: -3.977 bonds (distance) P-C4' energy: -4.416 flat angles C4'-P-C4' energy: -4.500 flat angles P-C4'-P energy: -3.496 tors. eta vs tors. theta energy: -2.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -22.326558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.326558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.326558 (E_RNA) where: Base-Base interactions energy: -3.616 where: short stacking energy: -3.616 Base-Backbone interact. energy: -0.000 local terms energy: -18.710688 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.801 flat angles P-C4'-P energy: -3.043 tors. eta vs tors. theta energy: -2.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -22.128166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.128166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.128166 (E_RNA) where: Base-Base interactions energy: -5.719 where: short stacking energy: -5.719 Base-Backbone interact. energy: -0.015 local terms energy: -16.393882 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -3.652 flat angles C4'-P-C4' energy: -4.717 flat angles P-C4'-P energy: -2.759 tors. eta vs tors. theta energy: -1.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -21.828215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.828215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.828215 (E_RNA) where: Base-Base interactions energy: -4.523 where: short stacking energy: -4.523 Base-Backbone interact. energy: -0.000 local terms energy: -17.304776 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.049 flat angles P-C4'-P energy: -1.861 tors. eta vs tors. theta energy: -2.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -19.822088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.822088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.822088 (E_RNA) where: Base-Base interactions energy: -5.771 where: short stacking energy: -5.771 Base-Backbone interact. energy: 0.122 local terms energy: -14.173624 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -3.364 flat angles C4'-P-C4' energy: -4.064 flat angles P-C4'-P energy: -3.284 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: 2 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -23.721764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.721764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.721764 (E_RNA) where: Base-Base interactions energy: -5.046 where: short stacking energy: -5.046 Base-Backbone interact. energy: -0.000 local terms energy: -18.676042 where: bonds (distance) C4'-P energy: -4.535 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -3.768 flat angles P-C4'-P energy: -2.707 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: 1, replica: 6 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -23.878555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.878555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.878555 (E_RNA) where: Base-Base interactions energy: -8.145 where: short stacking energy: -8.145 Base-Backbone interact. energy: -0.000 local terms energy: -15.733181 where: bonds (distance) C4'-P energy: -2.751 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.452 flat angles P-C4'-P energy: -2.488 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: 2, replica: 1 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -27.217753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.217753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.217753 (E_RNA) where: Base-Base interactions energy: -8.419 where: short stacking energy: -8.419 Base-Backbone interact. energy: -0.000 local terms energy: -18.798872 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -3.103 flat angles C4'-P-C4' energy: -4.782 flat angles P-C4'-P energy: -2.393 tors. eta vs tors. theta energy: -3.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -26.871811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.871811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.871811 (E_RNA) where: Base-Base interactions energy: -8.144 where: short stacking energy: -8.144 Base-Backbone interact. energy: -0.086 local terms energy: -18.641750 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -4.578 flat angles C4'-P-C4' energy: -3.321 flat angles P-C4'-P energy: -3.504 tors. eta vs tors. theta energy: -2.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -22.120134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.120134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.120134 (E_RNA) where: Base-Base interactions energy: -8.739 where: short stacking energy: -8.739 Base-Backbone interact. energy: -0.477 local terms energy: -12.903896 where: bonds (distance) C4'-P energy: -2.983 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.126 flat angles P-C4'-P energy: -2.837 tors. eta vs tors. theta energy: 0.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -26.563796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.563796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.563796 (E_RNA) where: Base-Base interactions energy: -6.695 where: short stacking energy: -6.695 Base-Backbone interact. energy: -0.007 local terms energy: -19.861767 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.502 flat angles P-C4'-P energy: -3.503 tors. eta vs tors. theta energy: -2.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -21.083213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.083213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.083213 (E_RNA) where: Base-Base interactions energy: -5.694 where: short stacking energy: -5.694 Base-Backbone interact. energy: -0.002 local terms energy: -15.387012 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -3.497 flat angles P-C4'-P energy: -3.474 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: 7, replica: 4 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -22.618015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.618015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.618015 (E_RNA) where: Base-Base interactions energy: -7.308 where: short stacking energy: -7.308 Base-Backbone interact. energy: -0.000 local terms energy: -15.310001 where: bonds (distance) C4'-P energy: -2.307 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -2.758 flat angles P-C4'-P energy: -2.622 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: 8, replica: 3 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -26.463447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.463447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.463447 (E_RNA) where: Base-Base interactions energy: -10.121 where: short stacking energy: -10.121 Base-Backbone interact. energy: -0.000 local terms energy: -16.342664 where: bonds (distance) C4'-P energy: -2.503 bonds (distance) P-C4' energy: -3.585 flat angles C4'-P-C4' energy: -4.115 flat angles P-C4'-P energy: -1.569 tors. eta vs tors. theta energy: -4.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -24.248297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.248297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.248297 (E_RNA) where: Base-Base interactions energy: -5.956 where: short stacking energy: -5.956 Base-Backbone interact. energy: -0.000 local terms energy: -18.291658 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.133 flat angles P-C4'-P energy: -2.897 tors. eta vs tors. theta energy: -2.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -20.371908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.371908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.371908 (E_RNA) where: Base-Base interactions energy: -3.631 where: short stacking energy: -3.631 Base-Backbone interact. energy: -0.001 local terms energy: -16.739431 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.572 flat angles C4'-P-C4' energy: -2.998 flat angles P-C4'-P energy: -2.478 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: 1, replica: 6 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -25.286765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.286765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.286765 (E_RNA) where: Base-Base interactions energy: -7.159 where: short stacking energy: -7.159 Base-Backbone interact. energy: -0.000 local terms energy: -18.127690 where: bonds (distance) C4'-P energy: -3.389 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.801 flat angles P-C4'-P energy: -1.878 tors. eta vs tors. theta energy: -3.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -30.487857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.487857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.487857 (E_RNA) where: Base-Base interactions energy: -10.378 where: short stacking energy: -10.378 Base-Backbone interact. energy: -0.000 local terms energy: -20.109935 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.727 flat angles P-C4'-P energy: -3.539 tors. eta vs tors. theta energy: -4.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -28.440504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.440504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.440504 (E_RNA) where: Base-Base interactions energy: -9.817 where: short stacking energy: -9.817 Base-Backbone interact. energy: -0.005 local terms energy: -18.619201 where: bonds (distance) C4'-P energy: -3.947 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.295 flat angles P-C4'-P energy: -3.502 tors. eta vs tors. theta energy: -1.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -28.804203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.804203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.804203 (E_RNA) where: Base-Base interactions energy: -10.430 where: short stacking energy: -10.430 Base-Backbone interact. energy: -0.000 local terms energy: -18.374272 where: bonds (distance) C4'-P energy: -2.697 bonds (distance) P-C4' energy: -3.758 flat angles C4'-P-C4' energy: -4.054 flat angles P-C4'-P energy: -3.027 tors. eta vs tors. theta energy: -4.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -25.172644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.172644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.172644 (E_RNA) where: Base-Base interactions energy: -6.860 where: short stacking energy: -6.860 Base-Backbone interact. energy: -0.000 local terms energy: -18.312453 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -1.534 flat angles P-C4'-P energy: -3.340 tors. eta vs tors. theta energy: -3.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -24.519138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.519138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.519138 (E_RNA) where: Base-Base interactions energy: -7.037 where: short stacking energy: -7.037 Base-Backbone interact. energy: 0.349 local terms energy: -17.830571 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.342 flat angles C4'-P-C4' energy: -3.762 flat angles P-C4'-P energy: -3.732 tors. eta vs tors. theta energy: -1.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -24.740061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.740061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.740061 (E_RNA) where: Base-Base interactions energy: -8.078 where: short stacking energy: -8.078 Base-Backbone interact. energy: -0.000 local terms energy: -16.661775 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -1.712 flat angles C4'-P-C4' energy: -3.235 flat angles P-C4'-P energy: -3.673 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: 2 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -20.597719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.597719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.597719 (E_RNA) where: Base-Base interactions energy: -4.998 where: short stacking energy: -4.998 Base-Backbone interact. energy: -0.000 local terms energy: -15.600075 where: bonds (distance) C4'-P energy: -3.061 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -1.100 flat angles P-C4'-P energy: -3.173 tors. eta vs tors. theta energy: -3.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -23.478291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.478291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.478291 (E_RNA) where: Base-Base interactions energy: -6.085 where: short stacking energy: -6.085 Base-Backbone interact. energy: -0.000 local terms energy: -17.393365 where: bonds (distance) C4'-P energy: -2.564 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.628 flat angles P-C4'-P energy: -2.220 tors. eta vs tors. theta energy: -3.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -24.899155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.899155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.899155 (E_RNA) where: Base-Base interactions energy: -9.261 where: short stacking energy: -9.261 Base-Backbone interact. energy: -0.000 local terms energy: -15.638445 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.435 flat angles P-C4'-P energy: -1.036 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: 1, replica: 6 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -27.564941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.564941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.564941 (E_RNA) where: Base-Base interactions energy: -10.188 where: short stacking energy: -10.188 Base-Backbone interact. energy: -0.002 local terms energy: -17.374742 where: bonds (distance) C4'-P energy: -3.314 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.875 flat angles P-C4'-P energy: -2.136 tors. eta vs tors. theta energy: -2.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -27.103276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.103276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.103276 (E_RNA) where: Base-Base interactions energy: -7.383 where: short stacking energy: -7.383 Base-Backbone interact. energy: -0.000 local terms energy: -19.720541 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -3.656 flat angles C4'-P-C4' energy: -4.425 flat angles P-C4'-P energy: -2.768 tors. eta vs tors. theta energy: -5.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -26.827857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.827857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.827857 (E_RNA) where: Base-Base interactions energy: -7.134 where: short stacking energy: -7.134 Base-Backbone interact. energy: -0.000 local terms energy: -19.694063 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.736 flat angles P-C4'-P energy: -2.739 tors. eta vs tors. theta energy: -2.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -25.354586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.354586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.354586 (E_RNA) where: Base-Base interactions energy: -6.622 where: short stacking energy: -6.622 Base-Backbone interact. energy: -0.000 local terms energy: -18.732239 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.430 flat angles P-C4'-P energy: -3.338 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: 5, replica: 4 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -23.011532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.011532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.011532 (E_RNA) where: Base-Base interactions energy: -4.905 where: short stacking energy: -4.905 Base-Backbone interact. energy: -0.000 local terms energy: -18.106688 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.456 flat angles P-C4'-P energy: -3.551 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: 6, replica: 5 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -28.200284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.200284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.200284 (E_RNA) where: Base-Base interactions energy: -11.893 where: short stacking energy: -11.893 Base-Backbone interact. energy: -0.000 local terms energy: -16.307465 where: bonds (distance) C4'-P energy: -3.433 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -3.655 flat angles P-C4'-P energy: -1.857 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: 7, replica: 2 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -24.221523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.221523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.221523 (E_RNA) where: Base-Base interactions energy: -4.752 where: short stacking energy: -4.752 Base-Backbone interact. energy: -0.005 local terms energy: -19.464492 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.659 flat angles P-C4'-P energy: -4.091 tors. eta vs tors. theta energy: -1.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -24.785326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.785326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.785326 (E_RNA) where: Base-Base interactions energy: -7.475 where: short stacking energy: -7.475 Base-Backbone interact. energy: -0.000 local terms energy: -17.309931 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -4.382 flat angles P-C4'-P energy: -2.823 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: 9, replica: 8 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -23.585156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.585156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.585156 (E_RNA) where: Base-Base interactions energy: -7.472 where: short stacking energy: -7.472 Base-Backbone interact. energy: -0.634 local terms energy: -15.479355 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -3.981 flat angles C4'-P-C4' energy: -3.839 flat angles P-C4'-P energy: -3.376 tors. eta vs tors. theta energy: -0.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -21.171218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.171218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.171218 (E_RNA) where: Base-Base interactions energy: -8.557 where: short stacking energy: -8.557 Base-Backbone interact. energy: -0.001 local terms energy: -12.613301 where: bonds (distance) C4'-P energy: -2.370 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -3.499 flat angles P-C4'-P energy: -1.538 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: 1, replica: 6 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -31.214555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.214555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.214555 (E_RNA) where: Base-Base interactions energy: -10.999 where: short stacking energy: -10.999 Base-Backbone interact. energy: -0.000 local terms energy: -20.215519 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.173 flat angles P-C4'-P energy: -1.719 tors. eta vs tors. theta energy: -4.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -28.594096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.594096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.594096 (E_RNA) where: Base-Base interactions energy: -11.934 where: short stacking energy: -11.934 Base-Backbone interact. energy: -0.000 local terms energy: -16.659501 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -2.898 flat angles C4'-P-C4' energy: -3.839 flat angles P-C4'-P energy: -3.504 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: 7 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -26.287336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.287336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.287336 (E_RNA) where: Base-Base interactions energy: -9.600 where: short stacking energy: -9.600 Base-Backbone interact. energy: -0.000 local terms energy: -16.687469 where: bonds (distance) C4'-P energy: -2.954 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.996 flat angles P-C4'-P energy: -1.351 tors. eta vs tors. theta energy: -3.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -24.231175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.231175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.231175 (E_RNA) where: Base-Base interactions energy: -7.224 where: short stacking energy: -7.224 Base-Backbone interact. energy: -0.165 local terms energy: -16.842313 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.027 flat angles P-C4'-P energy: -3.253 tors. eta vs tors. theta energy: -0.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -27.603551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.603551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.603551 (E_RNA) where: Base-Base interactions energy: -8.064 where: short stacking energy: -8.064 Base-Backbone interact. energy: -0.000 local terms energy: -19.539346 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -4.839 flat angles C4'-P-C4' energy: -2.728 flat angles P-C4'-P energy: -3.778 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: 2 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -26.744457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.744457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.744457 (E_RNA) where: Base-Base interactions energy: -7.921 where: short stacking energy: -7.921 Base-Backbone interact. energy: -0.023 local terms energy: -18.799880 where: bonds (distance) C4'-P energy: -3.194 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.325 flat angles P-C4'-P energy: -3.766 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: 7, replica: 5 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -21.954187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.954187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.954187 (E_RNA) where: Base-Base interactions energy: -3.379 where: short stacking energy: -3.379 Base-Backbone interact. energy: -0.000 local terms energy: -18.575583 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.632 flat angles P-C4'-P energy: -3.656 tors. eta vs tors. theta energy: -1.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -22.569362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.569362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.569362 (E_RNA) where: Base-Base interactions energy: -5.837 where: short stacking energy: -5.837 Base-Backbone interact. energy: -0.118 local terms energy: -16.614945 where: bonds (distance) C4'-P energy: -4.742 bonds (distance) P-C4' energy: -4.569 flat angles C4'-P-C4' energy: -4.066 flat angles P-C4'-P energy: -2.465 tors. eta vs tors. theta energy: -0.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -21.186694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.186694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.186694 (E_RNA) where: Base-Base interactions energy: -5.453 where: short stacking energy: -5.453 Base-Backbone interact. energy: -0.000 local terms energy: -15.733908 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -3.945 flat angles P-C4'-P energy: -1.605 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: 10, replica: 3 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -24.248706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.248706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.248706 (E_RNA) where: Base-Base interactions energy: -8.413 where: short stacking energy: -8.413 Base-Backbone interact. energy: -0.001 local terms energy: -15.833851 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.243 flat angles P-C4'-P energy: -1.117 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: 10 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -28.643687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.643687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.643687 (E_RNA) where: Base-Base interactions energy: -11.588 where: short stacking energy: -11.588 Base-Backbone interact. energy: -0.000 local terms energy: -17.055737 where: bonds (distance) C4'-P energy: -3.939 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -3.271 flat angles P-C4'-P energy: -3.043 tors. eta vs tors. theta energy: -2.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -24.206643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.206643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.206643 (E_RNA) where: Base-Base interactions energy: -6.777 where: short stacking energy: -6.777 Base-Backbone interact. energy: -0.007 local terms energy: -17.422339 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.318 flat angles C4'-P-C4' energy: -2.410 flat angles P-C4'-P energy: -3.241 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: 3, replica: 4 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -25.650234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.650234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.650234 (E_RNA) where: Base-Base interactions energy: -7.503 where: short stacking energy: -7.503 Base-Backbone interact. energy: -0.001 local terms energy: -18.145983 where: bonds (distance) C4'-P energy: -2.859 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.785 flat angles P-C4'-P energy: -3.552 tors. eta vs tors. theta energy: -2.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -31.388870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.388870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.388870 (E_RNA) where: Base-Base interactions energy: -11.906 where: short stacking energy: -11.906 Base-Backbone interact. energy: -0.000 local terms energy: -19.482514 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.472 flat angles P-C4'-P energy: -3.270 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: 2 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -23.090802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.090802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.090802 (E_RNA) where: Base-Base interactions energy: -4.468 where: short stacking energy: -4.468 Base-Backbone interact. energy: -0.000 local terms energy: -18.622938 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.410 flat angles P-C4'-P energy: -2.433 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: 6, replica: 1 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -26.777096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.777096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.777096 (E_RNA) where: Base-Base interactions energy: -7.241 where: short stacking energy: -7.241 Base-Backbone interact. energy: -0.000 local terms energy: -19.535886 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -3.466 flat angles P-C4'-P energy: -3.573 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: 7, replica: 8 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -27.022943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.022943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.022943 (E_RNA) where: Base-Base interactions energy: -8.829 where: short stacking energy: -8.829 Base-Backbone interact. energy: -0.000 local terms energy: -18.193655 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.167 flat angles P-C4'-P energy: -2.936 tors. eta vs tors. theta energy: -2.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -25.461661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.461661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.461661 (E_RNA) where: Base-Base interactions energy: -7.363 where: short stacking energy: -7.582 Base-Backbone interact. energy: -0.000 local terms energy: -18.097841 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -4.432 flat angles P-C4'-P energy: -2.400 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: 9, replica: 3 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -24.004332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.004332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.004332 (E_RNA) where: Base-Base interactions energy: -7.858 where: short stacking energy: -7.858 Base-Backbone interact. energy: -0.021 local terms energy: -16.124928 where: bonds (distance) C4'-P energy: -3.487 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.958 flat angles P-C4'-P energy: -3.318 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: 10, replica: 9 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -22.508930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.508930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.508930 (E_RNA) where: Base-Base interactions energy: -8.004 where: short stacking energy: -8.004 Base-Backbone interact. energy: -0.051 local terms energy: -14.453257 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.608 flat angles P-C4'-P energy: -0.896 tors. eta vs tors. theta energy: -0.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -31.035705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.035705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.035705 (E_RNA) where: Base-Base interactions energy: -9.694 where: short stacking energy: -9.694 Base-Backbone interact. energy: -0.000 local terms energy: -21.341806 where: bonds (distance) C4'-P energy: -3.637 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.666 flat angles P-C4'-P energy: -2.995 tors. eta vs tors. theta energy: -4.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -26.247777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.247777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.247777 (E_RNA) where: Base-Base interactions energy: -8.993 where: short stacking energy: -8.993 Base-Backbone interact. energy: -0.000 local terms energy: -17.255163 where: bonds (distance) C4'-P energy: -2.730 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -4.116 flat angles P-C4'-P energy: -1.511 tors. eta vs tors. theta energy: -4.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -23.299903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.299903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.299903 (E_RNA) where: Base-Base interactions energy: -6.262 where: short stacking energy: -6.262 Base-Backbone interact. energy: -0.009 local terms energy: -17.029237 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -3.804 flat angles P-C4'-P energy: -2.619 tors. eta vs tors. theta energy: -2.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -25.399259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.399259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.399259 (E_RNA) where: Base-Base interactions energy: -7.685 where: short stacking energy: -7.685 Base-Backbone interact. energy: -0.000 local terms energy: -17.713935 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.750 flat angles P-C4'-P energy: -1.890 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: 5, replica: 7 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -25.691758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.691758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.691758 (E_RNA) where: Base-Base interactions energy: -7.087 where: short stacking energy: -7.087 Base-Backbone interact. energy: -0.000 local terms energy: -18.604375 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.644 flat angles P-C4'-P energy: -2.297 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: 6, replica: 8 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -26.320875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.320875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.320875 (E_RNA) where: Base-Base interactions energy: -5.580 where: short stacking energy: -5.580 Base-Backbone interact. energy: -0.000 local terms energy: -20.741184 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.631 flat angles C4'-P-C4' energy: -4.413 flat angles P-C4'-P energy: -3.419 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: 7, replica: 1 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -20.739542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.739542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.739542 (E_RNA) where: Base-Base interactions energy: -7.285 where: short stacking energy: -7.285 Base-Backbone interact. energy: -0.000 local terms energy: -13.454591 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.051 flat angles C4'-P-C4' energy: -2.311 flat angles P-C4'-P energy: -2.806 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: 8, replica: 5 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -21.903645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.903645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.903645 (E_RNA) where: Base-Base interactions energy: -3.456 where: short stacking energy: -3.456 Base-Backbone interact. energy: -0.001 local terms energy: -18.446378 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.894 flat angles P-C4'-P energy: -2.958 tors. eta vs tors. theta energy: -1.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -21.859769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.859769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.859769 (E_RNA) where: Base-Base interactions energy: -7.117 where: short stacking energy: -7.117 Base-Backbone interact. energy: -0.083 local terms energy: -14.659455 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -2.773 flat angles P-C4'-P energy: -3.241 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: 9 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -20.228613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.228613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.228613 (E_RNA) where: Base-Base interactions energy: -4.958 where: short stacking energy: -4.958 Base-Backbone interact. energy: -0.000 local terms energy: -15.270841 where: bonds (distance) C4'-P energy: -2.279 bonds (distance) P-C4' energy: -3.100 flat angles C4'-P-C4' energy: -4.162 flat angles P-C4'-P energy: -3.036 tors. eta vs tors. theta energy: -2.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -29.378261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.378261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.378261 (E_RNA) where: Base-Base interactions energy: -11.367 where: short stacking energy: -11.367 Base-Backbone interact. energy: -0.000 local terms energy: -18.011211 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -3.926 flat angles P-C4'-P energy: -3.283 tors. eta vs tors. theta energy: -2.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -24.653677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.653677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.653677 (E_RNA) where: Base-Base interactions energy: -7.617 where: short stacking energy: -7.617 Base-Backbone interact. energy: -0.010 local terms energy: -17.026509 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -2.590 flat angles P-C4'-P energy: -3.076 tors. eta vs tors. theta energy: -2.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -25.313051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.313051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.313051 (E_RNA) where: Base-Base interactions energy: -9.527 where: short stacking energy: -8.175 Base-Backbone interact. energy: -0.000 local terms energy: -15.785843 where: bonds (distance) C4'-P energy: -3.417 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -2.601 flat angles P-C4'-P energy: -2.723 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: 4 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -24.977851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.977851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.977851 (E_RNA) where: Base-Base interactions energy: -6.828 where: short stacking energy: -6.828 Base-Backbone interact. energy: -0.000 local terms energy: -18.150017 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.692 flat angles P-C4'-P energy: -1.846 tors. eta vs tors. theta energy: -3.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -23.217929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.217929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.217929 (E_RNA) where: Base-Base interactions energy: -7.461 where: short stacking energy: -7.461 Base-Backbone interact. energy: -0.000 local terms energy: -15.757116 where: bonds (distance) C4'-P energy: -3.042 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -4.750 flat angles P-C4'-P energy: -2.891 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: 7 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -27.229951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.229951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.229951 (E_RNA) where: Base-Base interactions energy: -5.698 where: short stacking energy: -5.698 Base-Backbone interact. energy: -0.000 local terms energy: -21.531864 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.543 flat angles P-C4'-P energy: -3.064 tors. eta vs tors. theta energy: -4.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -21.424777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.424777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.424777 (E_RNA) where: Base-Base interactions energy: -3.831 where: short stacking energy: -3.831 Base-Backbone interact. energy: -0.053 local terms energy: -17.541053 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.294 flat angles P-C4'-P energy: -3.277 tors. eta vs tors. theta energy: -1.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -22.138088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.138088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.138088 (E_RNA) where: Base-Base interactions energy: -4.025 where: short stacking energy: -4.025 Base-Backbone interact. energy: -0.000 local terms energy: -18.113267 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -4.299 flat angles P-C4'-P energy: -3.345 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: 9, replica: 9 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -23.159913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.159913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.159913 (E_RNA) where: Base-Base interactions energy: -8.027 where: short stacking energy: -8.027 Base-Backbone interact. energy: -0.001 local terms energy: -15.131841 where: bonds (distance) C4'-P energy: -2.970 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -3.339 flat angles P-C4'-P energy: -4.080 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: 10, replica: 3 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -21.275028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.275028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.275028 (E_RNA) where: Base-Base interactions energy: -5.314 where: short stacking energy: -5.314 Base-Backbone interact. energy: -0.037 local terms energy: -15.924406 where: bonds (distance) C4'-P energy: -3.939 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -1.814 flat angles P-C4'-P energy: -2.185 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: 1, replica: 6 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -26.925058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.925058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.925058 (E_RNA) where: Base-Base interactions energy: -7.556 where: short stacking energy: -7.556 Base-Backbone interact. energy: -0.000 local terms energy: -19.369268 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.815 flat angles P-C4'-P energy: -1.869 tors. eta vs tors. theta energy: -4.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -26.842079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.842079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.842079 (E_RNA) where: Base-Base interactions energy: -7.843 where: short stacking energy: -7.843 Base-Backbone interact. energy: -0.000 local terms energy: -18.998708 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.176 flat angles P-C4'-P energy: -3.376 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: 3, replica: 10 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -27.825025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.825025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.825025 (E_RNA) where: Base-Base interactions energy: -10.168 where: short stacking energy: -10.529 Base-Backbone interact. energy: -0.000 local terms energy: -17.656573 where: bonds (distance) C4'-P energy: -2.681 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -3.728 flat angles P-C4'-P energy: -2.824 tors. eta vs tors. theta energy: -3.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -29.287678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.287678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.287678 (E_RNA) where: Base-Base interactions energy: -10.972 where: short stacking energy: -10.972 Base-Backbone interact. energy: -0.000 local terms energy: -18.315392 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.463 flat angles P-C4'-P energy: -1.019 tors. eta vs tors. theta energy: -4.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -20.221443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.221443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.221443 (E_RNA) where: Base-Base interactions energy: -3.875 where: short stacking energy: -3.875 Base-Backbone interact. energy: -0.020 local terms energy: -16.326161 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -2.699 flat angles P-C4'-P energy: -2.971 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: 6, replica: 7 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -23.674421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.674421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.674421 (E_RNA) where: Base-Base interactions energy: -8.312 where: short stacking energy: -8.312 Base-Backbone interact. energy: -0.284 local terms energy: -15.078281 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -3.469 flat angles C4'-P-C4' energy: -4.169 flat angles P-C4'-P energy: -3.135 tors. eta vs tors. theta energy: -0.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -20.382962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.382962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.382962 (E_RNA) where: Base-Base interactions energy: -5.779 where: short stacking energy: -5.779 Base-Backbone interact. energy: -0.000 local terms energy: -14.603648 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -4.156 flat angles C4'-P-C4' energy: -3.781 flat angles P-C4'-P energy: -0.193 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: 9 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -21.741275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.741275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.741275 (E_RNA) where: Base-Base interactions energy: -5.008 where: short stacking energy: -5.008 Base-Backbone interact. energy: -0.000 local terms energy: -16.733630 where: bonds (distance) C4'-P energy: -4.233 bonds (distance) P-C4' energy: -2.803 flat angles C4'-P-C4' energy: -4.583 flat angles P-C4'-P energy: -1.823 tors. eta vs tors. theta energy: -3.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -21.714417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.714417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.714417 (E_RNA) where: Base-Base interactions energy: -6.288 where: short stacking energy: -6.288 Base-Backbone interact. energy: -0.062 local terms energy: -15.364117 where: bonds (distance) C4'-P energy: -2.768 bonds (distance) P-C4' energy: -3.367 flat angles C4'-P-C4' energy: -3.712 flat angles P-C4'-P energy: -2.993 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: 55 Temperature: 1.350000 Total energy: -20.039201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.039201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.039201 (E_RNA) where: Base-Base interactions energy: -2.546 where: short stacking energy: -2.546 Base-Backbone interact. energy: -0.000 local terms energy: -17.492712 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -3.075 flat angles C4'-P-C4' energy: -4.294 flat angles P-C4'-P energy: -3.862 tors. eta vs tors. theta energy: -2.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -26.354310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.354310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.354310 (E_RNA) where: Base-Base interactions energy: -8.198 where: short stacking energy: -8.198 Base-Backbone interact. energy: -0.002 local terms energy: -18.154158 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.609 flat angles P-C4'-P energy: -3.352 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: 2 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -28.666116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.666116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.666116 (E_RNA) where: Base-Base interactions energy: -10.119 where: short stacking energy: -10.119 Base-Backbone interact. energy: -0.000 local terms energy: -18.547219 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.044 flat angles C4'-P-C4' energy: -3.768 flat angles P-C4'-P energy: -1.820 tors. eta vs tors. theta energy: -4.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -22.715028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.715028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.715028 (E_RNA) where: Base-Base interactions energy: -8.869 where: short stacking energy: -8.869 Base-Backbone interact. energy: -0.039 local terms energy: -13.807106 where: bonds (distance) C4'-P energy: -3.673 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -3.324 flat angles P-C4'-P energy: -1.099 tors. eta vs tors. theta energy: -0.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -23.158343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.158343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.158343 (E_RNA) where: Base-Base interactions energy: -8.417 where: short stacking energy: -8.417 Base-Backbone interact. energy: -0.000 local terms energy: -14.741409 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -3.640 flat angles P-C4'-P energy: -2.106 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: 5, replica: 7 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -24.885632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.885632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.885632 (E_RNA) where: Base-Base interactions energy: -6.742 where: short stacking energy: -6.742 Base-Backbone interact. energy: -0.054 local terms energy: -18.089830 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -4.786 flat angles P-C4'-P energy: -2.172 tors. eta vs tors. theta energy: -1.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -29.003400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.003400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.003400 (E_RNA) where: Base-Base interactions energy: -10.637 where: short stacking energy: -10.637 Base-Backbone interact. energy: -0.000 local terms energy: -18.366789 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.030 flat angles P-C4'-P energy: -1.953 tors. eta vs tors. theta energy: -3.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -24.711563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.711563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.711563 (E_RNA) where: Base-Base interactions energy: -7.698 where: short stacking energy: -7.698 Base-Backbone interact. energy: -0.000 local terms energy: -17.013172 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.786 flat angles P-C4'-P energy: -0.708 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: 8, replica: 9 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -21.195762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.195762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.195762 (E_RNA) where: Base-Base interactions energy: -5.988 where: short stacking energy: -5.988 Base-Backbone interact. energy: -0.000 local terms energy: -15.207301 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.413 flat angles C4'-P-C4' energy: -3.760 flat angles P-C4'-P energy: -1.929 tors. eta vs tors. theta energy: -1.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -20.111591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.111591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.111591 (E_RNA) where: Base-Base interactions energy: -4.875 where: short stacking energy: -4.875 Base-Backbone interact. energy: -0.000 local terms energy: -15.236690 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -3.103 flat angles C4'-P-C4' energy: -4.133 flat angles P-C4'-P energy: -3.362 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: 10, replica: 1 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -23.435427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.435427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.435427 (E_RNA) where: Base-Base interactions energy: -7.336 where: short stacking energy: -7.336 Base-Backbone interact. energy: -0.001 local terms energy: -16.098010 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -1.818 flat angles P-C4'-P energy: -3.460 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: 6 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -27.275995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.275995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.275995 (E_RNA) where: Base-Base interactions energy: -9.895 where: short stacking energy: -10.064 Base-Backbone interact. energy: -0.018 local terms energy: -17.363019 where: bonds (distance) C4'-P energy: -3.393 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -4.664 flat angles P-C4'-P energy: -3.078 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: 2, replica: 8 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -22.112292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.112292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.112292 (E_RNA) where: Base-Base interactions energy: -5.583 where: short stacking energy: -5.583 Base-Backbone interact. energy: -0.054 local terms energy: -16.475364 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.079 flat angles P-C4'-P energy: -2.154 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: 2 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -25.619420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.619420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.619420 (E_RNA) where: Base-Base interactions energy: -6.450 where: short stacking energy: -7.556 Base-Backbone interact. energy: -0.006 local terms energy: -19.163624 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.907 flat angles P-C4'-P energy: -3.596 tors. eta vs tors. theta energy: -2.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -27.807147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.807147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.807147 (E_RNA) where: Base-Base interactions energy: -9.193 where: short stacking energy: -9.193 Base-Backbone interact. energy: -0.000 local terms energy: -18.613922 where: bonds (distance) C4'-P energy: -3.389 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.536 flat angles P-C4'-P energy: -3.229 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: 5, replica: 7 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -22.915599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.915599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.915599 (E_RNA) where: Base-Base interactions energy: -6.849 where: short stacking energy: -6.849 Base-Backbone interact. energy: -0.019 local terms energy: -16.047974 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -3.083 flat angles P-C4'-P energy: -3.321 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: 6, replica: 5 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -25.264023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.264023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.264023 (E_RNA) where: Base-Base interactions energy: -8.060 where: short stacking energy: -8.060 Base-Backbone interact. energy: -0.000 local terms energy: -17.204359 where: bonds (distance) C4'-P energy: -2.689 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -4.755 flat angles P-C4'-P energy: -3.211 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: 7, replica: 4 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -22.392701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.392701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.392701 (E_RNA) where: Base-Base interactions energy: -3.904 where: short stacking energy: -3.904 Base-Backbone interact. energy: -0.002 local terms energy: -18.486556 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.303 flat angles P-C4'-P energy: -2.991 tors. eta vs tors. theta energy: -1.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -24.205597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.205597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.205597 (E_RNA) where: Base-Base interactions energy: -6.297 where: short stacking energy: -6.297 Base-Backbone interact. energy: -0.000 local terms energy: -17.908649 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -3.527 flat angles P-C4'-P energy: -2.808 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: 9 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -19.862164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.862164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.862164 (E_RNA) where: Base-Base interactions energy: -3.267 where: short stacking energy: -3.267 Base-Backbone interact. energy: -0.000 local terms energy: -16.595223 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.297 flat angles P-C4'-P energy: -3.006 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: 10, replica: 1 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -20.443762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.443762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.443762 (E_RNA) where: Base-Base interactions energy: -7.072 where: short stacking energy: -7.072 Base-Backbone interact. energy: -0.000 local terms energy: -13.371449 where: bonds (distance) C4'-P energy: -2.379 bonds (distance) P-C4' energy: -2.150 flat angles C4'-P-C4' energy: -2.785 flat angles P-C4'-P energy: -3.869 tors. eta vs tors. theta energy: -2.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -27.551220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.551220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.551220 (E_RNA) where: Base-Base interactions energy: -7.867 where: short stacking energy: -7.867 Base-Backbone interact. energy: -0.000 local terms energy: -19.683629 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.731 flat angles P-C4'-P energy: -2.561 tors. eta vs tors. theta energy: -3.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -24.594887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.594887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.594887 (E_RNA) where: Base-Base interactions energy: -8.845 where: short stacking energy: -8.845 Base-Backbone interact. energy: -0.000 local terms energy: -15.749844 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.210 flat angles P-C4'-P energy: -3.308 tors. eta vs tors. theta energy: 0.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -29.280086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.280086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.280086 (E_RNA) where: Base-Base interactions energy: -7.715 where: short stacking energy: -7.715 Base-Backbone interact. energy: -0.000 local terms energy: -21.565293 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -4.220 flat angles P-C4'-P energy: -3.161 tors. eta vs tors. theta energy: -5.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -24.773528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.773528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.773528 (E_RNA) where: Base-Base interactions energy: -7.634 where: short stacking energy: -7.634 Base-Backbone interact. energy: -0.036 local terms energy: -17.103333 where: bonds (distance) C4'-P energy: -3.326 bonds (distance) P-C4' energy: -3.723 flat angles C4'-P-C4' energy: -3.679 flat angles P-C4'-P energy: -2.808 tors. eta vs tors. theta energy: -3.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -22.828164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.828164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.828164 (E_RNA) where: Base-Base interactions energy: -4.146 where: short stacking energy: -4.146 Base-Backbone interact. energy: -0.000 local terms energy: -18.681893 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -3.904 flat angles P-C4'-P energy: -1.788 tors. eta vs tors. theta energy: -3.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -23.782958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.782958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.782958 (E_RNA) where: Base-Base interactions energy: -5.835 where: short stacking energy: -5.835 Base-Backbone interact. energy: -0.000 local terms energy: -17.948148 where: bonds (distance) C4'-P energy: -1.923 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.855 flat angles P-C4'-P energy: -2.953 tors. eta vs tors. theta energy: -3.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -21.480152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.480152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.480152 (E_RNA) where: Base-Base interactions energy: -8.244 where: short stacking energy: -8.244 Base-Backbone interact. energy: -0.016 local terms energy: -13.220650 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -1.249 flat angles P-C4'-P energy: 0.246 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: 8, replica: 4 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -20.175868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.175868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.175868 (E_RNA) where: Base-Base interactions energy: -3.693 where: short stacking energy: -3.693 Base-Backbone interact. energy: -0.000 local terms energy: -16.482916 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -3.950 flat angles P-C4'-P energy: -2.615 tors. eta vs tors. theta energy: -0.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -20.221266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.221266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.221266 (E_RNA) where: Base-Base interactions energy: -2.848 where: short stacking energy: -2.848 Base-Backbone interact. energy: -0.031 local terms energy: -17.342889 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.612 flat angles P-C4'-P energy: -3.017 tors. eta vs tors. theta energy: -1.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -21.401720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.401720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.401720 (E_RNA) where: Base-Base interactions energy: -8.106 where: short stacking energy: -8.106 Base-Backbone interact. energy: -0.044 local terms energy: -13.251729 where: bonds (distance) C4'-P energy: -2.006 bonds (distance) P-C4' energy: -2.416 flat angles C4'-P-C4' energy: -4.272 flat angles P-C4'-P energy: -2.058 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: 1, replica: 8 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -28.959475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.959475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.959475 (E_RNA) where: Base-Base interactions energy: -10.865 where: short stacking energy: -10.865 Base-Backbone interact. energy: -0.000 local terms energy: -18.094147 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.130 flat angles P-C4'-P energy: -1.105 tors. eta vs tors. theta energy: -4.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -26.429252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.429252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.429252 (E_RNA) where: Base-Base interactions energy: -7.109 where: short stacking energy: -7.490 Base-Backbone interact. energy: -0.000 local terms energy: -19.320472 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.225 flat angles P-C4'-P energy: -3.768 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: 3, replica: 6 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -26.321945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.321945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.321945 (E_RNA) where: Base-Base interactions energy: -7.450 where: short stacking energy: -7.450 Base-Backbone interact. energy: -0.000 local terms energy: -18.872220 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.493 flat angles P-C4'-P energy: -1.256 tors. eta vs tors. theta energy: -4.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -23.265302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.265302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.265302 (E_RNA) where: Base-Base interactions energy: -4.304 where: short stacking energy: -4.304 Base-Backbone interact. energy: -0.046 local terms energy: -18.915528 where: bonds (distance) C4'-P energy: -3.637 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.543 flat angles P-C4'-P energy: -3.529 tors. eta vs tors. theta energy: -2.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -25.012491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.012491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.012491 (E_RNA) where: Base-Base interactions energy: -10.070 where: short stacking energy: -10.070 Base-Backbone interact. energy: -0.000 local terms energy: -14.942938 where: bonds (distance) C4'-P energy: -3.040 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -1.219 flat angles P-C4'-P energy: -2.729 tors. eta vs tors. theta energy: -3.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -24.418835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.418835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.418835 (E_RNA) where: Base-Base interactions energy: -3.482 where: short stacking energy: -3.482 Base-Backbone interact. energy: -0.000 local terms energy: -20.936971 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.574 flat angles P-C4'-P energy: -3.709 tors. eta vs tors. theta energy: -2.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -23.042355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.042355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.042355 (E_RNA) where: Base-Base interactions energy: -6.343 where: short stacking energy: -6.343 Base-Backbone interact. energy: -0.000 local terms energy: -16.699781 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.790 flat angles C4'-P-C4' energy: -3.978 flat angles P-C4'-P energy: -3.306 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: 8, replica: 1 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -26.936837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.936837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.936837 (E_RNA) where: Base-Base interactions energy: -7.898 where: short stacking energy: -7.898 Base-Backbone interact. energy: -0.000 local terms energy: -19.038730 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -2.972 flat angles P-C4'-P energy: -2.583 tors. eta vs tors. theta energy: -3.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -22.330424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.330424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.330424 (E_RNA) where: Base-Base interactions energy: -4.879 where: short stacking energy: -4.879 Base-Backbone interact. energy: -0.000 local terms energy: -17.451296 where: bonds (distance) C4'-P energy: -4.742 bonds (distance) P-C4' energy: -3.758 flat angles C4'-P-C4' energy: -4.386 flat angles P-C4'-P energy: -2.572 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: 10, replica: 9 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -18.567924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.567924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.567924 (E_RNA) where: Base-Base interactions energy: -3.165 where: short stacking energy: -3.165 Base-Backbone interact. energy: -0.000 local terms energy: -15.403302 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -2.249 flat angles P-C4'-P energy: -3.870 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: 10 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -25.270902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.270902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.270902 (E_RNA) where: Base-Base interactions energy: -7.861 where: short stacking energy: -7.861 Base-Backbone interact. energy: -0.000 local terms energy: -17.410223 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.580 flat angles P-C4'-P energy: -3.434 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: 2, replica: 8 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -24.718477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.718477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.718477 (E_RNA) where: Base-Base interactions energy: -6.619 where: short stacking energy: -6.619 Base-Backbone interact. energy: -0.000 local terms energy: -18.099574 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.941 flat angles C4'-P-C4' energy: -4.164 flat angles P-C4'-P energy: -3.465 tors. eta vs tors. theta energy: -2.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -25.531012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.531012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.531012 (E_RNA) where: Base-Base interactions energy: -6.529 where: short stacking energy: -6.529 Base-Backbone interact. energy: -0.000 local terms energy: -19.001779 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.165 flat angles P-C4'-P energy: -4.021 tors. eta vs tors. theta energy: -1.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -22.560537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.560537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.560537 (E_RNA) where: Base-Base interactions energy: -5.508 where: short stacking energy: -5.508 Base-Backbone interact. energy: -0.070 local terms energy: -16.982246 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -3.923 flat angles P-C4'-P energy: -3.050 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: 5, replica: 3 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -27.767613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.767613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.767613 (E_RNA) where: Base-Base interactions energy: -10.697 where: short stacking energy: -10.697 Base-Backbone interact. energy: -0.000 local terms energy: -17.070992 where: bonds (distance) C4'-P energy: -2.892 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -3.972 flat angles P-C4'-P energy: -2.820 tors. eta vs tors. theta energy: -2.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -26.900564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.900564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.900564 (E_RNA) where: Base-Base interactions energy: -9.298 where: short stacking energy: -9.298 Base-Backbone interact. energy: -0.000 local terms energy: -17.602149 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.227 flat angles P-C4'-P energy: -3.887 tors. eta vs tors. theta energy: -1.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -22.960864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.960864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.960864 (E_RNA) where: Base-Base interactions energy: -7.022 where: short stacking energy: -7.022 Base-Backbone interact. energy: -0.052 local terms energy: -15.886937 where: bonds (distance) C4'-P energy: -3.459 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -4.181 flat angles P-C4'-P energy: -2.397 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: 8, replica: 7 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -24.418993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.418993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.418993 (E_RNA) where: Base-Base interactions energy: -8.046 where: short stacking energy: -8.046 Base-Backbone interact. energy: -0.021 local terms energy: -16.351768 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.018 flat angles P-C4'-P energy: -3.059 tors. eta vs tors. theta energy: -1.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -21.618921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.618921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.618921 (E_RNA) where: Base-Base interactions energy: -7.097 where: short stacking energy: -7.097 Base-Backbone interact. energy: -0.000 local terms energy: -14.521874 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -2.352 flat angles C4'-P-C4' energy: -3.366 flat angles P-C4'-P energy: -3.207 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: 10, replica: 4 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -23.327785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.327785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.327785 (E_RNA) where: Base-Base interactions energy: -7.358 where: short stacking energy: -8.095 Base-Backbone interact. energy: -0.000 local terms energy: -15.969579 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.510 flat angles P-C4'-P energy: -1.122 tors. eta vs tors. theta energy: -1.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -32.085252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.085252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.085252 (E_RNA) where: Base-Base interactions energy: -10.841 where: short stacking energy: -10.841 Base-Backbone interact. energy: -0.000 local terms energy: -21.244373 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -4.767 flat angles P-C4'-P energy: -2.829 tors. eta vs tors. theta energy: -5.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -25.529906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.529906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.529906 (E_RNA) where: Base-Base interactions energy: -9.704 where: short stacking energy: -9.704 Base-Backbone interact. energy: -0.023 local terms energy: -15.802955 where: bonds (distance) C4'-P energy: -3.309 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.815 flat angles P-C4'-P energy: -2.678 tors. eta vs tors. theta energy: -0.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -25.275076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.275076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.275076 (E_RNA) where: Base-Base interactions energy: -7.938 where: short stacking energy: -7.938 Base-Backbone interact. energy: -0.000 local terms energy: -17.336896 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.867 flat angles C4'-P-C4' energy: -4.252 flat angles P-C4'-P energy: -2.519 tors. eta vs tors. theta energy: -1.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -26.230722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.230722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.230722 (E_RNA) where: Base-Base interactions energy: -8.382 where: short stacking energy: -8.382 Base-Backbone interact. energy: -0.000 local terms energy: -17.848363 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.424 flat angles P-C4'-P energy: -3.253 tors. eta vs tors. theta energy: -2.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -23.975086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.975086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.975086 (E_RNA) where: Base-Base interactions energy: -5.706 where: short stacking energy: -5.706 Base-Backbone interact. energy: -0.043 local terms energy: -18.225853 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.688 flat angles P-C4'-P energy: -3.295 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: 6, replica: 1 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -22.062483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.062483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.062483 (E_RNA) where: Base-Base interactions energy: -6.691 where: short stacking energy: -6.691 Base-Backbone interact. energy: -0.000 local terms energy: -15.371746 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -2.392 flat angles P-C4'-P energy: -2.479 tors. eta vs tors. theta energy: -1.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -20.859077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.859077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.859077 (E_RNA) where: Base-Base interactions energy: -3.935 where: short stacking energy: -3.935 Base-Backbone interact. energy: -0.000 local terms energy: -16.923744 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -3.301 flat angles C4'-P-C4' energy: -4.525 flat angles P-C4'-P energy: -3.319 tors. eta vs tors. theta energy: -1.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -22.035414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.035414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.035414 (E_RNA) where: Base-Base interactions energy: -4.100 where: short stacking energy: -4.100 Base-Backbone interact. energy: -0.000 local terms energy: -17.935629 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -3.078 flat angles C4'-P-C4' energy: -3.862 flat angles P-C4'-P energy: -3.582 tors. eta vs tors. theta energy: -3.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -18.303638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.303638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.303638 (E_RNA) where: Base-Base interactions energy: -3.943 where: short stacking energy: -3.943 Base-Backbone interact. energy: -0.102 local terms energy: -14.258473 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -1.935 flat angles P-C4'-P energy: -3.255 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: 10, replica: 4 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -19.325944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.325944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.325944 (E_RNA) where: Base-Base interactions energy: -6.512 where: short stacking energy: -6.512 Base-Backbone interact. energy: -0.186 local terms energy: -12.627464 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -2.029 flat angles C4'-P-C4' energy: -3.496 flat angles P-C4'-P energy: -3.478 tors. eta vs tors. theta energy: 0.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -28.400513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.400513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.400513 (E_RNA) where: Base-Base interactions energy: -9.686 where: short stacking energy: -9.686 Base-Backbone interact. energy: -0.002 local terms energy: -18.712259 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.820 flat angles P-C4'-P energy: -3.505 tors. eta vs tors. theta energy: -1.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -25.272356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.272356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.272356 (E_RNA) where: Base-Base interactions energy: -7.853 where: short stacking energy: -7.853 Base-Backbone interact. energy: -0.000 local terms energy: -17.419670 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -4.311 flat angles C4'-P-C4' energy: -3.371 flat angles P-C4'-P energy: -2.073 tors. eta vs tors. theta energy: -3.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -28.441402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.441402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.441402 (E_RNA) where: Base-Base interactions energy: -9.978 where: short stacking energy: -9.978 Base-Backbone interact. energy: -0.000 local terms energy: -18.463369 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -3.036 flat angles P-C4'-P energy: -3.314 tors. eta vs tors. theta energy: -3.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -25.848507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.848507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.848507 (E_RNA) where: Base-Base interactions energy: -10.359 where: short stacking energy: -10.359 Base-Backbone interact. energy: -0.000 local terms energy: -15.489270 where: bonds (distance) C4'-P energy: -0.851 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -3.925 flat angles P-C4'-P energy: -3.000 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: 1 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -23.716835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.716835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.716835 (E_RNA) where: Base-Base interactions energy: -9.398 where: short stacking energy: -9.398 Base-Backbone interact. energy: -0.007 local terms energy: -14.312050 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -2.648 flat angles P-C4'-P energy: -3.211 tors. eta vs tors. theta energy: -0.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -26.281912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.281912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.281912 (E_RNA) where: Base-Base interactions energy: -10.674 where: short stacking energy: -10.674 Base-Backbone interact. energy: -0.007 local terms energy: -15.600948 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.339 flat angles C4'-P-C4' energy: -3.921 flat angles P-C4'-P energy: -1.664 tors. eta vs tors. theta energy: -1.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -23.843801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.843801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.843801 (E_RNA) where: Base-Base interactions energy: -6.994 where: short stacking energy: -6.994 Base-Backbone interact. energy: -0.000 local terms energy: -16.849601 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -3.434 flat angles P-C4'-P energy: -2.901 tors. eta vs tors. theta energy: -2.298 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: 2 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -21.445429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.445429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.445429 (E_RNA) where: Base-Base interactions energy: -4.020 where: short stacking energy: -4.020 Base-Backbone interact. energy: -0.001 local terms energy: -17.424679 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.045 flat angles P-C4'-P energy: -3.843 tors. eta vs tors. theta energy: -0.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -21.363026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.363026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.363026 (E_RNA) where: Base-Base interactions energy: -3.844 where: short stacking energy: -3.844 Base-Backbone interact. energy: -0.000 local terms energy: -17.518890 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.841 flat angles P-C4'-P energy: -2.951 tors. eta vs tors. theta energy: -2.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -22.957584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.957584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.957584 (E_RNA) where: Base-Base interactions energy: -7.698 where: short stacking energy: -7.698 Base-Backbone interact. energy: -0.000 local terms energy: -15.260046 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -3.815 flat angles C4'-P-C4' energy: -2.932 flat angles P-C4'-P energy: -2.088 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: 1, replica: 6 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -26.890866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.890866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.890866 (E_RNA) where: Base-Base interactions energy: -9.781 where: short stacking energy: -9.781 Base-Backbone interact. energy: -0.138 local terms energy: -16.972419 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.813 flat angles P-C4'-P energy: -2.885 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: 2, replica: 8 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -27.164410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.164410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.164410 (E_RNA) where: Base-Base interactions energy: -7.712 where: short stacking energy: -7.712 Base-Backbone interact. energy: -0.000 local terms energy: -19.452169 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.078 flat angles C4'-P-C4' energy: -4.369 flat angles P-C4'-P energy: -3.108 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: 3, replica: 10 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -28.632250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.632250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.632250 (E_RNA) where: Base-Base interactions energy: -9.796 where: short stacking energy: -9.796 Base-Backbone interact. energy: -0.000 local terms energy: -18.835714 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -2.895 flat angles C4'-P-C4' energy: -4.241 flat angles P-C4'-P energy: -3.303 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: 4, replica: 1 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -24.546895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.546895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.546895 (E_RNA) where: Base-Base interactions energy: -8.140 where: short stacking energy: -8.140 Base-Backbone interact. energy: -0.003 local terms energy: -16.403345 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.781 flat angles P-C4'-P energy: -2.704 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: 5, replica: 3 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -23.507816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.507816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.507816 (E_RNA) where: Base-Base interactions energy: -5.619 where: short stacking energy: -5.619 Base-Backbone interact. energy: -0.014 local terms energy: -17.874579 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.279 flat angles P-C4'-P energy: -2.297 tors. eta vs tors. theta energy: -1.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -22.166597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.166597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.166597 (E_RNA) where: Base-Base interactions energy: -7.747 where: short stacking energy: -7.747 Base-Backbone interact. energy: -0.022 local terms energy: -14.397622 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.676 flat angles P-C4'-P energy: -2.088 tors. eta vs tors. theta energy: -0.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -24.539537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.539537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.539537 (E_RNA) where: Base-Base interactions energy: -4.958 where: short stacking energy: -4.958 Base-Backbone interact. energy: -0.000 local terms energy: -19.581643 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.485 flat angles P-C4'-P energy: -1.308 tors. eta vs tors. theta energy: -4.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -20.803167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.803167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.803167 (E_RNA) where: Base-Base interactions energy: -4.849 where: short stacking energy: -4.849 Base-Backbone interact. energy: -0.001 local terms energy: -15.953283 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -3.815 flat angles C4'-P-C4' energy: -3.358 flat angles P-C4'-P energy: -3.975 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: 2 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -20.474470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.474470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.474470 (E_RNA) where: Base-Base interactions energy: -4.195 where: short stacking energy: -4.195 Base-Backbone interact. energy: -0.034 local terms energy: -16.245098 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.276 flat angles P-C4'-P energy: -2.463 tors. eta vs tors. theta energy: -0.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -23.215290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.215290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.215290 (E_RNA) where: Base-Base interactions energy: -5.037 where: short stacking energy: -4.304 Base-Backbone interact. energy: -0.075 local terms energy: -18.103113 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.989 flat angles P-C4'-P energy: -2.224 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: 1, replica: 8 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -26.163070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.163070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.163070 (E_RNA) where: Base-Base interactions energy: -6.848 where: short stacking energy: -6.848 Base-Backbone interact. energy: -0.000 local terms energy: -19.314984 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.418 flat angles P-C4'-P energy: -2.227 tors. eta vs tors. theta energy: -4.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -28.434819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.434819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.434819 (E_RNA) where: Base-Base interactions energy: -8.152 where: short stacking energy: -8.152 Base-Backbone interact. energy: -0.000 local terms energy: -20.282576 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -4.445 flat angles P-C4'-P energy: -3.325 tors. eta vs tors. theta energy: -3.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -23.836729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.836729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.836729 (E_RNA) where: Base-Base interactions energy: -7.152 where: short stacking energy: -7.152 Base-Backbone interact. energy: -0.021 local terms energy: -16.664210 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -3.394 flat angles P-C4'-P energy: -3.368 tors. eta vs tors. theta energy: -1.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -22.751378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.751378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.751378 (E_RNA) where: Base-Base interactions energy: -7.666 where: short stacking energy: -7.666 Base-Backbone interact. energy: -0.000 local terms energy: -15.085150 where: bonds (distance) C4'-P energy: -2.611 bonds (distance) P-C4' energy: -3.948 flat angles C4'-P-C4' energy: -3.239 flat angles P-C4'-P energy: -1.692 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: 5, replica: 9 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -23.731983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.731983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.731983 (E_RNA) where: Base-Base interactions energy: -6.113 where: short stacking energy: -6.113 Base-Backbone interact. energy: -0.000 local terms energy: -17.618935 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.654 flat angles P-C4'-P energy: -2.691 tors. eta vs tors. theta energy: -1.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -20.936243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.936243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.936243 (E_RNA) where: Base-Base interactions energy: -3.798 where: short stacking energy: -3.798 Base-Backbone interact. energy: -0.000 local terms energy: -17.138110 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.025 flat angles P-C4'-P energy: -1.984 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: 7, replica: 5 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -21.045400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.045400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.045400 (E_RNA) where: Base-Base interactions energy: -9.903 where: short stacking energy: -9.903 Base-Backbone interact. energy: -0.006 local terms energy: -11.137089 where: bonds (distance) C4'-P energy: -1.678 bonds (distance) P-C4' energy: -3.131 flat angles C4'-P-C4' energy: -3.782 flat angles P-C4'-P energy: -1.497 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: 4 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -22.410032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.410032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.410032 (E_RNA) where: Base-Base interactions energy: -5.898 where: short stacking energy: -5.898 Base-Backbone interact. energy: -0.000 local terms energy: -16.512107 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.693 flat angles P-C4'-P energy: -3.142 tors. eta vs tors. theta energy: -0.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -21.307501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.307501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.307501 (E_RNA) where: Base-Base interactions energy: -4.102 where: short stacking energy: -4.102 Base-Backbone interact. energy: -0.000 local terms energy: -17.205621 where: bonds (distance) C4'-P energy: -3.433 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -3.887 flat angles P-C4'-P energy: -3.489 tors. eta vs tors. theta energy: -1.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -22.310466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.310466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.310466 (E_RNA) where: Base-Base interactions energy: -5.421 where: short stacking energy: -5.421 Base-Backbone interact. energy: -0.001 local terms energy: -16.889313 where: bonds (distance) C4'-P energy: -2.867 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.955 flat angles P-C4'-P energy: -2.971 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: 1, replica: 8 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -29.660163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.660163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.660163 (E_RNA) where: Base-Base interactions energy: -10.899 where: short stacking energy: -10.899 Base-Backbone interact. energy: -0.000 local terms energy: -18.761108 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.290 flat angles P-C4'-P energy: -3.902 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: 2, replica: 1 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -24.298400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.298400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.298400 (E_RNA) where: Base-Base interactions energy: -10.748 where: short stacking energy: -10.748 Base-Backbone interact. energy: -0.000 local terms energy: -13.550447 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -4.044 flat angles C4'-P-C4' energy: -3.342 flat angles P-C4'-P energy: -2.837 tors. eta vs tors. theta energy: 0.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -28.750606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.750606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.750606 (E_RNA) where: Base-Base interactions energy: -12.641 where: short stacking energy: -12.641 Base-Backbone interact. energy: -0.040 local terms energy: -16.069385 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.342 flat angles C4'-P-C4' energy: -4.368 flat angles P-C4'-P energy: -2.547 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: 9 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -25.339985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.339985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.339985 (E_RNA) where: Base-Base interactions energy: -7.814 where: short stacking energy: -7.814 Base-Backbone interact. energy: -0.058 local terms energy: -17.467662 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -2.495 flat angles P-C4'-P energy: -3.721 tors. eta vs tors. theta energy: -1.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -24.279508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.279508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.279508 (E_RNA) where: Base-Base interactions energy: -7.747 where: short stacking energy: -7.747 Base-Backbone interact. energy: -0.017 local terms energy: -16.515933 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -4.051 flat angles C4'-P-C4' energy: -3.631 flat angles P-C4'-P energy: -4.139 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: 65 Temperature: 1.150000 Total energy: -23.104897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.104897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.104897 (E_RNA) where: Base-Base interactions energy: -8.759 where: short stacking energy: -8.759 Base-Backbone interact. energy: -0.001 local terms energy: -14.344982 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -2.186 flat angles C4'-P-C4' energy: -3.817 flat angles P-C4'-P energy: -3.057 tors. eta vs tors. theta energy: -1.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -22.147345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.147345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.147345 (E_RNA) where: Base-Base interactions energy: -7.762 where: short stacking energy: -7.762 Base-Backbone interact. energy: -0.000 local terms energy: -14.384857 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.851 flat angles P-C4'-P energy: 0.625 tors. eta vs tors. theta energy: -2.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -23.247595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.247595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.247595 (E_RNA) where: Base-Base interactions energy: -6.140 where: short stacking energy: -6.140 Base-Backbone interact. energy: -0.000 local terms energy: -17.106769 where: bonds (distance) C4'-P energy: -1.108 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.786 flat angles P-C4'-P energy: -3.709 tors. eta vs tors. theta energy: -2.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -24.656292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.656292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.656292 (E_RNA) where: Base-Base interactions energy: -7.337 where: short stacking energy: -7.337 Base-Backbone interact. energy: -0.000 local terms energy: -17.318768 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.044 flat angles C4'-P-C4' energy: -3.778 flat angles P-C4'-P energy: -2.826 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: 10, replica: 2 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -22.693568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.693568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.693568 (E_RNA) where: Base-Base interactions energy: -10.766 where: short stacking energy: -10.766 Base-Backbone interact. energy: -0.000 local terms energy: -11.927603 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -3.786 flat angles C4'-P-C4' energy: 0.017 flat angles P-C4'-P energy: -2.577 tors. eta vs tors. theta energy: -2.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -28.597325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.597325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.597325 (E_RNA) where: Base-Base interactions energy: -11.393 where: short stacking energy: -11.393 Base-Backbone interact. energy: -0.002 local terms energy: -17.202589 where: bonds (distance) C4'-P energy: -4.009 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.252 flat angles P-C4'-P energy: -2.531 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: 8 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -30.284788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.284788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.284788 (E_RNA) where: Base-Base interactions energy: -10.846 where: short stacking energy: -10.846 Base-Backbone interact. energy: -0.000 local terms energy: -19.438671 where: bonds (distance) C4'-P energy: -3.335 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.993 flat angles P-C4'-P energy: -3.270 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: 9 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -23.823162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.823162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.823162 (E_RNA) where: Base-Base interactions energy: -6.300 where: short stacking energy: -6.300 Base-Backbone interact. energy: -0.000 local terms energy: -17.523024 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -3.992 flat angles P-C4'-P energy: -3.603 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: 4, replica: 6 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -29.247880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.247880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.247880 (E_RNA) where: Base-Base interactions energy: -10.347 where: short stacking energy: -10.347 Base-Backbone interact. energy: -0.000 local terms energy: -18.900470 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.698 flat angles P-C4'-P energy: -1.732 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: 5, replica: 5 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -24.758695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.758695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.758695 (E_RNA) where: Base-Base interactions energy: -7.281 where: short stacking energy: -7.281 Base-Backbone interact. energy: -0.000 local terms energy: -17.477783 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.103 flat angles C4'-P-C4' energy: -3.362 flat angles P-C4'-P energy: -3.594 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: 6, replica: 10 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -22.551271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.551271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.551271 (E_RNA) where: Base-Base interactions energy: -7.551 where: short stacking energy: -7.551 Base-Backbone interact. energy: -0.040 local terms energy: -14.960025 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.205 flat angles C4'-P-C4' energy: -4.589 flat angles P-C4'-P energy: -1.831 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: 7, replica: 4 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -24.716177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.716177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.716177 (E_RNA) where: Base-Base interactions energy: -9.739 where: short stacking energy: -9.739 Base-Backbone interact. energy: -0.000 local terms energy: -14.977582 where: bonds (distance) C4'-P energy: -1.082 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -3.021 flat angles P-C4'-P energy: -3.024 tors. eta vs tors. theta energy: -3.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -23.036829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.036829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.036829 (E_RNA) where: Base-Base interactions energy: -7.645 where: short stacking energy: -7.645 Base-Backbone interact. energy: -0.000 local terms energy: -15.391440 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -1.130 flat angles P-C4'-P energy: -1.872 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: 9, replica: 2 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -23.672170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.672170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.672170 (E_RNA) where: Base-Base interactions energy: -8.424 where: short stacking energy: -8.424 Base-Backbone interact. energy: -0.004 local terms energy: -15.244501 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.870 flat angles P-C4'-P energy: -2.588 tors. eta vs tors. theta energy: -0.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -21.518307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.518307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.518307 (E_RNA) where: Base-Base interactions energy: -7.817 where: short stacking energy: -7.817 Base-Backbone interact. energy: -0.000 local terms energy: -13.700993 where: bonds (distance) C4'-P energy: -2.006 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -4.875 flat angles P-C4'-P energy: -2.412 tors. eta vs tors. theta energy: -0.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -25.943340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.943340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.943340 (E_RNA) where: Base-Base interactions energy: -8.516 where: short stacking energy: -8.516 Base-Backbone interact. energy: -0.001 local terms energy: -17.426372 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.186 flat angles P-C4'-P energy: -2.633 tors. eta vs tors. theta energy: -1.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -29.691086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.691086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.691086 (E_RNA) where: Base-Base interactions energy: -11.405 where: short stacking energy: -11.405 Base-Backbone interact. energy: -0.000 local terms energy: -18.286491 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.181 flat angles P-C4'-P energy: -2.221 tors. eta vs tors. theta energy: -3.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -30.059167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.059167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.059167 (E_RNA) where: Base-Base interactions energy: -11.354 where: short stacking energy: -11.354 Base-Backbone interact. energy: -0.000 local terms energy: -18.705586 where: bonds (distance) C4'-P energy: -3.939 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -3.767 flat angles P-C4'-P energy: -3.207 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: 5 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -28.035759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.035759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.035759 (E_RNA) where: Base-Base interactions energy: -10.367 where: short stacking energy: -10.367 Base-Backbone interact. energy: -0.000 local terms energy: -17.668237 where: bonds (distance) C4'-P energy: -3.479 bonds (distance) P-C4' energy: -3.271 flat angles C4'-P-C4' energy: -4.233 flat angles P-C4'-P energy: -3.142 tors. eta vs tors. theta energy: -3.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -23.339993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.339993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.339993 (E_RNA) where: Base-Base interactions energy: -7.403 where: short stacking energy: -7.403 Base-Backbone interact. energy: -0.399 local terms energy: -15.538286 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -3.726 flat angles C4'-P-C4' energy: -4.168 flat angles P-C4'-P energy: -2.417 tors. eta vs tors. theta energy: -1.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -23.200216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.200216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.200216 (E_RNA) where: Base-Base interactions energy: -6.577 where: short stacking energy: -6.577 Base-Backbone interact. energy: -0.011 local terms energy: -16.613028 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -2.559 flat angles P-C4'-P energy: -3.586 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: 7, replica: 10 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -22.056185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.056185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.056185 (E_RNA) where: Base-Base interactions energy: -3.054 where: short stacking energy: -3.054 Base-Backbone interact. energy: -0.000 local terms energy: -19.002232 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.024 flat angles P-C4'-P energy: -3.777 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: 8, replica: 2 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -20.794918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.794918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.794918 (E_RNA) where: Base-Base interactions energy: -4.139 where: short stacking energy: -4.139 Base-Backbone interact. energy: -0.000 local terms energy: -16.655890 where: bonds (distance) C4'-P energy: -2.859 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -4.731 flat angles P-C4'-P energy: -3.586 tors. eta vs tors. theta energy: -1.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -23.753720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.753720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.753720 (E_RNA) where: Base-Base interactions energy: -5.349 where: short stacking energy: -5.349 Base-Backbone interact. energy: -0.000 local terms energy: -18.404041 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -4.540 flat angles P-C4'-P energy: -2.731 tors. eta vs tors. theta energy: -2.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -21.339901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.339901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.339901 (E_RNA) where: Base-Base interactions energy: -3.803 where: short stacking energy: -3.803 Base-Backbone interact. energy: -0.000 local terms energy: -17.536488 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -3.723 flat angles C4'-P-C4' energy: -3.465 flat angles P-C4'-P energy: -3.031 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: 1, replica: 9 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -28.162121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.162121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.162121 (E_RNA) where: Base-Base interactions energy: -11.479 where: short stacking energy: -11.479 Base-Backbone interact. energy: -0.000 local terms energy: -16.682872 where: bonds (distance) C4'-P energy: -4.270 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -2.849 flat angles P-C4'-P energy: -3.385 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: 2, replica: 1 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -26.623653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.623653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.623653 (E_RNA) where: Base-Base interactions energy: -7.680 where: short stacking energy: -7.680 Base-Backbone interact. energy: -0.000 local terms energy: -18.943616 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.594 flat angles P-C4'-P energy: -2.642 tors. eta vs tors. theta energy: -2.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -27.010952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.010952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.010952 (E_RNA) where: Base-Base interactions energy: -11.113 where: short stacking energy: -11.113 Base-Backbone interact. energy: -0.002 local terms energy: -15.896263 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.162 flat angles C4'-P-C4' energy: -4.534 flat angles P-C4'-P energy: -2.760 tors. eta vs tors. theta energy: -1.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -23.668506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.668506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.668506 (E_RNA) where: Base-Base interactions energy: -6.459 where: short stacking energy: -6.459 Base-Backbone interact. energy: -0.002 local terms energy: -17.207055 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.095 flat angles P-C4'-P energy: -2.754 tors. eta vs tors. theta energy: -1.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -23.995568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.995568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.995568 (E_RNA) where: Base-Base interactions energy: -6.761 where: short stacking energy: -6.761 Base-Backbone interact. energy: -0.000 local terms energy: -17.234009 where: bonds (distance) C4'-P energy: -2.299 bonds (distance) P-C4' energy: -4.342 flat angles C4'-P-C4' energy: -4.698 flat angles P-C4'-P energy: -1.441 tors. eta vs tors. theta energy: -4.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -22.113087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.113087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.113087 (E_RNA) where: Base-Base interactions energy: -5.869 where: short stacking energy: -5.869 Base-Backbone interact. energy: -0.090 local terms energy: -16.154128 where: bonds (distance) C4'-P energy: -3.335 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -3.434 flat angles P-C4'-P energy: -3.423 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: 7, replica: 2 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -21.944179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.944179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.944179 (E_RNA) where: Base-Base interactions energy: -8.355 where: short stacking energy: -8.355 Base-Backbone interact. energy: -0.000 local terms energy: -13.588810 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -1.016 flat angles C4'-P-C4' energy: -3.606 flat angles P-C4'-P energy: -3.418 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: 10 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -19.523831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.523831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.523831 (E_RNA) where: Base-Base interactions energy: -3.491 where: short stacking energy: -3.491 Base-Backbone interact. energy: -0.015 local terms energy: -16.017622 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.012 flat angles P-C4'-P energy: -2.336 tors. eta vs tors. theta energy: 0.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -21.216986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.216986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.216986 (E_RNA) where: Base-Base interactions energy: -7.240 where: short stacking energy: -7.240 Base-Backbone interact. energy: -0.000 local terms energy: -13.976501 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -3.889 flat angles C4'-P-C4' energy: -2.485 flat angles P-C4'-P energy: -3.052 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: 10, replica: 3 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -20.639658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.639658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.639658 (E_RNA) where: Base-Base interactions energy: -3.462 where: short stacking energy: -3.462 Base-Backbone interact. energy: -0.000 local terms energy: -17.177890 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -2.903 flat angles P-C4'-P energy: -3.357 tors. eta vs tors. theta energy: -1.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -28.607653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.607653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.607653 (E_RNA) where: Base-Base interactions energy: -8.822 where: short stacking energy: -8.822 Base-Backbone interact. energy: -0.000 local terms energy: -19.785279 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -3.538 flat angles P-C4'-P energy: -2.901 tors. eta vs tors. theta energy: -4.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -25.346262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.346262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.346262 (E_RNA) where: Base-Base interactions energy: -7.591 where: short stacking energy: -7.591 Base-Backbone interact. energy: -0.052 local terms energy: -17.703374 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.482 flat angles P-C4'-P energy: -3.479 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: 3, replica: 1 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -25.355222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.355222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.355222 (E_RNA) where: Base-Base interactions energy: -7.231 where: short stacking energy: -7.231 Base-Backbone interact. energy: -0.000 local terms energy: -18.124686 where: bonds (distance) C4'-P energy: -2.689 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.834 flat angles P-C4'-P energy: -2.826 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: 4, replica: 4 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -26.248229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.248229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.248229 (E_RNA) where: Base-Base interactions energy: -12.402 where: short stacking energy: -12.402 Base-Backbone interact. energy: -0.002 local terms energy: -13.843747 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -3.578 flat angles C4'-P-C4' energy: -3.178 flat angles P-C4'-P energy: -0.925 tors. eta vs tors. theta energy: -2.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -26.903340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.903340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.903340 (E_RNA) where: Base-Base interactions energy: -9.833 where: short stacking energy: -9.833 Base-Backbone interact. energy: -0.020 local terms energy: -17.050439 where: bonds (distance) C4'-P energy: -2.626 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -4.008 flat angles P-C4'-P energy: -3.843 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: 6, replica: 2 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -22.486935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.486935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.486935 (E_RNA) where: Base-Base interactions energy: -7.692 where: short stacking energy: -7.692 Base-Backbone interact. energy: -0.096 local terms energy: -14.699258 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -0.769 flat angles P-C4'-P energy: -4.102 tors. eta vs tors. theta energy: -1.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -25.619375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.619375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.619375 (E_RNA) where: Base-Base interactions energy: -6.540 where: short stacking energy: -6.540 Base-Backbone interact. energy: -0.000 local terms energy: -19.079514 where: bonds (distance) C4'-P energy: -3.045 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -3.809 flat angles P-C4'-P energy: -3.641 tors. eta vs tors. theta energy: -3.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -20.115776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.115776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.115776 (E_RNA) where: Base-Base interactions energy: -3.504 where: short stacking energy: -3.504 Base-Backbone interact. energy: -0.000 local terms energy: -16.612191 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -3.889 flat angles C4'-P-C4' energy: -4.555 flat angles P-C4'-P energy: -3.253 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: 10 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -21.871842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.871842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.871842 (E_RNA) where: Base-Base interactions energy: -3.485 where: short stacking energy: -3.485 Base-Backbone interact. energy: -0.000 local terms energy: -18.387311 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -4.249 flat angles P-C4'-P energy: -2.446 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: 10, replica: 3 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -21.463163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.463163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.463163 (E_RNA) where: Base-Base interactions energy: -6.879 where: short stacking energy: -6.979 Base-Backbone interact. energy: -0.000 local terms energy: -14.583782 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.057 flat angles C4'-P-C4' energy: -3.316 flat angles P-C4'-P energy: -1.685 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: 1, replica: 9 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -27.777067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.777067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.777067 (E_RNA) where: Base-Base interactions energy: -9.719 where: short stacking energy: -9.719 Base-Backbone interact. energy: -0.004 local terms energy: -18.054338 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.600 flat angles P-C4'-P energy: -3.647 tors. eta vs tors. theta energy: -1.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -23.132820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.132820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.132820 (E_RNA) where: Base-Base interactions energy: -7.048 where: short stacking energy: -7.048 Base-Backbone interact. energy: -0.009 local terms energy: -16.075832 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.644 flat angles P-C4'-P energy: -3.956 tors. eta vs tors. theta energy: 0.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -29.268567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.268567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.268567 (E_RNA) where: Base-Base interactions energy: -8.461 where: short stacking energy: -8.461 Base-Backbone interact. energy: -0.000 local terms energy: -20.807965 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.255 flat angles P-C4'-P energy: -3.070 tors. eta vs tors. theta energy: -4.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -27.320291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.320291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.320291 (E_RNA) where: Base-Base interactions energy: -10.021 where: short stacking energy: -10.021 Base-Backbone interact. energy: -0.002 local terms energy: -17.296860 where: bonds (distance) C4'-P energy: -2.518 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.595 flat angles P-C4'-P energy: -1.990 tors. eta vs tors. theta energy: -3.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -26.547483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.547483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.547483 (E_RNA) where: Base-Base interactions energy: -9.645 where: short stacking energy: -9.645 Base-Backbone interact. energy: -0.006 local terms energy: -16.896186 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.080 flat angles P-C4'-P energy: -2.780 tors. eta vs tors. theta energy: -1.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -26.513888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.513888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.513888 (E_RNA) where: Base-Base interactions energy: -11.022 where: short stacking energy: -11.022 Base-Backbone interact. energy: -0.000 local terms energy: -15.492141 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -3.103 flat angles C4'-P-C4' energy: -2.749 flat angles P-C4'-P energy: -2.285 tors. eta vs tors. theta energy: -3.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -22.816424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.816424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.816424 (E_RNA) where: Base-Base interactions energy: -7.406 where: short stacking energy: -7.406 Base-Backbone interact. energy: -0.042 local terms energy: -15.368166 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -3.128 flat angles C4'-P-C4' energy: -4.466 flat angles P-C4'-P energy: -3.882 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: 6 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -21.436273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.436273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.436273 (E_RNA) where: Base-Base interactions energy: -5.266 where: short stacking energy: -5.266 Base-Backbone interact. energy: -0.023 local terms energy: -16.146716 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -3.615 flat angles P-C4'-P energy: -1.977 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: 3 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -20.409434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.409434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.409434 (E_RNA) where: Base-Base interactions energy: -4.518 where: short stacking energy: -4.518 Base-Backbone interact. energy: -0.000 local terms energy: -15.891382 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -3.811 flat angles C4'-P-C4' energy: -3.869 flat angles P-C4'-P energy: -3.051 tors. eta vs tors. theta energy: -1.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -24.836318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.836318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.836318 (E_RNA) where: Base-Base interactions energy: -9.157 where: short stacking energy: -9.157 Base-Backbone interact. energy: -0.002 local terms energy: -15.678004 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -3.993 flat angles P-C4'-P energy: -2.088 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: 1, replica: 9 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -26.862683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.862683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.862683 (E_RNA) where: Base-Base interactions energy: -10.089 where: short stacking energy: -10.089 Base-Backbone interact. energy: -0.001 local terms energy: -16.771968 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -3.339 flat angles P-C4'-P energy: -1.369 tors. eta vs tors. theta energy: -3.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -26.877752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.877752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.877752 (E_RNA) where: Base-Base interactions energy: -8.037 where: short stacking energy: -8.037 Base-Backbone interact. energy: -0.000 local terms energy: -18.840256 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -3.966 flat angles C4'-P-C4' energy: -3.867 flat angles P-C4'-P energy: -3.169 tors. eta vs tors. theta energy: -3.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -24.374982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.374982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.374982 (E_RNA) where: Base-Base interactions energy: -4.490 where: short stacking energy: -4.490 Base-Backbone interact. energy: -0.104 local terms energy: -19.780917 where: bonds (distance) C4'-P energy: -4.171 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.207 flat angles P-C4'-P energy: -4.079 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: 4, replica: 2 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -24.073342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.073342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.073342 (E_RNA) where: Base-Base interactions energy: -8.324 where: short stacking energy: -8.324 Base-Backbone interact. energy: -0.000 local terms energy: -15.749511 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -0.661 flat angles P-C4'-P energy: -3.437 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: 5, replica: 1 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -24.883270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.883270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.883270 (E_RNA) where: Base-Base interactions energy: -9.895 where: short stacking energy: -9.895 Base-Backbone interact. energy: -0.000 local terms energy: -14.987997 where: bonds (distance) C4'-P energy: -4.270 bonds (distance) P-C4' energy: -2.060 flat angles C4'-P-C4' energy: -4.614 flat angles P-C4'-P energy: -3.403 tors. eta vs tors. theta energy: -0.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -25.439511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.439511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.439511 (E_RNA) where: Base-Base interactions energy: -10.742 where: short stacking energy: -10.742 Base-Backbone interact. energy: -0.002 local terms energy: -14.695797 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.431 flat angles P-C4'-P energy: -2.189 tors. eta vs tors. theta energy: -0.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -23.213390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.213390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.213390 (E_RNA) where: Base-Base interactions energy: -7.594 where: short stacking energy: -7.594 Base-Backbone interact. energy: -0.000 local terms energy: -15.619505 where: bonds (distance) C4'-P energy: -3.425 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -3.661 flat angles P-C4'-P energy: -3.493 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: 8, replica: 3 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -19.924763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.924763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.924763 (E_RNA) where: Base-Base interactions energy: -4.883 where: short stacking energy: -4.883 Base-Backbone interact. energy: -0.024 local terms energy: -15.018250 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.124 flat angles P-C4'-P energy: 0.011 tors. eta vs tors. theta energy: -2.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -21.957766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.957766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.957766 (E_RNA) where: Base-Base interactions energy: -6.522 where: short stacking energy: -6.586 Base-Backbone interact. energy: -0.000 local terms energy: -15.435822 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -2.507 flat angles C4'-P-C4' energy: -3.181 flat angles P-C4'-P energy: -2.839 tors. eta vs tors. theta energy: -2.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -22.258624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.258624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.258624 (E_RNA) where: Base-Base interactions energy: -7.548 where: short stacking energy: -7.548 Base-Backbone interact. energy: -0.003 local terms energy: -14.707869 where: bonds (distance) C4'-P energy: -3.433 bonds (distance) P-C4' energy: -3.889 flat angles C4'-P-C4' energy: -3.870 flat angles P-C4'-P energy: -2.773 tors. eta vs tors. theta energy: -0.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -31.527820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.527820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.527820 (E_RNA) where: Base-Base interactions energy: -12.289 where: short stacking energy: -12.289 Base-Backbone interact. energy: -0.000 local terms energy: -19.238516 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.104 flat angles P-C4'-P energy: -2.456 tors. eta vs tors. theta energy: -2.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -24.476614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.476614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.476614 (E_RNA) where: Base-Base interactions energy: -8.560 where: short stacking energy: -8.906 Base-Backbone interact. energy: -0.000 local terms energy: -15.916395 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.144 flat angles P-C4'-P energy: -1.007 tors. eta vs tors. theta energy: -2.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -28.078894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.078894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.078894 (E_RNA) where: Base-Base interactions energy: -11.548 where: short stacking energy: -11.548 Base-Backbone interact. energy: -0.000 local terms energy: -16.530902 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -3.984 flat angles C4'-P-C4' energy: -4.104 flat angles P-C4'-P energy: -2.538 tors. eta vs tors. theta energy: -1.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -25.645369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.645369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.645369 (E_RNA) where: Base-Base interactions energy: -7.174 where: short stacking energy: -7.174 Base-Backbone interact. energy: -0.000 local terms energy: -18.470815 where: bonds (distance) C4'-P energy: -4.742 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.409 flat angles P-C4'-P energy: -2.394 tors. eta vs tors. theta energy: -1.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -23.447093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.447093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.447093 (E_RNA) where: Base-Base interactions energy: -5.425 where: short stacking energy: -5.425 Base-Backbone interact. energy: -0.001 local terms energy: -18.020565 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -3.692 flat angles P-C4'-P energy: -3.644 tors. eta vs tors. theta energy: -2.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -23.638772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.638772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.638772 (E_RNA) where: Base-Base interactions energy: -6.509 where: short stacking energy: -6.509 Base-Backbone interact. energy: -0.009 local terms energy: -17.120626 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -4.401 flat angles P-C4'-P energy: -2.173 tors. eta vs tors. theta energy: -1.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -24.661564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.661564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.661564 (E_RNA) where: Base-Base interactions energy: -8.567 where: short stacking energy: -8.567 Base-Backbone interact. energy: -0.000 local terms energy: -16.094680 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -2.153 flat angles C4'-P-C4' energy: -3.288 flat angles P-C4'-P energy: -3.747 tors. eta vs tors. theta energy: -2.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -23.883156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.883156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.883156 (E_RNA) where: Base-Base interactions energy: -5.352 where: short stacking energy: -5.352 Base-Backbone interact. energy: -0.000 local terms energy: -18.530928 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.323 flat angles P-C4'-P energy: -3.502 tors. eta vs tors. theta energy: -2.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -19.459814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.459814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.459814 (E_RNA) where: Base-Base interactions energy: -3.663 where: short stacking energy: -3.663 Base-Backbone interact. energy: -0.103 local terms energy: -15.694644 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -3.637 flat angles P-C4'-P energy: -2.794 tors. eta vs tors. theta energy: 0.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -19.974075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.974075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.974075 (E_RNA) where: Base-Base interactions energy: -3.844 where: short stacking energy: -3.844 Base-Backbone interact. energy: -0.000 local terms energy: -16.130128 where: bonds (distance) C4'-P energy: -3.036 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.078 flat angles P-C4'-P energy: -1.691 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: 1, replica: 4 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -27.300237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.300237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.300237 (E_RNA) where: Base-Base interactions energy: -8.746 where: short stacking energy: -8.746 Base-Backbone interact. energy: -0.000 local terms energy: -18.553906 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.521 flat angles P-C4'-P energy: -3.255 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: 9 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -28.560384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.560384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.560384 (E_RNA) where: Base-Base interactions energy: -10.325 where: short stacking energy: -10.325 Base-Backbone interact. energy: -0.000 local terms energy: -18.235696 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.613 flat angles P-C4'-P energy: -2.891 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: 2 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -29.263724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.263724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.263724 (E_RNA) where: Base-Base interactions energy: -10.127 where: short stacking energy: -10.127 Base-Backbone interact. energy: -0.000 local terms energy: -19.136288 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.413 flat angles P-C4'-P energy: -3.270 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: 4, replica: 7 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -22.316319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.316319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.316319 (E_RNA) where: Base-Base interactions energy: -5.468 where: short stacking energy: -5.468 Base-Backbone interact. energy: -0.054 local terms energy: -16.794243 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -4.606 flat angles C4'-P-C4' energy: -4.260 flat angles P-C4'-P energy: -3.286 tors. eta vs tors. theta energy: -1.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -29.106882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.106882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.106882 (E_RNA) where: Base-Base interactions energy: -8.392 where: short stacking energy: -8.392 Base-Backbone interact. energy: -0.000 local terms energy: -20.714447 where: bonds (distance) C4'-P energy: -4.643 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.104 flat angles P-C4'-P energy: -3.235 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: 3 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -27.562193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.562193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.562193 (E_RNA) where: Base-Base interactions energy: -11.424 where: short stacking energy: -11.424 Base-Backbone interact. energy: -0.000 local terms energy: -16.137983 where: bonds (distance) C4'-P energy: -1.844 bonds (distance) P-C4' energy: -3.919 flat angles C4'-P-C4' energy: -4.432 flat angles P-C4'-P energy: -1.995 tors. eta vs tors. theta energy: -3.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -22.495933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.495933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.495933 (E_RNA) where: Base-Base interactions energy: -3.940 where: short stacking energy: -3.940 Base-Backbone interact. energy: -0.000 local terms energy: -18.556284 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.907 flat angles P-C4'-P energy: -3.442 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: 8, replica: 10 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -21.450797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.450797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.450797 (E_RNA) where: Base-Base interactions energy: -4.248 where: short stacking energy: -4.248 Base-Backbone interact. energy: -0.000 local terms energy: -17.203119 where: bonds (distance) C4'-P energy: -4.233 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.992 flat angles P-C4'-P energy: -2.763 tors. eta vs tors. theta energy: -1.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -23.398872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.398872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.398872 (E_RNA) where: Base-Base interactions energy: -7.492 where: short stacking energy: -7.492 Base-Backbone interact. energy: 0.334 local terms energy: -16.240639 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -3.162 flat angles P-C4'-P energy: -2.022 tors. eta vs tors. theta energy: -2.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -21.814733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.814733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.814733 (E_RNA) where: Base-Base interactions energy: -7.438 where: short stacking energy: -7.438 Base-Backbone interact. energy: -0.865 local terms energy: -13.511522 where: bonds (distance) C4'-P energy: -0.764 bonds (distance) P-C4' energy: -4.051 flat angles C4'-P-C4' energy: -4.222 flat angles P-C4'-P energy: -3.558 tors. eta vs tors. theta energy: -0.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -30.637578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.637578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.637578 (E_RNA) where: Base-Base interactions energy: -11.108 where: short stacking energy: -11.108 Base-Backbone interact. energy: -0.000 local terms energy: -19.529117 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -3.941 flat angles C4'-P-C4' energy: -4.609 flat angles P-C4'-P energy: -3.765 tors. eta vs tors. theta energy: -3.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -25.658142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.658142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.658142 (E_RNA) where: Base-Base interactions energy: -7.951 where: short stacking energy: -7.951 Base-Backbone interact. energy: -0.001 local terms energy: -17.706734 where: bonds (distance) C4'-P energy: -3.061 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -2.938 flat angles P-C4'-P energy: -3.196 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: 3, replica: 7 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -25.918552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.918552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.918552 (E_RNA) where: Base-Base interactions energy: -8.048 where: short stacking energy: -8.048 Base-Backbone interact. energy: -0.098 local terms energy: -17.772427 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.574 flat angles P-C4'-P energy: -2.820 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: 2 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -25.252148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.252148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.252148 (E_RNA) where: Base-Base interactions energy: -8.833 where: short stacking energy: -8.833 Base-Backbone interact. energy: -0.000 local terms energy: -16.418678 where: bonds (distance) C4'-P energy: -4.386 bonds (distance) P-C4' energy: -4.044 flat angles C4'-P-C4' energy: -3.622 flat angles P-C4'-P energy: -3.140 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: 5, replica: 3 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -22.619721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.619721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.619721 (E_RNA) where: Base-Base interactions energy: -3.657 where: short stacking energy: -3.657 Base-Backbone interact. energy: -0.000 local terms energy: -18.962853 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.690 flat angles P-C4'-P energy: -2.791 tors. eta vs tors. theta energy: -3.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -24.644153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.644153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.644153 (E_RNA) where: Base-Base interactions energy: -6.952 where: short stacking energy: -6.952 Base-Backbone interact. energy: -0.100 local terms energy: -17.591718 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.411 flat angles P-C4'-P energy: -3.679 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: 10 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -21.609525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.609525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.609525 (E_RNA) where: Base-Base interactions energy: -4.251 where: short stacking energy: -4.251 Base-Backbone interact. energy: -0.000 local terms energy: -17.358985 where: bonds (distance) C4'-P energy: -2.962 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.249 flat angles P-C4'-P energy: -2.256 tors. eta vs tors. theta energy: -3.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -22.915275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.915275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.915275 (E_RNA) where: Base-Base interactions energy: -7.506 where: short stacking energy: -7.506 Base-Backbone interact. energy: -0.000 local terms energy: -15.409313 where: bonds (distance) C4'-P energy: -2.564 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -4.011 flat angles P-C4'-P energy: -0.825 tors. eta vs tors. theta energy: -3.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -20.334320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.334320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.334320 (E_RNA) where: Base-Base interactions energy: -3.359 where: short stacking energy: -3.359 Base-Backbone interact. energy: -0.000 local terms energy: -16.975774 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.392 flat angles C4'-P-C4' energy: -3.414 flat angles P-C4'-P energy: -2.819 tors. eta vs tors. theta energy: -2.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -22.015593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.015593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.015593 (E_RNA) where: Base-Base interactions energy: -6.169 where: short stacking energy: -6.169 Base-Backbone interact. energy: -0.012 local terms energy: -15.834884 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -2.514 flat angles C4'-P-C4' energy: -4.157 flat angles P-C4'-P energy: -3.039 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: 1, replica: 9 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -32.299048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.299048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.299048 (E_RNA) where: Base-Base interactions energy: -11.620 where: short stacking energy: -11.620 Base-Backbone interact. energy: -0.000 local terms energy: -20.679250 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.020 flat angles P-C4'-P energy: -3.441 tors. eta vs tors. theta energy: -5.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -25.399176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.399176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.399176 (E_RNA) where: Base-Base interactions energy: -8.000 where: short stacking energy: -8.000 Base-Backbone interact. energy: 0.097 local terms energy: -17.496264 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -3.553 flat angles C4'-P-C4' energy: -2.080 flat angles P-C4'-P energy: -3.290 tors. eta vs tors. theta energy: -4.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -26.832542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.832542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.832542 (E_RNA) where: Base-Base interactions energy: -10.193 where: short stacking energy: -10.193 Base-Backbone interact. energy: -0.000 local terms energy: -16.639464 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -3.551 flat angles P-C4'-P energy: -1.310 tors. eta vs tors. theta energy: -3.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -22.843670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.843670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.843670 (E_RNA) where: Base-Base interactions energy: -7.116 where: short stacking energy: -7.116 Base-Backbone interact. energy: -0.002 local terms energy: -15.725877 where: bonds (distance) C4'-P energy: -3.567 bonds (distance) P-C4' energy: -3.364 flat angles C4'-P-C4' energy: -4.820 flat angles P-C4'-P energy: -1.925 tors. eta vs tors. theta energy: -2.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -30.282228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.282228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.282228 (E_RNA) where: Base-Base interactions energy: -10.961 where: short stacking energy: -10.961 Base-Backbone interact. energy: -0.000 local terms energy: -19.321498 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.697 flat angles P-C4'-P energy: -3.235 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: 6, replica: 10 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -26.349104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.349104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.349104 (E_RNA) where: Base-Base interactions energy: -10.725 where: short stacking energy: -10.725 Base-Backbone interact. energy: -0.003 local terms energy: -15.621210 where: bonds (distance) C4'-P energy: -3.344 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.597 flat angles P-C4'-P energy: -2.635 tors. eta vs tors. theta energy: -1.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -21.245224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.245224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.245224 (E_RNA) where: Base-Base interactions energy: -5.602 where: short stacking energy: -5.631 Base-Backbone interact. energy: -0.100 local terms energy: -15.543295 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -3.938 flat angles P-C4'-P energy: -1.988 tors. eta vs tors. theta energy: -0.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -24.425836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.425836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.425836 (E_RNA) where: Base-Base interactions energy: -6.840 where: short stacking energy: -6.840 Base-Backbone interact. energy: -0.000 local terms energy: -17.585412 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -3.916 flat angles C4'-P-C4' energy: -3.941 flat angles P-C4'-P energy: -3.093 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: 9, replica: 1 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -22.465163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.465163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.465163 (E_RNA) where: Base-Base interactions energy: -6.313 where: short stacking energy: -6.313 Base-Backbone interact. energy: -0.063 local terms energy: -16.089047 where: bonds (distance) C4'-P energy: -3.124 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.167 flat angles P-C4'-P energy: -1.789 tors. eta vs tors. theta energy: -2.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -21.387120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.387120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.387120 (E_RNA) where: Base-Base interactions energy: -6.141 where: short stacking energy: -6.141 Base-Backbone interact. energy: -0.134 local terms energy: -15.112484 where: bonds (distance) C4'-P energy: -3.425 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.101 flat angles P-C4'-P energy: -2.773 tors. eta vs tors. theta energy: -1.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -29.271867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.271867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.271867 (E_RNA) where: Base-Base interactions energy: -10.362 where: short stacking energy: -10.362 Base-Backbone interact. energy: -0.000 local terms energy: -18.910011 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -3.327 flat angles C4'-P-C4' energy: -4.850 flat angles P-C4'-P energy: -3.121 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: 7 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -30.437012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.437012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.437012 (E_RNA) where: Base-Base interactions energy: -12.213 where: short stacking energy: -12.213 Base-Backbone interact. energy: -0.000 local terms energy: -18.223992 where: bonds (distance) C4'-P energy: -3.202 bonds (distance) P-C4' energy: -4.441 flat angles C4'-P-C4' energy: -3.427 flat angles P-C4'-P energy: -3.899 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: 3, replica: 3 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -23.455795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.455795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.455795 (E_RNA) where: Base-Base interactions energy: -6.507 where: short stacking energy: -6.932 Base-Backbone interact. energy: -0.000 local terms energy: -16.948302 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.811 flat angles C4'-P-C4' energy: -4.040 flat angles P-C4'-P energy: -2.503 tors. eta vs tors. theta energy: -2.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -21.960466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.960466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.960466 (E_RNA) where: Base-Base interactions energy: -8.584 where: short stacking energy: -8.584 Base-Backbone interact. energy: -0.011 local terms energy: -13.365369 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -0.405 flat angles P-C4'-P energy: -2.966 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: 5, replica: 2 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -23.144669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.144669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.144669 (E_RNA) where: Base-Base interactions energy: -4.944 where: short stacking energy: -4.944 Base-Backbone interact. energy: -0.002 local terms energy: -18.198611 where: bonds (distance) C4'-P energy: -4.341 bonds (distance) P-C4' energy: -5.104 flat angles C4'-P-C4' energy: -4.335 flat angles P-C4'-P energy: -2.760 tors. eta vs tors. theta energy: -1.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -22.230211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.230211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.230211 (E_RNA) where: Base-Base interactions energy: -10.597 where: short stacking energy: -10.597 Base-Backbone interact. energy: -0.090 local terms energy: -11.544164 where: bonds (distance) C4'-P energy: -3.036 bonds (distance) P-C4' energy: -3.895 flat angles C4'-P-C4' energy: -4.299 flat angles P-C4'-P energy: -1.310 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: 6 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -22.913032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.913032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.913032 (E_RNA) where: Base-Base interactions energy: -6.577 where: short stacking energy: -6.577 Base-Backbone interact. energy: -0.090 local terms energy: -16.246308 where: bonds (distance) C4'-P energy: -2.867 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.064 flat angles P-C4'-P energy: -3.422 tors. eta vs tors. theta energy: -0.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -20.456054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.456054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.456054 (E_RNA) where: Base-Base interactions energy: -4.047 where: short stacking energy: -6.223 Base-Backbone interact. energy: -0.089 local terms energy: -16.320710 where: bonds (distance) C4'-P energy: -1.852 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.472 flat angles P-C4'-P energy: -2.429 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: 9, replica: 8 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -22.634911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.634911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.634911 (E_RNA) where: Base-Base interactions energy: -4.683 where: short stacking energy: -4.683 Base-Backbone interact. energy: -0.000 local terms energy: -17.952399 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.556 flat angles P-C4'-P energy: -3.111 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: 10, replica: 1 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -22.109144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.109144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.109144 (E_RNA) where: Base-Base interactions energy: -6.285 where: short stacking energy: -6.285 Base-Backbone interact. energy: -0.000 local terms energy: -15.824080 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -0.550 flat angles P-C4'-P energy: -3.659 tors. eta vs tors. theta energy: -3.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -25.926104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.926104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.926104 (E_RNA) where: Base-Base interactions energy: -8.321 where: short stacking energy: -8.321 Base-Backbone interact. energy: -0.000 local terms energy: -17.605057 where: bonds (distance) C4'-P energy: -3.344 bonds (distance) P-C4' energy: -3.790 flat angles C4'-P-C4' energy: -3.993 flat angles P-C4'-P energy: -3.292 tors. eta vs tors. theta energy: -3.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -28.251285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.251285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.251285 (E_RNA) where: Base-Base interactions energy: -8.284 where: short stacking energy: -8.284 Base-Backbone interact. energy: -0.000 local terms energy: -19.967504 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.317 flat angles P-C4'-P energy: -3.465 tors. eta vs tors. theta energy: -3.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -28.904788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.904788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.904788 (E_RNA) where: Base-Base interactions energy: -9.673 where: short stacking energy: -9.673 Base-Backbone interact. energy: -0.000 local terms energy: -19.231725 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.835 flat angles P-C4'-P energy: -2.938 tors. eta vs tors. theta energy: -2.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -26.324298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.324298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.324298 (E_RNA) where: Base-Base interactions energy: -5.536 where: short stacking energy: -5.536 Base-Backbone interact. energy: -0.000 local terms energy: -20.788339 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.871 flat angles P-C4'-P energy: -3.007 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: 5, replica: 4 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -23.996873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.996873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.996873 (E_RNA) where: Base-Base interactions energy: -8.034 where: short stacking energy: -8.034 Base-Backbone interact. energy: -0.000 local terms energy: -15.962736 where: bonds (distance) C4'-P energy: -2.904 bonds (distance) P-C4' energy: -3.916 flat angles C4'-P-C4' energy: -3.086 flat angles P-C4'-P energy: -3.957 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: 6, replica: 6 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -23.185913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.185913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.185913 (E_RNA) where: Base-Base interactions energy: -6.583 where: short stacking energy: -6.583 Base-Backbone interact. energy: -0.000 local terms energy: -16.602547 where: bonds (distance) C4'-P energy: -2.014 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.604 flat angles P-C4'-P energy: -4.006 tors. eta vs tors. theta energy: -1.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -21.409293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.409293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.409293 (E_RNA) where: Base-Base interactions energy: -6.235 where: short stacking energy: -6.235 Base-Backbone interact. energy: -0.000 local terms energy: -15.174543 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -3.751 flat angles C4'-P-C4' energy: -2.660 flat angles P-C4'-P energy: -3.414 tors. eta vs tors. theta energy: -1.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -23.140161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.140161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.140161 (E_RNA) where: Base-Base interactions energy: -3.954 where: short stacking energy: -3.954 Base-Backbone interact. energy: -0.000 local terms energy: -19.185683 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.676 flat angles P-C4'-P energy: -2.707 tors. eta vs tors. theta energy: -2.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -27.409089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.409089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.409089 (E_RNA) where: Base-Base interactions energy: -11.418 where: short stacking energy: -11.418 Base-Backbone interact. energy: -0.000 local terms energy: -15.990731 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -2.836 flat angles P-C4'-P energy: -2.841 tors. eta vs tors. theta energy: -2.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -21.626160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.626160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.626160 (E_RNA) where: Base-Base interactions energy: -6.633 where: short stacking energy: -6.633 Base-Backbone interact. energy: -0.000 local terms energy: -14.993461 where: bonds (distance) C4'-P energy: -3.036 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -3.415 flat angles P-C4'-P energy: -3.576 tors. eta vs tors. theta energy: -0.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -32.148818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.148818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.148818 (E_RNA) where: Base-Base interactions energy: -12.142 where: short stacking energy: -12.142 Base-Backbone interact. energy: -0.000 local terms energy: -20.007232 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.750 flat angles P-C4'-P energy: -2.792 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: 78 Temperature: 0.950000 Total energy: -25.550714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.550714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.550714 (E_RNA) where: Base-Base interactions energy: -11.062 where: short stacking energy: -11.062 Base-Backbone interact. energy: -0.205 local terms energy: -14.284123 where: bonds (distance) C4'-P energy: -0.921 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.087 flat angles P-C4'-P energy: -1.778 tors. eta vs tors. theta energy: -3.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -31.009616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.009616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.009616 (E_RNA) where: Base-Base interactions energy: -9.453 where: short stacking energy: -9.453 Base-Backbone interact. energy: -0.000 local terms energy: -21.556911 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.874 flat angles P-C4'-P energy: -2.704 tors. eta vs tors. theta energy: -5.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -21.559597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.559597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.559597 (E_RNA) where: Base-Base interactions energy: -5.061 where: short stacking energy: -5.061 Base-Backbone interact. energy: -0.000 local terms energy: -16.498389 where: bonds (distance) C4'-P energy: -2.751 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -3.790 flat angles P-C4'-P energy: -3.795 tors. eta vs tors. theta energy: -1.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -26.519538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.519538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.519538 (E_RNA) where: Base-Base interactions energy: -9.462 where: short stacking energy: -9.462 Base-Backbone interact. energy: -0.000 local terms energy: -17.057010 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -3.320 flat angles P-C4'-P energy: -2.139 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: 6, replica: 4 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -23.389912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.389912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.389912 (E_RNA) where: Base-Base interactions energy: -8.994 where: short stacking energy: -8.994 Base-Backbone interact. energy: -0.001 local terms energy: -14.395328 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -2.929 flat angles P-C4'-P energy: -2.018 tors. eta vs tors. theta energy: 0.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -20.626367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.626367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.626367 (E_RNA) where: Base-Base interactions energy: -7.018 where: short stacking energy: -7.018 Base-Backbone interact. energy: -0.002 local terms energy: -13.605778 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -2.767 flat angles P-C4'-P energy: -2.418 tors. eta vs tors. theta energy: 1.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -24.140657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.140657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.140657 (E_RNA) where: Base-Base interactions energy: -7.825 where: short stacking energy: -7.825 Base-Backbone interact. energy: -0.007 local terms energy: -16.308701 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.273 flat angles P-C4'-P energy: -2.392 tors. eta vs tors. theta energy: -1.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -21.739121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.739121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.739121 (E_RNA) where: Base-Base interactions energy: -5.838 where: short stacking energy: -5.838 Base-Backbone interact. energy: -0.000 local terms energy: -15.900873 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.569 flat angles C4'-P-C4' energy: -4.394 flat angles P-C4'-P energy: -2.667 tors. eta vs tors. theta energy: -0.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -21.239760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.239760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.239760 (E_RNA) where: Base-Base interactions energy: -3.599 where: short stacking energy: -3.599 Base-Backbone interact. energy: -0.002 local terms energy: -17.639011 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.731 flat angles P-C4'-P energy: -3.701 tors. eta vs tors. theta energy: -1.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -26.539756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.539756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.539756 (E_RNA) where: Base-Base interactions energy: -8.436 where: short stacking energy: -8.436 Base-Backbone interact. energy: -0.001 local terms energy: -18.102465 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.397 flat angles P-C4'-P energy: -1.851 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: 2, replica: 7 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -29.294169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.294169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.294169 (E_RNA) where: Base-Base interactions energy: -12.444 where: short stacking energy: -12.444 Base-Backbone interact. energy: -0.005 local terms energy: -16.844537 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -3.557 flat angles C4'-P-C4' energy: -2.879 flat angles P-C4'-P energy: -3.093 tors. eta vs tors. theta energy: -2.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -28.243084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.243084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.243084 (E_RNA) where: Base-Base interactions energy: -7.982 where: short stacking energy: -7.982 Base-Backbone interact. energy: -0.000 local terms energy: -20.261494 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.590 flat angles P-C4'-P energy: -3.665 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: 2 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -25.091913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.091913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.091913 (E_RNA) where: Base-Base interactions energy: -8.692 where: short stacking energy: -8.692 Base-Backbone interact. energy: -0.000 local terms energy: -16.399461 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -1.841 flat angles P-C4'-P energy: -3.702 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: 6 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -23.355090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.355090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.355090 (E_RNA) where: Base-Base interactions energy: -7.373 where: short stacking energy: -7.373 Base-Backbone interact. energy: -0.000 local terms energy: -15.981797 where: bonds (distance) C4'-P energy: -2.859 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -3.653 flat angles P-C4'-P energy: -3.363 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: 6, replica: 8 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -26.257580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.257580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.257580 (E_RNA) where: Base-Base interactions energy: -9.850 where: short stacking energy: -9.850 Base-Backbone interact. energy: -0.008 local terms energy: -16.399960 where: bonds (distance) C4'-P energy: -3.451 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -3.193 flat angles P-C4'-P energy: -1.927 tors. eta vs tors. theta energy: -3.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -22.410548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.410548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.410548 (E_RNA) where: Base-Base interactions energy: -6.607 where: short stacking energy: -6.607 Base-Backbone interact. energy: -0.083 local terms energy: -15.720888 where: bonds (distance) C4'-P energy: -1.799 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.023 flat angles P-C4'-P energy: -3.880 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: 8, replica: 1 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -22.296067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.296067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.296067 (E_RNA) where: Base-Base interactions energy: -6.186 where: short stacking energy: -6.186 Base-Backbone interact. energy: -0.000 local terms energy: -16.109615 where: bonds (distance) C4'-P energy: -2.503 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.839 flat angles P-C4'-P energy: -3.643 tors. eta vs tors. theta energy: -1.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -21.098882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.098882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.098882 (E_RNA) where: Base-Base interactions energy: -7.590 where: short stacking energy: -7.590 Base-Backbone interact. energy: -0.011 local terms energy: -13.497925 where: bonds (distance) C4'-P energy: -3.202 bonds (distance) P-C4' energy: -3.821 flat angles C4'-P-C4' energy: -4.028 flat angles P-C4'-P energy: -2.492 tors. eta vs tors. theta energy: 0.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -20.006076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.006076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.006076 (E_RNA) where: Base-Base interactions energy: -7.556 where: short stacking energy: -7.556 Base-Backbone interact. energy: -0.002 local terms energy: -12.448146 where: bonds (distance) C4'-P energy: -3.479 bonds (distance) P-C4' energy: -3.360 flat angles C4'-P-C4' energy: -3.362 flat angles P-C4'-P energy: -1.573 tors. eta vs tors. theta energy: -0.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -26.870442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.870442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.870442 (E_RNA) where: Base-Base interactions energy: -8.886 where: short stacking energy: -8.886 Base-Backbone interact. energy: -0.001 local terms energy: -17.983263 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.370 flat angles C4'-P-C4' energy: -3.892 flat angles P-C4'-P energy: -3.354 tors. eta vs tors. theta energy: -1.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -28.418796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.418796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.418796 (E_RNA) where: Base-Base interactions energy: -10.488 where: short stacking energy: -10.488 Base-Backbone interact. energy: -0.002 local terms energy: -17.928063 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -1.937 flat angles P-C4'-P energy: -2.923 tors. eta vs tors. theta energy: -3.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -30.622618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.622618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.622618 (E_RNA) where: Base-Base interactions energy: -11.319 where: short stacking energy: -11.319 Base-Backbone interact. energy: -0.015 local terms energy: -19.288335 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.394 flat angles P-C4'-P energy: -3.381 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: 9 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -25.592774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.592774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.592774 (E_RNA) where: Base-Base interactions energy: -8.305 where: short stacking energy: -8.305 Base-Backbone interact. energy: -0.000 local terms energy: -17.288186 where: bonds (distance) C4'-P energy: -3.264 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.025 flat angles P-C4'-P energy: -2.363 tors. eta vs tors. theta energy: -2.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -25.175582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.175582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.175582 (E_RNA) where: Base-Base interactions energy: -5.643 where: short stacking energy: -5.643 Base-Backbone interact. energy: -0.000 local terms energy: -19.532157 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -3.623 flat angles P-C4'-P energy: -3.341 tors. eta vs tors. theta energy: -3.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -24.844470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.844470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.844470 (E_RNA) where: Base-Base interactions energy: -7.389 where: short stacking energy: -7.389 Base-Backbone interact. energy: -0.000 local terms energy: -17.455322 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -2.610 flat angles P-C4'-P energy: -2.759 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: 7, replica: 1 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -21.136660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.136660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.136660 (E_RNA) where: Base-Base interactions energy: -3.297 where: short stacking energy: -3.297 Base-Backbone interact. energy: -0.000 local terms energy: -17.839736 where: bonds (distance) C4'-P energy: -3.637 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.922 flat angles P-C4'-P energy: -3.807 tors. eta vs tors. theta energy: -1.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -22.564919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.564919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.564919 (E_RNA) where: Base-Base interactions energy: -7.396 where: short stacking energy: -7.396 Base-Backbone interact. energy: -0.017 local terms energy: -15.151086 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -2.902 flat angles P-C4'-P energy: -1.810 tors. eta vs tors. theta energy: -1.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -20.883506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.883506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.883506 (E_RNA) where: Base-Base interactions energy: -7.495 where: short stacking energy: -7.495 Base-Backbone interact. energy: -0.000 local terms energy: -13.388093 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -3.205 flat angles C4'-P-C4' energy: -3.091 flat angles P-C4'-P energy: -2.521 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: 10, replica: 10 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -22.371441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.371441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.371441 (E_RNA) where: Base-Base interactions energy: -5.934 where: short stacking energy: -5.934 Base-Backbone interact. energy: -0.000 local terms energy: -16.437131 where: bonds (distance) C4'-P energy: -3.264 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.411 flat angles P-C4'-P energy: -1.346 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: 1, replica: 7 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -29.489549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.489549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.489549 (E_RNA) where: Base-Base interactions energy: -10.235 where: short stacking energy: -10.235 Base-Backbone interact. energy: -0.000 local terms energy: -19.254143 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.463 flat angles P-C4'-P energy: -2.977 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: 2, replica: 2 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -26.406207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.406207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.406207 (E_RNA) where: Base-Base interactions energy: -9.200 where: short stacking energy: -9.200 Base-Backbone interact. energy: -0.000 local terms energy: -17.206501 where: bonds (distance) C4'-P energy: -2.689 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -2.646 flat angles P-C4'-P energy: -2.906 tors. eta vs tors. theta energy: -3.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -27.216350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.216350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.216350 (E_RNA) where: Base-Base interactions energy: -9.658 where: short stacking energy: -9.658 Base-Backbone interact. energy: -0.000 local terms energy: -17.558552 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.321 flat angles C4'-P-C4' energy: -3.155 flat angles P-C4'-P energy: -3.219 tors. eta vs tors. theta energy: -3.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -26.580874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.580874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.580874 (E_RNA) where: Base-Base interactions energy: -10.819 where: short stacking energy: -10.819 Base-Backbone interact. energy: -0.064 local terms energy: -15.697967 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.938 flat angles P-C4'-P energy: -1.590 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: 5, replica: 9 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -29.995503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.995503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.995503 (E_RNA) where: Base-Base interactions energy: -10.961 where: short stacking energy: -10.961 Base-Backbone interact. energy: -0.000 local terms energy: -19.034723 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -3.900 flat angles P-C4'-P energy: -2.686 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: 1 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -22.085787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.085787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.085787 (E_RNA) where: Base-Base interactions energy: -6.916 where: short stacking energy: -6.916 Base-Backbone interact. energy: -0.001 local terms energy: -15.169129 where: bonds (distance) C4'-P energy: -3.425 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.730 flat angles P-C4'-P energy: -1.281 tors. eta vs tors. theta energy: -1.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -21.210759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.210759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.210759 (E_RNA) where: Base-Base interactions energy: -6.530 where: short stacking energy: -6.530 Base-Backbone interact. energy: -0.000 local terms energy: -14.681169 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -2.717 flat angles C4'-P-C4' energy: -3.864 flat angles P-C4'-P energy: -2.737 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: 8, replica: 5 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -18.873330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.873330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.873330 (E_RNA) where: Base-Base interactions energy: -4.704 where: short stacking energy: -4.704 Base-Backbone interact. energy: -0.014 local terms energy: -14.154471 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -4.342 flat angles C4'-P-C4' energy: -3.029 flat angles P-C4'-P energy: -3.086 tors. eta vs tors. theta energy: 0.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -19.533153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.533153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.533153 (E_RNA) where: Base-Base interactions energy: -6.372 where: short stacking energy: -6.372 Base-Backbone interact. energy: -0.002 local terms energy: -13.158861 where: bonds (distance) C4'-P energy: -2.254 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -2.436 flat angles P-C4'-P energy: -3.539 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: 10, replica: 10 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -25.541894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.541894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.541894 (E_RNA) where: Base-Base interactions energy: -11.602 where: short stacking energy: -11.602 Base-Backbone interact. energy: -0.001 local terms energy: -13.938846 where: bonds (distance) C4'-P energy: -1.919 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -4.485 flat angles P-C4'-P energy: -1.670 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: 1, replica: 2 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -27.826031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.826031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.826031 (E_RNA) where: Base-Base interactions energy: -10.395 where: short stacking energy: -10.395 Base-Backbone interact. energy: -0.017 local terms energy: -17.413542 where: bonds (distance) C4'-P energy: -2.565 bonds (distance) P-C4' energy: -3.370 flat angles C4'-P-C4' energy: -4.485 flat angles P-C4'-P energy: -3.595 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: 2, replica: 7 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -26.518755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.518755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.518755 (E_RNA) where: Base-Base interactions energy: -9.791 where: short stacking energy: -9.791 Base-Backbone interact. energy: -0.098 local terms energy: -16.629779 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -3.751 flat angles C4'-P-C4' energy: -3.557 flat angles P-C4'-P energy: -3.241 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: 3, replica: 8 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -24.872736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.872736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.872736 (E_RNA) where: Base-Base interactions energy: -7.548 where: short stacking energy: -7.548 Base-Backbone interact. energy: -0.001 local terms energy: -17.323477 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -4.180 flat angles C4'-P-C4' energy: -3.112 flat angles P-C4'-P energy: -4.062 tors. eta vs tors. theta energy: -2.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -26.042982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.042982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.042982 (E_RNA) where: Base-Base interactions energy: -10.141 where: short stacking energy: -10.141 Base-Backbone interact. energy: -0.000 local terms energy: -15.901869 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -2.842 flat angles C4'-P-C4' energy: -4.025 flat angles P-C4'-P energy: -1.520 tors. eta vs tors. theta energy: -3.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -25.179803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.179803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.179803 (E_RNA) where: Base-Base interactions energy: -7.454 where: short stacking energy: -7.454 Base-Backbone interact. energy: -0.000 local terms energy: -17.725519 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.290 flat angles P-C4'-P energy: -2.468 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: 6, replica: 9 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -23.002038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.002038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.002038 (E_RNA) where: Base-Base interactions energy: -7.664 where: short stacking energy: -7.664 Base-Backbone interact. energy: -0.001 local terms energy: -15.337062 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -3.360 flat angles C4'-P-C4' energy: -2.576 flat angles P-C4'-P energy: -3.920 tors. eta vs tors. theta energy: -1.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -24.850893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.850893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.850893 (E_RNA) where: Base-Base interactions energy: -6.528 where: short stacking energy: -6.528 Base-Backbone interact. energy: -0.000 local terms energy: -18.322525 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.819 flat angles P-C4'-P energy: -2.953 tors. eta vs tors. theta energy: -2.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -23.529902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.529902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.529902 (E_RNA) where: Base-Base interactions energy: -7.076 where: short stacking energy: -7.076 Base-Backbone interact. energy: -0.000 local terms energy: -16.453835 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -2.929 flat angles P-C4'-P energy: -1.014 tors. eta vs tors. theta energy: -3.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -29.675621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.675621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.675621 (E_RNA) where: Base-Base interactions energy: -12.154 where: short stacking energy: -12.154 Base-Backbone interact. energy: -0.002 local terms energy: -17.519523 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -4.360 flat angles P-C4'-P energy: -3.205 tors. eta vs tors. theta energy: -1.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -20.915915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.915915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.915915 (E_RNA) where: Base-Base interactions energy: -4.573 where: short stacking energy: -4.763 Base-Backbone interact. energy: -0.023 local terms energy: -16.319402 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -4.575 flat angles C4'-P-C4' energy: -4.310 flat angles P-C4'-P energy: -3.770 tors. eta vs tors. theta energy: 0.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -29.210959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.210959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.210959 (E_RNA) where: Base-Base interactions energy: -7.942 where: short stacking energy: -7.942 Base-Backbone interact. energy: -0.000 local terms energy: -21.269449 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.732 flat angles P-C4'-P energy: -3.708 tors. eta vs tors. theta energy: -3.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -31.526599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.526599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.526599 (E_RNA) where: Base-Base interactions energy: -11.523 where: short stacking energy: -11.523 Base-Backbone interact. energy: -0.000 local terms energy: -20.004089 where: bonds (distance) C4'-P energy: -3.185 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.084 flat angles P-C4'-P energy: -3.372 tors. eta vs tors. theta energy: -4.270 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: 7 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -31.706115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.706115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.706115 (E_RNA) where: Base-Base interactions energy: -10.970 where: short stacking energy: -10.970 Base-Backbone interact. energy: -0.000 local terms energy: -20.735822 where: bonds (distance) C4'-P energy: -4.270 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.305 flat angles P-C4'-P energy: -2.355 tors. eta vs tors. theta energy: -4.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -26.531367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.531367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.531367 (E_RNA) where: Base-Base interactions energy: -7.354 where: short stacking energy: -7.354 Base-Backbone interact. energy: -0.000 local terms energy: -19.177272 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -3.061 flat angles P-C4'-P energy: -2.867 tors. eta vs tors. theta energy: -4.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -21.909339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.909339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.909339 (E_RNA) where: Base-Base interactions energy: -4.148 where: short stacking energy: -4.148 Base-Backbone interact. energy: -0.001 local terms energy: -17.760918 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.708 flat angles P-C4'-P energy: -1.889 tors. eta vs tors. theta energy: -2.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -20.007691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.007691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.007691 (E_RNA) where: Base-Base interactions energy: -4.120 where: short stacking energy: -4.120 Base-Backbone interact. energy: -0.026 local terms energy: -15.861412 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.063 flat angles P-C4'-P energy: -3.349 tors. eta vs tors. theta energy: 0.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -23.852851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.852851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.852851 (E_RNA) where: Base-Base interactions energy: -5.014 where: short stacking energy: -5.014 Base-Backbone interact. energy: -0.000 local terms energy: -18.838968 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.731 flat angles P-C4'-P energy: -3.477 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: 8, replica: 10 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -22.957635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.957635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.957635 (E_RNA) where: Base-Base interactions energy: -6.241 where: short stacking energy: -6.241 Base-Backbone interact. energy: -0.039 local terms energy: -16.677576 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -4.836 flat angles P-C4'-P energy: -3.430 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: 6 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -27.772632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.772632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.772632 (E_RNA) where: Base-Base interactions energy: -5.703 where: short stacking energy: -5.703 Base-Backbone interact. energy: -0.000 local terms energy: -22.069261 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.869 flat angles P-C4'-P energy: -3.496 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: 10, replica: 4 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -22.189918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.189918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.189918 (E_RNA) where: Base-Base interactions energy: -8.381 where: short stacking energy: -8.381 Base-Backbone interact. energy: -0.000 local terms energy: -13.808589 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -2.091 flat angles C4'-P-C4' energy: -4.046 flat angles P-C4'-P energy: -1.794 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: 1, replica: 8 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -22.517765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.517765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.517765 (E_RNA) where: Base-Base interactions energy: -7.118 where: short stacking energy: -7.118 Base-Backbone interact. energy: -0.001 local terms energy: -15.398680 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -3.401 flat angles P-C4'-P energy: -2.438 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: 2, replica: 2 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -32.116806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.116806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.116806 (E_RNA) where: Base-Base interactions energy: -11.825 where: short stacking energy: -11.825 Base-Backbone interact. energy: -0.000 local terms energy: -20.291427 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.659 flat angles P-C4'-P energy: -3.012 tors. eta vs tors. theta energy: -4.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -23.379922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.379922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.379922 (E_RNA) where: Base-Base interactions energy: -6.291 where: short stacking energy: -6.291 Base-Backbone interact. energy: -0.000 local terms energy: -17.088888 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.082 flat angles P-C4'-P energy: -3.690 tors. eta vs tors. theta energy: -1.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -22.889458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.889458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.889458 (E_RNA) where: Base-Base interactions energy: -3.183 where: short stacking energy: -3.183 Base-Backbone interact. energy: -0.024 local terms energy: -19.683051 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.681 flat angles P-C4'-P energy: -3.460 tors. eta vs tors. theta energy: -2.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -22.094564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.094564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.094564 (E_RNA) where: Base-Base interactions energy: -6.853 where: short stacking energy: -6.853 Base-Backbone interact. energy: -0.000 local terms energy: -15.241604 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -2.925 flat angles P-C4'-P energy: -1.729 tors. eta vs tors. theta energy: -1.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -23.230919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.230919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.230919 (E_RNA) where: Base-Base interactions energy: -4.910 where: short stacking energy: -4.910 Base-Backbone interact. energy: -0.000 local terms energy: -18.320868 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.203 flat angles P-C4'-P energy: -3.459 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: 7, replica: 9 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -20.201437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.201437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.201437 (E_RNA) where: Base-Base interactions energy: -3.535 where: short stacking energy: -3.535 Base-Backbone interact. energy: -0.000 local terms energy: -16.666231 where: bonds (distance) C4'-P energy: -3.522 bonds (distance) P-C4' energy: -3.515 flat angles C4'-P-C4' energy: -3.943 flat angles P-C4'-P energy: -3.425 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: 8, replica: 10 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -20.969315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.969315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.969315 (E_RNA) where: Base-Base interactions energy: -4.404 where: short stacking energy: -4.404 Base-Backbone interact. energy: -0.101 local terms energy: -16.464261 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.151 flat angles P-C4'-P energy: -2.258 tors. eta vs tors. theta energy: -2.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -23.465770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.465770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.465770 (E_RNA) where: Base-Base interactions energy: -5.658 where: short stacking energy: -5.658 Base-Backbone interact. energy: -0.000 local terms energy: -17.807843 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -3.572 flat angles P-C4'-P energy: -3.574 tors. eta vs tors. theta energy: -2.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -21.234080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.234080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.234080 (E_RNA) where: Base-Base interactions energy: -8.065 where: short stacking energy: -8.065 Base-Backbone interact. energy: -0.000 local terms energy: -13.168909 where: bonds (distance) C4'-P energy: -0.192 bonds (distance) P-C4' energy: -3.895 flat angles C4'-P-C4' energy: -3.391 flat angles P-C4'-P energy: -1.867 tors. eta vs tors. theta energy: -3.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -28.601574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.601574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.601574 (E_RNA) where: Base-Base interactions energy: -10.437 where: short stacking energy: -10.437 Base-Backbone interact. energy: -0.000 local terms energy: -18.164086 where: bonds (distance) C4'-P energy: -3.761 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.436 flat angles P-C4'-P energy: -1.926 tors. eta vs tors. theta energy: -3.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -26.532369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.532369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.532369 (E_RNA) where: Base-Base interactions energy: -7.096 where: short stacking energy: -7.096 Base-Backbone interact. energy: -0.000 local terms energy: -19.436084 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.199 flat angles P-C4'-P energy: -2.171 tors. eta vs tors. theta energy: -4.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -26.301197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.301197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.301197 (E_RNA) where: Base-Base interactions energy: -7.050 where: short stacking energy: -7.050 Base-Backbone interact. energy: -0.001 local terms energy: -19.250574 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.821 flat angles P-C4'-P energy: -3.873 tors. eta vs tors. theta energy: -2.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -31.253599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.253599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.253599 (E_RNA) where: Base-Base interactions energy: -10.575 where: short stacking energy: -10.575 Base-Backbone interact. energy: -0.000 local terms energy: -20.678432 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.420 flat angles C4'-P-C4' energy: -4.152 flat angles P-C4'-P energy: -4.062 tors. eta vs tors. theta energy: -3.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -23.682482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.682482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.682482 (E_RNA) where: Base-Base interactions energy: -7.461 where: short stacking energy: -7.461 Base-Backbone interact. energy: -0.000 local terms energy: -16.221599 where: bonds (distance) C4'-P energy: -3.479 bonds (distance) P-C4' energy: -3.984 flat angles C4'-P-C4' energy: -4.574 flat angles P-C4'-P energy: -3.488 tors. eta vs tors. theta energy: -0.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -21.521756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.521756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.521756 (E_RNA) where: Base-Base interactions energy: -6.924 where: short stacking energy: -6.924 Base-Backbone interact. energy: -0.000 local terms energy: -14.597304 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.221 flat angles P-C4'-P energy: -1.918 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: 7, replica: 3 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -24.030785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.030785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.030785 (E_RNA) where: Base-Base interactions energy: -5.973 where: short stacking energy: -5.973 Base-Backbone interact. energy: -0.000 local terms energy: -18.057518 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.558 flat angles P-C4'-P energy: -2.304 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: 8, replica: 4 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -21.190456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.190456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.190456 (E_RNA) where: Base-Base interactions energy: -6.904 where: short stacking energy: -7.503 Base-Backbone interact. energy: -0.003 local terms energy: -14.283550 where: bonds (distance) C4'-P energy: -2.689 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.180 flat angles P-C4'-P energy: -2.099 tors. eta vs tors. theta energy: -1.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -22.528875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.528875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.528875 (E_RNA) where: Base-Base interactions energy: -5.201 where: short stacking energy: -5.201 Base-Backbone interact. energy: -0.000 local terms energy: -17.328311 where: bonds (distance) C4'-P energy: -2.892 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.946 flat angles P-C4'-P energy: -2.867 tors. eta vs tors. theta energy: -2.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -21.909434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.909434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.909434 (E_RNA) where: Base-Base interactions energy: -7.046 where: short stacking energy: -7.046 Base-Backbone interact. energy: -0.064 local terms energy: -14.799963 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -2.956 flat angles P-C4'-P energy: -2.278 tors. eta vs tors. theta energy: 0.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -31.733306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.733306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.733306 (E_RNA) where: Base-Base interactions energy: -11.052 where: short stacking energy: -11.052 Base-Backbone interact. energy: -0.000 local terms energy: -20.681159 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -3.751 flat angles C4'-P-C4' energy: -4.839 flat angles P-C4'-P energy: -2.534 tors. eta vs tors. theta energy: -5.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -31.697896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.697896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.697896 (E_RNA) where: Base-Base interactions energy: -11.353 where: short stacking energy: -11.353 Base-Backbone interact. energy: -0.000 local terms energy: -20.344405 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -3.984 flat angles C4'-P-C4' energy: -4.314 flat angles P-C4'-P energy: -3.785 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: 3, replica: 7 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -30.305256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.305256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.305256 (E_RNA) where: Base-Base interactions energy: -11.825 where: short stacking energy: -11.825 Base-Backbone interact. energy: -0.000 local terms energy: -18.480109 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -3.131 flat angles C4'-P-C4' energy: -2.707 flat angles P-C4'-P energy: -3.794 tors. eta vs tors. theta energy: -4.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -25.170724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.170724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.170724 (E_RNA) where: Base-Base interactions energy: -11.616 where: short stacking energy: -11.616 Base-Backbone interact. energy: -0.097 local terms energy: -13.457465 where: bonds (distance) C4'-P energy: -1.882 bonds (distance) P-C4' energy: -3.370 flat angles C4'-P-C4' energy: -4.326 flat angles P-C4'-P energy: -3.111 tors. eta vs tors. theta energy: -0.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -25.849520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.849520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.849520 (E_RNA) where: Base-Base interactions energy: -7.586 where: short stacking energy: -7.586 Base-Backbone interact. energy: -0.012 local terms energy: -18.251861 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.926 flat angles P-C4'-P energy: -3.825 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: 6, replica: 5 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -20.001294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.001294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.001294 (E_RNA) where: Base-Base interactions energy: -3.365 where: short stacking energy: -3.365 Base-Backbone interact. energy: -0.198 local terms energy: -16.438782 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.764 flat angles P-C4'-P energy: -3.055 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: 7, replica: 4 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -21.787853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.787853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.787853 (E_RNA) where: Base-Base interactions energy: -6.601 where: short stacking energy: -6.601 Base-Backbone interact. energy: -0.000 local terms energy: -15.186980 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -2.263 flat angles P-C4'-P energy: -1.962 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: 3 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -23.895107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.895107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.895107 (E_RNA) where: Base-Base interactions energy: -7.507 where: short stacking energy: -7.507 Base-Backbone interact. energy: -0.061 local terms energy: -16.327076 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.629 flat angles P-C4'-P energy: -3.732 tors. eta vs tors. theta energy: -0.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -22.049771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.049771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.049771 (E_RNA) where: Base-Base interactions energy: -5.156 where: short stacking energy: -3.927 Base-Backbone interact. energy: -0.000 local terms energy: -16.893805 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -2.352 flat angles P-C4'-P energy: -3.647 tors. eta vs tors. theta energy: -1.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -18.551987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.551987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.551987 (E_RNA) where: Base-Base interactions energy: -4.339 where: short stacking energy: -4.339 Base-Backbone interact. energy: -0.001 local terms energy: -14.212253 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -2.914 flat angles P-C4'-P energy: -1.594 tors. eta vs tors. theta energy: -0.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -29.655841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.655841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.655841 (E_RNA) where: Base-Base interactions energy: -10.758 where: short stacking energy: -10.758 Base-Backbone interact. energy: -0.004 local terms energy: -18.893444 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.232 flat angles P-C4'-P energy: -3.126 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: 2, replica: 7 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -30.383036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.383036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.383036 (E_RNA) where: Base-Base interactions energy: -11.972 where: short stacking energy: -11.972 Base-Backbone interact. energy: -0.000 local terms energy: -18.410874 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -3.398 flat angles C4'-P-C4' energy: -4.290 flat angles P-C4'-P energy: -3.021 tors. eta vs tors. theta energy: -4.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -24.133455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.133455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.133455 (E_RNA) where: Base-Base interactions energy: -7.389 where: short stacking energy: -7.389 Base-Backbone interact. energy: -0.000 local terms energy: -16.743545 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -4.373 flat angles C4'-P-C4' energy: -3.167 flat angles P-C4'-P energy: -2.667 tors. eta vs tors. theta energy: -2.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -25.296971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.296971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.296971 (E_RNA) where: Base-Base interactions energy: -8.321 where: short stacking energy: -8.321 Base-Backbone interact. energy: -0.092 local terms energy: -16.884023 where: bonds (distance) C4'-P energy: -1.525 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.113 flat angles P-C4'-P energy: -3.469 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: 5, replica: 2 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -27.016591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.016591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.016591 (E_RNA) where: Base-Base interactions energy: -7.056 where: short stacking energy: -7.056 Base-Backbone interact. energy: -0.000 local terms energy: -19.960508 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.780 flat angles P-C4'-P energy: -3.672 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: 6, replica: 4 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -25.458620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.458620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.458620 (E_RNA) where: Base-Base interactions energy: -7.052 where: short stacking energy: -7.052 Base-Backbone interact. energy: -0.000 local terms energy: -18.406847 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -4.576 flat angles P-C4'-P energy: -1.234 tors. eta vs tors. theta energy: -4.104 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: 5 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -24.480027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.480027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.480027 (E_RNA) where: Base-Base interactions energy: -6.862 where: short stacking energy: -6.862 Base-Backbone interact. energy: -0.000 local terms energy: -17.617525 where: bonds (distance) C4'-P energy: -4.535 bonds (distance) P-C4' energy: -4.572 flat angles C4'-P-C4' energy: -4.311 flat angles P-C4'-P energy: -1.876 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: 8, replica: 6 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -21.645299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.645299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.645299 (E_RNA) where: Base-Base interactions energy: -7.385 where: short stacking energy: -7.385 Base-Backbone interact. energy: -0.000 local terms energy: -14.259605 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.575 flat angles C4'-P-C4' energy: -3.290 flat angles P-C4'-P energy: -2.778 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: 9, replica: 3 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -20.782926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.782926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.782926 (E_RNA) where: Base-Base interactions energy: -6.540 where: short stacking energy: -6.651 Base-Backbone interact. energy: -0.053 local terms energy: -14.189525 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -3.174 flat angles C4'-P-C4' energy: -4.025 flat angles P-C4'-P energy: -2.107 tors. eta vs tors. theta energy: -1.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -19.306094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.306094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.306094 (E_RNA) where: Base-Base interactions energy: -5.944 where: short stacking energy: -5.944 Base-Backbone interact. energy: -0.118 local terms energy: -13.244101 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -3.636 flat angles P-C4'-P energy: -1.179 tors. eta vs tors. theta energy: 0.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -29.088309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.088309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.088309 (E_RNA) where: Base-Base interactions energy: -11.993 where: short stacking energy: -11.993 Base-Backbone interact. energy: -0.000 local terms energy: -17.094828 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.297 flat angles P-C4'-P energy: -3.155 tors. eta vs tors. theta energy: -1.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -25.005521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.005521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.005521 (E_RNA) where: Base-Base interactions energy: -9.029 where: short stacking energy: -9.029 Base-Backbone interact. energy: -0.001 local terms energy: -15.975443 where: bonds (distance) C4'-P energy: -2.804 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -3.688 flat angles P-C4'-P energy: -3.173 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: 3, replica: 9 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -27.187298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.187298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.187298 (E_RNA) where: Base-Base interactions energy: -11.606 where: short stacking energy: -11.606 Base-Backbone interact. energy: -0.000 local terms energy: -15.580930 where: bonds (distance) C4'-P energy: -2.564 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -2.322 flat angles P-C4'-P energy: -2.503 tors. eta vs tors. theta energy: -3.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -22.856712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.856712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.856712 (E_RNA) where: Base-Base interactions energy: -7.287 where: short stacking energy: -7.287 Base-Backbone interact. energy: -0.000 local terms energy: -15.569656 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -2.182 flat angles P-C4'-P energy: -3.123 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: 4 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -21.316477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.316477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.316477 (E_RNA) where: Base-Base interactions energy: -5.975 where: short stacking energy: -5.975 Base-Backbone interact. energy: -0.000 local terms energy: -15.341750 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -2.776 flat angles P-C4'-P energy: -1.903 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: 2 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -23.803776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.803776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.803776 (E_RNA) where: Base-Base interactions energy: -7.361 where: short stacking energy: -3.863 Base-Backbone interact. energy: -0.091 local terms energy: -16.351769 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -2.171 flat angles P-C4'-P energy: -3.891 tors. eta vs tors. theta energy: -0.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -21.158144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.158144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.158144 (E_RNA) where: Base-Base interactions energy: -2.013 where: short stacking energy: -2.013 Base-Backbone interact. energy: -0.000 local terms energy: -19.145275 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.682 flat angles P-C4'-P energy: -3.135 tors. eta vs tors. theta energy: -1.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -21.597099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.597099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.597099 (E_RNA) where: Base-Base interactions energy: -6.830 where: short stacking energy: -6.830 Base-Backbone interact. energy: -0.038 local terms energy: -14.729690 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -3.639 flat angles P-C4'-P energy: -3.698 tors. eta vs tors. theta energy: 1.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -20.703486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.703486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.703486 (E_RNA) where: Base-Base interactions energy: -6.681 where: short stacking energy: -6.681 Base-Backbone interact. energy: -0.213 local terms energy: -13.809906 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -2.591 flat angles P-C4'-P energy: -3.202 tors. eta vs tors. theta energy: 1.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -20.661746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.661746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.661746 (E_RNA) where: Base-Base interactions energy: -5.264 where: short stacking energy: -5.264 Base-Backbone interact. energy: -0.000 local terms energy: -15.397249 where: bonds (distance) C4'-P energy: -3.177 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -4.167 flat angles P-C4'-P energy: -2.029 tors. eta vs tors. theta energy: -1.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -27.023875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.023875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.023875 (E_RNA) where: Base-Base interactions energy: -9.123 where: short stacking energy: -9.123 Base-Backbone interact. energy: -0.000 local terms energy: -17.900358 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -3.934 flat angles P-C4'-P energy: -3.574 tors. eta vs tors. theta energy: -1.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -28.339564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.339564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.339564 (E_RNA) where: Base-Base interactions energy: -11.501 where: short stacking energy: -11.501 Base-Backbone interact. energy: -0.026 local terms energy: -16.812383 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.012 flat angles P-C4'-P energy: -1.385 tors. eta vs tors. theta energy: -2.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -22.882944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.882944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.882944 (E_RNA) where: Base-Base interactions energy: -8.472 where: short stacking energy: -8.472 Base-Backbone interact. energy: -0.000 local terms energy: -14.410374 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.398 flat angles P-C4'-P energy: -0.905 tors. eta vs tors. theta energy: 0.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -25.344819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.344819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.344819 (E_RNA) where: Base-Base interactions energy: -7.248 where: short stacking energy: -7.248 Base-Backbone interact. energy: -0.000 local terms energy: -18.097122 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -4.413 flat angles C4'-P-C4' energy: -4.123 flat angles P-C4'-P energy: -2.901 tors. eta vs tors. theta energy: -2.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -23.229170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.229170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.229170 (E_RNA) where: Base-Base interactions energy: -5.392 where: short stacking energy: -5.392 Base-Backbone interact. energy: -0.001 local terms energy: -17.837044 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.962 flat angles P-C4'-P energy: -3.575 tors. eta vs tors. theta energy: -1.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -22.976094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.976094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.976094 (E_RNA) where: Base-Base interactions energy: -5.313 where: short stacking energy: -5.313 Base-Backbone interact. energy: 0.040 local terms energy: -17.703578 where: bonds (distance) C4'-P energy: -2.606 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.681 flat angles P-C4'-P energy: -1.954 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: 7, replica: 2 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -23.213726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.213726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.213726 (E_RNA) where: Base-Base interactions energy: -7.172 where: short stacking energy: -7.172 Base-Backbone interact. energy: -0.000 local terms energy: -16.041591 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -4.051 flat angles C4'-P-C4' energy: -2.145 flat angles P-C4'-P energy: -2.214 tors. eta vs tors. theta energy: -3.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -19.320732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.320732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.320732 (E_RNA) where: Base-Base interactions energy: -5.509 where: short stacking energy: -5.509 Base-Backbone interact. energy: -0.009 local terms energy: -13.802934 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.519 flat angles P-C4'-P energy: -1.821 tors. eta vs tors. theta energy: 0.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -20.689262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.689262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.689262 (E_RNA) where: Base-Base interactions energy: -6.775 where: short stacking energy: -6.775 Base-Backbone interact. energy: 0.030 local terms energy: -13.944815 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -3.321 flat angles C4'-P-C4' energy: -4.169 flat angles P-C4'-P energy: -0.538 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: 10, replica: 3 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -25.960088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.960088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.960088 (E_RNA) where: Base-Base interactions energy: -6.414 where: short stacking energy: -6.414 Base-Backbone interact. energy: -0.000 local terms energy: -19.545805 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.187 flat angles P-C4'-P energy: -4.003 tors. eta vs tors. theta energy: -2.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -29.507135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.507135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.507135 (E_RNA) where: Base-Base interactions energy: -10.536 where: short stacking energy: -10.536 Base-Backbone interact. energy: -0.000 local terms energy: -18.971104 where: bonds (distance) C4'-P energy: -3.036 bonds (distance) P-C4' energy: -3.784 flat angles C4'-P-C4' energy: -4.498 flat angles P-C4'-P energy: -2.164 tors. eta vs tors. theta energy: -5.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -26.293629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.293629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.293629 (E_RNA) where: Base-Base interactions energy: -8.314 where: short stacking energy: -8.314 Base-Backbone interact. energy: -0.039 local terms energy: -17.940129 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.290 flat angles P-C4'-P energy: -1.359 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: 3, replica: 4 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -25.957132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.957132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.957132 (E_RNA) where: Base-Base interactions energy: -4.801 where: short stacking energy: -4.801 Base-Backbone interact. energy: -0.000 local terms energy: -21.155437 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.222 flat angles P-C4'-P energy: -3.843 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: 4, replica: 1 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -27.387476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.387476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.387476 (E_RNA) where: Base-Base interactions energy: -9.553 where: short stacking energy: -9.553 Base-Backbone interact. energy: -0.000 local terms energy: -17.834686 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.610 flat angles P-C4'-P energy: -1.036 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: 5, replica: 6 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -23.627270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.627270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.627270 (E_RNA) where: Base-Base interactions energy: -7.245 where: short stacking energy: -7.245 Base-Backbone interact. energy: -0.000 local terms energy: -16.381676 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.575 flat angles C4'-P-C4' energy: -4.083 flat angles P-C4'-P energy: -2.865 tors. eta vs tors. theta energy: -0.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -24.213322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.213322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.213322 (E_RNA) where: Base-Base interactions energy: -5.785 where: short stacking energy: -5.785 Base-Backbone interact. energy: -0.000 local terms energy: -18.427794 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -4.572 flat angles C4'-P-C4' energy: -3.249 flat angles P-C4'-P energy: -3.890 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: 7, replica: 2 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -24.448758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.448758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.448758 (E_RNA) where: Base-Base interactions energy: -6.931 where: short stacking energy: -6.931 Base-Backbone interact. energy: -0.000 local terms energy: -17.518171 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -2.245 flat angles P-C4'-P energy: -3.936 tors. eta vs tors. theta energy: -2.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -22.996814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.996814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.996814 (E_RNA) where: Base-Base interactions energy: -7.307 where: short stacking energy: -7.307 Base-Backbone interact. energy: -0.000 local terms energy: -15.690306 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -2.955 flat angles P-C4'-P energy: -1.749 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: 9, replica: 5 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -22.727274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.727274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.727274 (E_RNA) where: Base-Base interactions energy: -6.729 where: short stacking energy: -6.729 Base-Backbone interact. energy: -0.000 local terms energy: -15.998585 where: bonds (distance) C4'-P energy: -3.070 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.505 flat angles P-C4'-P energy: -2.988 tors. eta vs tors. theta energy: -1.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -22.750272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.750272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.750272 (E_RNA) where: Base-Base interactions energy: -7.629 where: short stacking energy: -7.629 Base-Backbone interact. energy: -0.092 local terms energy: -15.030016 where: bonds (distance) C4'-P energy: -2.936 bonds (distance) P-C4' energy: -4.345 flat angles C4'-P-C4' energy: -3.928 flat angles P-C4'-P energy: -3.539 tors. eta vs tors. theta energy: -0.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -26.456820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.456820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.456820 (E_RNA) where: Base-Base interactions energy: -10.227 where: short stacking energy: -10.227 Base-Backbone interact. energy: -0.004 local terms energy: -16.226066 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.082 flat angles C4'-P-C4' energy: -3.916 flat angles P-C4'-P energy: -2.677 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: 2, replica: 4 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -27.982907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.982907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.982907 (E_RNA) where: Base-Base interactions energy: -10.526 where: short stacking energy: -10.526 Base-Backbone interact. energy: -0.001 local terms energy: -17.456006 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.367 flat angles P-C4'-P energy: -3.081 tors. eta vs tors. theta energy: -1.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -26.865088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.865088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.865088 (E_RNA) where: Base-Base interactions energy: -8.670 where: short stacking energy: -8.670 Base-Backbone interact. energy: -0.068 local terms energy: -18.127262 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.875 flat angles P-C4'-P energy: -2.913 tors. eta vs tors. theta energy: -1.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -25.070217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.070217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.070217 (E_RNA) where: Base-Base interactions energy: -7.120 where: short stacking energy: -7.120 Base-Backbone interact. energy: -0.000 local terms energy: -17.950007 where: bonds (distance) C4'-P energy: -2.325 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.201 flat angles P-C4'-P energy: -3.547 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: 5, replica: 1 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -22.780074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.780074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.780074 (E_RNA) where: Base-Base interactions energy: -5.002 where: short stacking energy: -5.245 Base-Backbone interact. energy: -2.473 local terms energy: -15.305279 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.283 flat angles P-C4'-P energy: -2.523 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: 6, replica: 2 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -27.550137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.550137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.550137 (E_RNA) where: Base-Base interactions energy: -9.512 where: short stacking energy: -9.512 Base-Backbone interact. energy: -0.000 local terms energy: -18.038292 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.216 flat angles P-C4'-P energy: -3.434 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: 7, replica: 8 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -23.410909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.410909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.410909 (E_RNA) where: Base-Base interactions energy: -5.224 where: short stacking energy: -5.224 Base-Backbone interact. energy: -0.051 local terms energy: -18.136321 where: bonds (distance) C4'-P energy: -3.861 bonds (distance) P-C4' energy: -4.867 flat angles C4'-P-C4' energy: -4.201 flat angles P-C4'-P energy: -2.469 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: 5 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -25.282826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.282826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.282826 (E_RNA) where: Base-Base interactions energy: -7.487 where: short stacking energy: -7.487 Base-Backbone interact. energy: -0.000 local terms energy: -17.795676 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -3.652 flat angles C4'-P-C4' energy: -4.448 flat angles P-C4'-P energy: -3.541 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: 9, replica: 10 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -20.883289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.883289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.883289 (E_RNA) where: Base-Base interactions energy: -4.269 where: short stacking energy: -4.269 Base-Backbone interact. energy: -0.001 local terms energy: -16.612808 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.675 flat angles P-C4'-P energy: -3.397 tors. eta vs tors. theta energy: -0.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -21.331973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.331973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.331973 (E_RNA) where: Base-Base interactions energy: -3.848 where: short stacking energy: -3.848 Base-Backbone interact. energy: -0.000 local terms energy: -17.484158 where: bonds (distance) C4'-P energy: -3.016 bonds (distance) P-C4' energy: -4.631 flat angles C4'-P-C4' energy: -4.854 flat angles P-C4'-P energy: -2.689 tors. eta vs tors. theta energy: -2.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -25.402517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.402517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.402517 (E_RNA) where: Base-Base interactions energy: -9.994 where: short stacking energy: -9.994 Base-Backbone interact. energy: -0.004 local terms energy: -15.404168 where: bonds (distance) C4'-P energy: -3.140 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.352 flat angles P-C4'-P energy: -1.694 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: 9 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -32.460259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.460259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.460259 (E_RNA) where: Base-Base interactions energy: -12.360 where: short stacking energy: -12.360 Base-Backbone interact. energy: -0.000 local terms energy: -20.099945 where: bonds (distance) C4'-P energy: -3.566 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.447 flat angles P-C4'-P energy: -2.681 tors. eta vs tors. theta energy: -4.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -24.427649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.427649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.427649 (E_RNA) where: Base-Base interactions energy: -7.312 where: short stacking energy: -7.312 Base-Backbone interact. energy: -0.000 local terms energy: -17.115333 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.420 flat angles C4'-P-C4' energy: -4.721 flat angles P-C4'-P energy: -1.407 tors. eta vs tors. theta energy: -2.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -24.238879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.238879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.238879 (E_RNA) where: Base-Base interactions energy: -7.827 where: short stacking energy: -7.827 Base-Backbone interact. energy: -0.013 local terms energy: -16.398746 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.786 flat angles P-C4'-P energy: -2.401 tors. eta vs tors. theta energy: 0.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -20.817379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.817379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.817379 (E_RNA) where: Base-Base interactions energy: -7.324 where: short stacking energy: -7.324 Base-Backbone interact. energy: -0.027 local terms energy: -13.466526 where: bonds (distance) C4'-P energy: -1.641 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.350 flat angles P-C4'-P energy: -2.822 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: 6, replica: 1 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -21.102539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.102539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.102539 (E_RNA) where: Base-Base interactions energy: -3.747 where: short stacking energy: -3.747 Base-Backbone interact. energy: -0.081 local terms energy: -17.275085 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.049 flat angles P-C4'-P energy: -3.101 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: 7, replica: 5 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -21.426211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.426211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.426211 (E_RNA) where: Base-Base interactions energy: -4.926 where: short stacking energy: -4.926 Base-Backbone interact. energy: -0.002 local terms energy: -16.498294 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.299 flat angles P-C4'-P energy: -3.264 tors. eta vs tors. theta energy: -1.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -20.739860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.739860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.739860 (E_RNA) where: Base-Base interactions energy: -4.822 where: short stacking energy: -4.822 Base-Backbone interact. energy: -0.011 local terms energy: -15.906526 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.152 flat angles C4'-P-C4' energy: -3.839 flat angles P-C4'-P energy: -3.185 tors. eta vs tors. theta energy: -0.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -22.206760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.206760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.206760 (E_RNA) where: Base-Base interactions energy: -4.886 where: short stacking energy: -4.886 Base-Backbone interact. energy: -0.000 local terms energy: -17.321010 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.755 flat angles P-C4'-P energy: -4.083 tors. eta vs tors. theta energy: -0.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -21.375707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.375707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.375707 (E_RNA) where: Base-Base interactions energy: -6.110 where: short stacking energy: -6.110 Base-Backbone interact. energy: -0.002 local terms energy: -15.263718 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -4.679 flat angles P-C4'-P energy: -1.198 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: 4 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -25.990496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.990496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.990496 (E_RNA) where: Base-Base interactions energy: -7.186 where: short stacking energy: -7.186 Base-Backbone interact. energy: -0.002 local terms energy: -18.803070 where: bonds (distance) C4'-P energy: -3.566 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.083 flat angles P-C4'-P energy: -3.354 tors. eta vs tors. theta energy: -2.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -27.143337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.143337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.143337 (E_RNA) where: Base-Base interactions energy: -8.774 where: short stacking energy: -8.774 Base-Backbone interact. energy: -0.001 local terms energy: -18.367937 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -4.281 flat angles P-C4'-P energy: -3.289 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: 3, replica: 9 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -24.130904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.130904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.130904 (E_RNA) where: Base-Base interactions energy: -6.410 where: short stacking energy: -6.410 Base-Backbone interact. energy: -0.003 local terms energy: -17.718248 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.909 flat angles P-C4'-P energy: -1.974 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: 7 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -26.957344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.957344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.957344 (E_RNA) where: Base-Base interactions energy: -7.139 where: short stacking energy: -7.139 Base-Backbone interact. energy: -0.000 local terms energy: -19.817964 where: bonds (distance) C4'-P energy: -4.171 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.063 flat angles P-C4'-P energy: -2.414 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: 5, replica: 2 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -23.697163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.697163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.697163 (E_RNA) where: Base-Base interactions energy: -6.076 where: short stacking energy: -6.076 Base-Backbone interact. energy: -0.000 local terms energy: -17.621181 where: bonds (distance) C4'-P energy: -2.680 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -3.752 flat angles P-C4'-P energy: -3.911 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: 6, replica: 5 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -24.728860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.728860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.728860 (E_RNA) where: Base-Base interactions energy: -7.131 where: short stacking energy: -7.131 Base-Backbone interact. energy: -0.000 local terms energy: -17.597196 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.096 flat angles C4'-P-C4' energy: -4.731 flat angles P-C4'-P energy: -3.178 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: 7, replica: 1 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -25.995340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.995340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.995340 (E_RNA) where: Base-Base interactions energy: -7.644 where: short stacking energy: -7.644 Base-Backbone interact. energy: -0.000 local terms energy: -18.351628 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -3.103 flat angles C4'-P-C4' energy: -3.889 flat angles P-C4'-P energy: -3.652 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: 8, replica: 3 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -19.614753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.614753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.614753 (E_RNA) where: Base-Base interactions energy: -5.446 where: short stacking energy: -5.446 Base-Backbone interact. energy: -0.002 local terms energy: -14.165816 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.313 flat angles P-C4'-P energy: -3.289 tors. eta vs tors. theta energy: 0.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -25.744939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.744939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.744939 (E_RNA) where: Base-Base interactions energy: -7.616 where: short stacking energy: -7.616 Base-Backbone interact. energy: -0.000 local terms energy: -18.129035 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.606 flat angles C4'-P-C4' energy: -4.441 flat angles P-C4'-P energy: -2.852 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: 10, replica: 10 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -19.820480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.820480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.820480 (E_RNA) where: Base-Base interactions energy: -6.867 where: short stacking energy: -6.867 Base-Backbone interact. energy: -0.000 local terms energy: -12.953254 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -2.057 flat angles C4'-P-C4' energy: -2.911 flat angles P-C4'-P energy: -3.447 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: 1, replica: 6 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -26.239667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.239667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.239667 (E_RNA) where: Base-Base interactions energy: -8.968 where: short stacking energy: -8.968 Base-Backbone interact. energy: -0.000 local terms energy: -17.271228 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.432 flat angles P-C4'-P energy: -2.811 tors. eta vs tors. theta energy: -1.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -27.121193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.121193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.121193 (E_RNA) where: Base-Base interactions energy: -11.499 where: short stacking energy: -11.499 Base-Backbone interact. energy: -0.002 local terms energy: -15.620286 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -4.817 flat angles P-C4'-P energy: 0.532 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: 7 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -24.357442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.357442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.357442 (E_RNA) where: Base-Base interactions energy: -7.842 where: short stacking energy: -7.842 Base-Backbone interact. energy: -0.000 local terms energy: -16.515092 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -3.591 flat angles P-C4'-P energy: -2.316 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: 4, replica: 9 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -24.494800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.494800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.494800 (E_RNA) where: Base-Base interactions energy: -4.284 where: short stacking energy: -4.284 Base-Backbone interact. energy: -0.036 local terms energy: -20.174891 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -4.543 flat angles P-C4'-P energy: -3.892 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: 5, replica: 5 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -24.102335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.102335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.102335 (E_RNA) where: Base-Base interactions energy: -6.914 where: short stacking energy: -6.914 Base-Backbone interact. energy: -0.000 local terms energy: -17.187994 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.491 flat angles P-C4'-P energy: -2.356 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: 2 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -24.810209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.810209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.810209 (E_RNA) where: Base-Base interactions energy: -7.169 where: short stacking energy: -7.169 Base-Backbone interact. energy: -0.000 local terms energy: -17.641068 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -1.791 flat angles P-C4'-P energy: -3.806 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: 7, replica: 3 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -20.628515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.628515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.628515 (E_RNA) where: Base-Base interactions energy: -3.594 where: short stacking energy: -3.594 Base-Backbone interact. energy: -0.001 local terms energy: -17.032861 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.083 flat angles P-C4'-P energy: -2.343 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: 8, replica: 1 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -23.177710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.177710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.177710 (E_RNA) where: Base-Base interactions energy: -7.822 where: short stacking energy: -7.822 Base-Backbone interact. energy: -0.180 local terms energy: -15.176273 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -2.442 flat angles P-C4'-P energy: -2.660 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: 9, replica: 10 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -22.011797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.011797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.011797 (E_RNA) where: Base-Base interactions energy: -5.189 where: short stacking energy: -5.189 Base-Backbone interact. energy: -0.000 local terms energy: -16.822021 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.437 flat angles P-C4'-P energy: -2.426 tors. eta vs tors. theta energy: -0.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -24.364078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.364078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.364078 (E_RNA) where: Base-Base interactions energy: -6.942 where: short stacking energy: -6.942 Base-Backbone interact. energy: -0.001 local terms energy: -17.421065 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -4.839 flat angles C4'-P-C4' energy: -4.123 flat angles P-C4'-P energy: -3.319 tors. eta vs tors. theta energy: -1.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -27.906181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.906181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.906181 (E_RNA) where: Base-Base interactions energy: -7.430 where: short stacking energy: -7.430 Base-Backbone interact. energy: -0.000 local terms energy: -20.476604 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.363 flat angles P-C4'-P energy: -3.189 tors. eta vs tors. theta energy: -4.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -27.767725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.767725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.767725 (E_RNA) where: Base-Base interactions energy: -11.100 where: short stacking energy: -11.100 Base-Backbone interact. energy: -0.000 local terms energy: -16.667888 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.605 flat angles P-C4'-P energy: -2.342 tors. eta vs tors. theta energy: -1.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -21.577434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.577434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.577434 (E_RNA) where: Base-Base interactions energy: -7.012 where: short stacking energy: -7.012 Base-Backbone interact. energy: -0.023 local terms energy: -14.542859 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.606 flat angles C4'-P-C4' energy: -2.863 flat angles P-C4'-P energy: -2.362 tors. eta vs tors. theta energy: -0.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -25.842624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.842624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.842624 (E_RNA) where: Base-Base interactions energy: -7.919 where: short stacking energy: -7.919 Base-Backbone interact. energy: -0.002 local terms energy: -17.922456 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -3.227 flat angles P-C4'-P energy: -2.208 tors. eta vs tors. theta energy: -3.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -20.703353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.703353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.703353 (E_RNA) where: Base-Base interactions energy: -3.848 where: short stacking energy: -3.848 Base-Backbone interact. energy: -0.101 local terms energy: -16.754352 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -3.926 flat angles P-C4'-P energy: -2.886 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: 6, replica: 3 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -26.116390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.116390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.116390 (E_RNA) where: Base-Base interactions energy: -5.957 where: short stacking energy: -5.957 Base-Backbone interact. energy: -0.000 local terms energy: -20.159726 where: bonds (distance) C4'-P energy: -4.270 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.516 flat angles P-C4'-P energy: -3.854 tors. eta vs tors. theta energy: -4.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -22.591485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.591485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.591485 (E_RNA) where: Base-Base interactions energy: -9.089 where: short stacking energy: -9.089 Base-Backbone interact. energy: -0.000 local terms energy: -13.501985 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -4.395 flat angles C4'-P-C4' energy: -3.604 flat angles P-C4'-P energy: -1.126 tors. eta vs tors. theta energy: -0.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -21.088069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.088069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.088069 (E_RNA) where: Base-Base interactions energy: -4.614 where: short stacking energy: -4.614 Base-Backbone interact. energy: -0.093 local terms energy: -16.380773 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -3.640 flat angles C4'-P-C4' energy: -3.738 flat angles P-C4'-P energy: -3.179 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: 9, replica: 10 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -21.834261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.834261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.834261 (E_RNA) where: Base-Base interactions energy: -4.419 where: short stacking energy: -4.419 Base-Backbone interact. energy: -0.180 local terms energy: -17.235590 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -2.956 flat angles P-C4'-P energy: -3.880 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: 10, replica: 8 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -22.184041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.184041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.184041 (E_RNA) where: Base-Base interactions energy: -5.978 where: short stacking energy: -5.978 Base-Backbone interact. energy: -0.000 local terms energy: -16.205800 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -3.544 flat angles C4'-P-C4' energy: -4.042 flat angles P-C4'-P energy: -3.948 tors. eta vs tors. theta energy: -0.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -31.467560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.467560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.467560 (E_RNA) where: Base-Base interactions energy: -11.339 where: short stacking energy: -11.339 Base-Backbone interact. energy: -0.000 local terms energy: -20.128742 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.993 flat angles P-C4'-P energy: -3.163 tors. eta vs tors. theta energy: -3.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -25.791593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.791593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.791593 (E_RNA) where: Base-Base interactions energy: -7.808 where: short stacking energy: -7.808 Base-Backbone interact. energy: -0.001 local terms energy: -17.982514 where: bonds (distance) C4'-P energy: -4.039 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.020 flat angles P-C4'-P energy: -1.873 tors. eta vs tors. theta energy: -3.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -24.695746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.695746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.695746 (E_RNA) where: Base-Base interactions energy: -6.915 where: short stacking energy: -6.915 Base-Backbone interact. energy: -0.073 local terms energy: -17.708426 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.185 flat angles P-C4'-P energy: -1.514 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: 4, replica: 7 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -24.329823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.329823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.329823 (E_RNA) where: Base-Base interactions energy: -7.970 where: short stacking energy: -7.970 Base-Backbone interact. energy: -0.016 local terms energy: -16.343052 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.959 flat angles P-C4'-P energy: -2.358 tors. eta vs tors. theta energy: -1.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -23.543821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.543821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.543821 (E_RNA) where: Base-Base interactions energy: -8.397 where: short stacking energy: -8.522 Base-Backbone interact. energy: -0.000 local terms energy: -15.146826 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.173 flat angles P-C4'-P energy: -2.157 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: 6, replica: 9 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -21.366882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.366882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.366882 (E_RNA) where: Base-Base interactions energy: -3.800 where: short stacking energy: -3.800 Base-Backbone interact. energy: -0.000 local terms energy: -17.566875 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.572 flat angles C4'-P-C4' energy: -3.592 flat angles P-C4'-P energy: -3.510 tors. eta vs tors. theta energy: -1.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -22.568371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.568371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.568371 (E_RNA) where: Base-Base interactions energy: -6.805 where: short stacking energy: -6.805 Base-Backbone interact. energy: -0.000 local terms energy: -15.763459 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.110 flat angles C4'-P-C4' energy: -2.769 flat angles P-C4'-P energy: -3.368 tors. eta vs tors. theta energy: -1.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -21.608398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.608398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.608398 (E_RNA) where: Base-Base interactions energy: -2.727 where: short stacking energy: -2.727 Base-Backbone interact. energy: -0.000 local terms energy: -18.881713 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.135 flat angles P-C4'-P energy: -3.561 tors. eta vs tors. theta energy: -1.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -22.012178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.012178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.012178 (E_RNA) where: Base-Base interactions energy: -7.013 where: short stacking energy: -7.013 Base-Backbone interact. energy: -0.000 local terms energy: -14.998657 where: bonds (distance) C4'-P energy: -2.299 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.873 flat angles P-C4'-P energy: -1.057 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: 10, replica: 10 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -23.726368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.726368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.726368 (E_RNA) where: Base-Base interactions energy: -8.781 where: short stacking energy: -8.781 Base-Backbone interact. energy: -0.100 local terms energy: -14.845647 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -3.703 flat angles P-C4'-P energy: -2.091 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: 1, replica: 6 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -23.897468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.897468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.897468 (E_RNA) where: Base-Base interactions energy: -8.781 where: short stacking energy: -8.781 Base-Backbone interact. energy: -0.141 local terms energy: -14.974934 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.438 flat angles P-C4'-P energy: -3.484 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: 2, replica: 5 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -28.557403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.557403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.557403 (E_RNA) where: Base-Base interactions energy: -10.682 where: short stacking energy: -10.682 Base-Backbone interact. energy: -0.000 local terms energy: -17.875373 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -3.811 flat angles C4'-P-C4' energy: -4.413 flat angles P-C4'-P energy: -3.350 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: 4 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -27.500519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.500519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.500519 (E_RNA) where: Base-Base interactions energy: -8.928 where: short stacking energy: -8.928 Base-Backbone interact. energy: -0.000 local terms energy: -18.572275 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.225 flat angles P-C4'-P energy: -0.243 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: 3 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -23.989887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.989887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.989887 (E_RNA) where: Base-Base interactions energy: -7.517 where: short stacking energy: -7.517 Base-Backbone interact. energy: -0.000 local terms energy: -16.473050 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.044 flat angles P-C4'-P energy: -2.265 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: 5, replica: 7 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -25.363439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.363439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.363439 (E_RNA) where: Base-Base interactions energy: -6.689 where: short stacking energy: -6.689 Base-Backbone interact. energy: -0.005 local terms energy: -18.669408 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -3.504 flat angles P-C4'-P energy: -3.433 tors. eta vs tors. theta energy: -2.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -22.937070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.937070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.937070 (E_RNA) where: Base-Base interactions energy: -4.935 where: short stacking energy: -4.935 Base-Backbone interact. energy: -0.000 local terms energy: -18.001950 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -3.434 flat angles P-C4'-P energy: -3.483 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: 7, replica: 9 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -21.646026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.646026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.646026 (E_RNA) where: Base-Base interactions energy: -6.864 where: short stacking energy: -6.864 Base-Backbone interact. energy: -0.036 local terms energy: -14.745538 where: bonds (distance) C4'-P energy: -3.654 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.901 flat angles P-C4'-P energy: -4.117 tors. eta vs tors. theta energy: 1.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -20.613535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.613535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.613535 (E_RNA) where: Base-Base interactions energy: -6.338 where: short stacking energy: -6.338 Base-Backbone interact. energy: -0.133 local terms energy: -14.142873 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.100 flat angles P-C4'-P energy: -2.476 tors. eta vs tors. theta energy: 0.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -22.484325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.484325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.484325 (E_RNA) where: Base-Base interactions energy: -4.865 where: short stacking energy: -4.865 Base-Backbone interact. energy: -0.000 local terms energy: -17.619531 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.702 flat angles P-C4'-P energy: -2.386 tors. eta vs tors. theta energy: -2.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -22.663448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.663448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.663448 (E_RNA) where: Base-Base interactions energy: -5.881 where: short stacking energy: -5.881 Base-Backbone interact. energy: -0.000 local terms energy: -16.782267 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.430 flat angles P-C4'-P energy: -2.355 tors. eta vs tors. theta energy: -1.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -29.402147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.402147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.402147 (E_RNA) where: Base-Base interactions energy: -7.196 where: short stacking energy: -7.196 Base-Backbone interact. energy: -0.000 local terms energy: -22.205836 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.266 flat angles P-C4'-P energy: -3.164 tors. eta vs tors. theta energy: -5.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -30.831874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.831874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.831874 (E_RNA) where: Base-Base interactions energy: -12.648 where: short stacking energy: -12.648 Base-Backbone interact. energy: -0.000 local terms energy: -18.183509 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -3.892 flat angles C4'-P-C4' energy: -4.820 flat angles P-C4'-P energy: -3.011 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: 3, replica: 3 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -25.330168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.330168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.330168 (E_RNA) where: Base-Base interactions energy: -6.799 where: short stacking energy: -6.799 Base-Backbone interact. energy: -0.000 local terms energy: -18.531585 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -3.072 flat angles P-C4'-P energy: -2.937 tors. eta vs tors. theta energy: -4.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -27.320628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.320628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.320628 (E_RNA) where: Base-Base interactions energy: -11.765 where: short stacking energy: -11.765 Base-Backbone interact. energy: -0.000 local terms energy: -15.555927 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -4.534 flat angles P-C4'-P energy: 0.215 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: 5, replica: 1 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -24.313046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.313046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.313046 (E_RNA) where: Base-Base interactions energy: -8.855 where: short stacking energy: -8.855 Base-Backbone interact. energy: -0.000 local terms energy: -15.458162 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -2.385 flat angles P-C4'-P energy: -1.741 tors. eta vs tors. theta energy: -2.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -24.650561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.650561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.650561 (E_RNA) where: Base-Base interactions energy: -7.355 where: short stacking energy: -7.355 Base-Backbone interact. energy: -0.055 local terms energy: -17.241168 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.705 flat angles P-C4'-P energy: -3.376 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: 7, replica: 8 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -19.944146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.944146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.944146 (E_RNA) where: Base-Base interactions energy: -4.595 where: short stacking energy: -4.595 Base-Backbone interact. energy: -0.088 local terms energy: -15.260924 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.257 flat angles P-C4'-P energy: -2.157 tors. eta vs tors. theta energy: -0.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -24.368062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.368062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.368062 (E_RNA) where: Base-Base interactions energy: -8.586 where: short stacking energy: -8.586 Base-Backbone interact. energy: -0.009 local terms energy: -15.772890 where: bonds (distance) C4'-P energy: -3.070 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -1.711 flat angles P-C4'-P energy: -3.043 tors. eta vs tors. theta energy: -2.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -22.944410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.944410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.944410 (E_RNA) where: Base-Base interactions energy: -7.632 where: short stacking energy: -7.632 Base-Backbone interact. energy: -0.000 local terms energy: -15.312453 where: bonds (distance) C4'-P energy: -2.598 bonds (distance) P-C4' energy: -3.631 flat angles C4'-P-C4' energy: -2.748 flat angles P-C4'-P energy: -3.560 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: 10, replica: 2 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -23.032349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.032349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.032349 (E_RNA) where: Base-Base interactions energy: -7.388 where: short stacking energy: -7.388 Base-Backbone interact. energy: -0.000 local terms energy: -15.644803 where: bonds (distance) C4'-P energy: -1.852 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.158 flat angles P-C4'-P energy: -2.972 tors. eta vs tors. theta energy: -2.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -25.684897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.684897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.684897 (E_RNA) where: Base-Base interactions energy: -8.327 where: short stacking energy: -8.327 Base-Backbone interact. energy: -0.039 local terms energy: -17.319091 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.034 flat angles P-C4'-P energy: -3.159 tors. eta vs tors. theta energy: -0.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -28.076554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.076554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.076554 (E_RNA) where: Base-Base interactions energy: -9.576 where: short stacking energy: -9.576 Base-Backbone interact. energy: -0.000 local terms energy: -18.500318 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -3.959 flat angles P-C4'-P energy: -4.061 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: 5 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -27.358888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.358888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.358888 (E_RNA) where: Base-Base interactions energy: -11.504 where: short stacking energy: -11.504 Base-Backbone interact. energy: -0.000 local terms energy: -15.854393 where: bonds (distance) C4'-P energy: -3.036 bonds (distance) P-C4' energy: -4.314 flat angles C4'-P-C4' energy: -2.540 flat angles P-C4'-P energy: -3.207 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: 99 Temperature: 1.050000 Total energy: -27.080989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.080989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.080989 (E_RNA) where: Base-Base interactions energy: -11.583 where: short stacking energy: -11.583 Base-Backbone interact. energy: -0.205 local terms energy: -15.292417 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.888 flat angles P-C4'-P energy: -2.354 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: 5, replica: 1 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -22.988638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.988638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.988638 (E_RNA) where: Base-Base interactions energy: -5.412 where: short stacking energy: -5.412 Base-Backbone interact. energy: -0.019 local terms energy: -17.557057 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.152 flat angles P-C4'-P energy: -2.527 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: 6, replica: 8 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -21.946862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.946862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.946862 (E_RNA) where: Base-Base interactions energy: -6.851 where: short stacking energy: -6.851 Base-Backbone interact. energy: -0.000 local terms energy: -15.095160 where: bonds (distance) C4'-P energy: -2.829 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.970 flat angles P-C4'-P energy: -1.444 tors. eta vs tors. theta energy: -1.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -24.933014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.933014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.933014 (E_RNA) where: Base-Base interactions energy: -7.773 where: short stacking energy: -7.773 Base-Backbone interact. energy: -0.000 local terms energy: -17.159608 where: bonds (distance) C4'-P energy: -2.379 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.907 flat angles P-C4'-P energy: -3.299 tors. eta vs tors. theta energy: -2.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -21.424152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.424152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.424152 (E_RNA) where: Base-Base interactions energy: -4.224 where: short stacking energy: -4.224 Base-Backbone interact. energy: -0.000 local terms energy: -17.199504 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -3.938 flat angles P-C4'-P energy: -2.146 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: 9 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -22.067212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.067212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.067212 (E_RNA) where: Base-Base interactions energy: -3.438 where: short stacking energy: -3.438 Base-Backbone interact. energy: -0.000 local terms energy: -18.628784 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.508 flat angles P-C4'-P energy: -3.120 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: 2 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -19.932261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.932261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.932261 (E_RNA) where: Base-Base interactions energy: -8.870 where: short stacking energy: -8.870 Base-Backbone interact. energy: -0.001 local terms energy: -11.061598 where: bonds (distance) C4'-P energy: 3.174 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.467 flat angles P-C4'-P energy: -0.294 tors. eta vs tors. theta energy: -4.807 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: 3 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -28.643472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.643472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.643472 (E_RNA) where: Base-Base interactions energy: -10.679 where: short stacking energy: -10.679 Base-Backbone interact. energy: -0.001 local terms energy: -17.963515 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -3.937 flat angles P-C4'-P energy: -3.216 tors. eta vs tors. theta energy: -1.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -25.737122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.737122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.737122 (E_RNA) where: Base-Base interactions energy: -10.626 where: short stacking energy: -10.626 Base-Backbone interact. energy: -0.002 local terms energy: -15.108541 where: bonds (distance) C4'-P energy: -4.341 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.010 flat angles P-C4'-P energy: -2.418 tors. eta vs tors. theta energy: -0.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -27.654538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.654538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.654538 (E_RNA) where: Base-Base interactions energy: -10.344 where: short stacking energy: -10.344 Base-Backbone interact. energy: -0.000 local terms energy: -17.310111 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.500 flat angles P-C4'-P energy: -2.406 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: 4, replica: 5 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -27.582779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.582779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.582779 (E_RNA) where: Base-Base interactions energy: -10.383 where: short stacking energy: -10.383 Base-Backbone interact. energy: -0.000 local terms energy: -17.199859 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -3.490 flat angles C4'-P-C4' energy: -4.349 flat angles P-C4'-P energy: -2.354 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: 5, replica: 8 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -25.291022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.291022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.291022 (E_RNA) where: Base-Base interactions energy: -7.975 where: short stacking energy: -7.975 Base-Backbone interact. energy: -0.001 local terms energy: -17.314151 where: bonds (distance) C4'-P energy: -1.696 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -3.815 flat angles P-C4'-P energy: -4.128 tors. eta vs tors. theta energy: -3.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -25.501393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.501393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.501393 (E_RNA) where: Base-Base interactions energy: -7.196 where: short stacking energy: -7.196 Base-Backbone interact. energy: -0.000 local terms energy: -18.305142 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.608 flat angles P-C4'-P energy: -1.274 tors. eta vs tors. theta energy: -3.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -20.657313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.657313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.657313 (E_RNA) where: Base-Base interactions energy: -5.677 where: short stacking energy: -3.961 Base-Backbone interact. energy: -0.099 local terms energy: -14.881748 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.447 flat angles P-C4'-P energy: -2.215 tors. eta vs tors. theta energy: 0.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -20.799120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.799120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.799120 (E_RNA) where: Base-Base interactions energy: -3.858 where: short stacking energy: -3.858 Base-Backbone interact. energy: -0.000 local terms energy: -16.941098 where: bonds (distance) C4'-P energy: -3.637 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.440 flat angles P-C4'-P energy: -2.267 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: 9, replica: 2 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -17.764822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.764822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.764822 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.000 local terms energy: -17.764734 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.639 flat angles P-C4'-P energy: -3.740 tors. eta vs tors. theta energy: -1.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -19.448597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.448597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.448597 (E_RNA) where: Base-Base interactions energy: -4.128 where: short stacking energy: -4.128 Base-Backbone interact. energy: -0.002 local terms energy: -15.318595 where: bonds (distance) C4'-P energy: -3.567 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -3.620 flat angles P-C4'-P energy: -1.561 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: 3 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -29.407489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.407489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.407489 (E_RNA) where: Base-Base interactions energy: -12.451 where: short stacking energy: -12.451 Base-Backbone interact. energy: -0.095 local terms energy: -16.861682 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -2.637 flat angles C4'-P-C4' energy: -3.922 flat angles P-C4'-P energy: -3.891 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: 4 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -23.833679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.833679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.833679 (E_RNA) where: Base-Base interactions energy: -8.083 where: short stacking energy: -8.083 Base-Backbone interact. energy: -0.358 local terms energy: -15.392368 where: bonds (distance) C4'-P energy: -4.009 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.110 flat angles P-C4'-P energy: -2.584 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: 3, replica: 6 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -28.515613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.515613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.515613 (E_RNA) where: Base-Base interactions energy: -12.393 where: short stacking energy: -12.393 Base-Backbone interact. energy: -0.000 local terms energy: -16.122543 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -3.981 flat angles C4'-P-C4' energy: -3.482 flat angles P-C4'-P energy: -2.174 tors. eta vs tors. theta energy: -2.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -24.229765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.229765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.229765 (E_RNA) where: Base-Base interactions energy: -6.525 where: short stacking energy: -6.525 Base-Backbone interact. energy: -0.000 local terms energy: -17.704591 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.549 flat angles P-C4'-P energy: -3.595 tors. eta vs tors. theta energy: -1.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -24.801868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.801868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.801868 (E_RNA) where: Base-Base interactions energy: -7.740 where: short stacking energy: -7.740 Base-Backbone interact. energy: -0.000 local terms energy: -17.061411 where: bonds (distance) C4'-P energy: -3.479 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.360 flat angles P-C4'-P energy: -1.948 tors. eta vs tors. theta energy: -2.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -24.638332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.638332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.638332 (E_RNA) where: Base-Base interactions energy: -7.763 where: short stacking energy: -7.763 Base-Backbone interact. energy: -0.004 local terms energy: -16.871365 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -3.515 flat angles C4'-P-C4' energy: -3.690 flat angles P-C4'-P energy: -2.809 tors. eta vs tors. theta energy: -3.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -23.046973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.046973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.046973 (E_RNA) where: Base-Base interactions energy: -5.136 where: short stacking energy: -5.282 Base-Backbone interact. energy: 0.247 local terms energy: -18.158505 where: bonds (distance) C4'-P energy: -2.602 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.886 flat angles P-C4'-P energy: -3.854 tors. eta vs tors. theta energy: -2.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -19.912973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.912973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.912973 (E_RNA) where: Base-Base interactions energy: -2.089 where: short stacking energy: -2.089 Base-Backbone interact. energy: -0.057 local terms energy: -17.766838 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -3.578 flat angles C4'-P-C4' energy: -4.712 flat angles P-C4'-P energy: -2.879 tors. eta vs tors. theta energy: -2.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -21.310441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.310441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.310441 (E_RNA) where: Base-Base interactions energy: -4.149 where: short stacking energy: -4.149 Base-Backbone interact. energy: -0.000 local terms energy: -17.161214 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.363 flat angles P-C4'-P energy: -2.036 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: 9 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -22.295548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.295548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.295548 (E_RNA) where: Base-Base interactions energy: -4.838 where: short stacking energy: -4.838 Base-Backbone interact. energy: -0.009 local terms energy: -17.447912 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.025 flat angles P-C4'-P energy: -2.940 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: 1, replica: 4 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -29.505998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.505998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.505998 (E_RNA) where: Base-Base interactions energy: -11.626 where: short stacking energy: -11.626 Base-Backbone interact. energy: -0.000 local terms energy: -17.880289 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.595 flat angles P-C4'-P energy: -2.560 tors. eta vs tors. theta energy: -2.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -28.233601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.233601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.233601 (E_RNA) where: Base-Base interactions energy: -8.094 where: short stacking energy: -8.094 Base-Backbone interact. energy: -0.000 local terms energy: -20.139280 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.520 flat angles P-C4'-P energy: -3.319 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: 3, replica: 8 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -24.217861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.217861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.217861 (E_RNA) where: Base-Base interactions energy: -8.559 where: short stacking energy: -8.559 Base-Backbone interact. energy: -0.008 local terms energy: -15.650974 where: bonds (distance) C4'-P energy: -2.182 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.681 flat angles P-C4'-P energy: -1.678 tors. eta vs tors. theta energy: -2.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -24.932870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.932870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.932870 (E_RNA) where: Base-Base interactions energy: -7.528 where: short stacking energy: -7.528 Base-Backbone interact. energy: -0.000 local terms energy: -17.405287 where: bonds (distance) C4'-P energy: -2.387 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -4.045 flat angles P-C4'-P energy: -3.671 tors. eta vs tors. theta energy: -1.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -23.225060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.225060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.225060 (E_RNA) where: Base-Base interactions energy: -7.047 where: short stacking energy: -7.047 Base-Backbone interact. energy: -0.000 local terms energy: -16.178096 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -2.671 flat angles P-C4'-P energy: -3.869 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: 6, replica: 5 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -21.709468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.709468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.709468 (E_RNA) where: Base-Base interactions energy: -4.718 where: short stacking energy: -4.718 Base-Backbone interact. energy: -0.000 local terms energy: -16.991421 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.746 flat angles P-C4'-P energy: -3.835 tors. eta vs tors. theta energy: 1.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -22.832846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.832846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.832846 (E_RNA) where: Base-Base interactions energy: -8.696 where: short stacking energy: -8.696 Base-Backbone interact. energy: -0.000 local terms energy: -14.136410 where: bonds (distance) C4'-P energy: -3.637 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -3.100 flat angles P-C4'-P energy: -1.822 tors. eta vs tors. theta energy: -1.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -23.686000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.686000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.686000 (E_RNA) where: Base-Base interactions energy: -7.207 where: short stacking energy: -7.207 Base-Backbone interact. energy: -0.805 local terms energy: -15.674437 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -3.793 flat angles C4'-P-C4' energy: -3.533 flat angles P-C4'-P energy: -2.162 tors. eta vs tors. theta energy: -2.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -19.176832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.176832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.176832 (E_RNA) where: Base-Base interactions energy: -3.557 where: short stacking energy: -3.557 Base-Backbone interact. energy: -0.850 local terms energy: -14.769589 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.397 flat angles P-C4'-P energy: -1.821 tors. eta vs tors. theta energy: -0.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -21.988574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.988574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.988574 (E_RNA) where: Base-Base interactions energy: -3.942 where: short stacking energy: -3.942 Base-Backbone interact. energy: -0.000 local terms energy: -18.046441 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.392 flat angles C4'-P-C4' energy: -4.629 flat angles P-C4'-P energy: -2.634 tors. eta vs tors. theta energy: -2.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -32.470066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.470066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.470066 (E_RNA) where: Base-Base interactions energy: -10.786 where: short stacking energy: -10.786 Base-Backbone interact. energy: -0.000 local terms energy: -21.683898 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.394 flat angles P-C4'-P energy: -3.313 tors. eta vs tors. theta energy: -4.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -26.122513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.122513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.122513 (E_RNA) where: Base-Base interactions energy: -9.434 where: short stacking energy: -9.434 Base-Backbone interact. energy: -0.000 local terms energy: -16.688219 where: bonds (distance) C4'-P energy: -3.091 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.211 flat angles P-C4'-P energy: -1.761 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: 3 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -24.745728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.745728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.745728 (E_RNA) where: Base-Base interactions energy: -5.851 where: short stacking energy: -5.851 Base-Backbone interact. energy: -0.000 local terms energy: -18.895007 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.084 flat angles P-C4'-P energy: -2.316 tors. eta vs tors. theta energy: -2.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -28.854740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.854740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.854740 (E_RNA) where: Base-Base interactions energy: -10.129 where: short stacking energy: -10.129 Base-Backbone interact. energy: -0.000 local terms energy: -18.725515 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.786 flat angles P-C4'-P energy: -3.387 tors. eta vs tors. theta energy: -2.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -27.781892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.781892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.781892 (E_RNA) where: Base-Base interactions energy: -10.021 where: short stacking energy: -10.021 Base-Backbone interact. energy: -0.027 local terms energy: -17.733928 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.751 flat angles P-C4'-P energy: -2.621 tors. eta vs tors. theta energy: -2.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -20.498816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.498816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.498816 (E_RNA) where: Base-Base interactions energy: -3.167 where: short stacking energy: -3.167 Base-Backbone interact. energy: -0.000 local terms energy: -17.331659 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -4.395 flat angles P-C4'-P energy: -4.003 tors. eta vs tors. theta energy: -1.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -22.707674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.707674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.707674 (E_RNA) where: Base-Base interactions energy: -7.498 where: short stacking energy: -7.498 Base-Backbone interact. energy: -0.000 local terms energy: -15.208844 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -3.781 flat angles C4'-P-C4' energy: -4.731 flat angles P-C4'-P energy: -3.101 tors. eta vs tors. theta energy: 0.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -22.261493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.261493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.261493 (E_RNA) where: Base-Base interactions energy: -8.660 where: short stacking energy: -8.660 Base-Backbone interact. energy: -0.216 local terms energy: -13.385282 where: bonds (distance) C4'-P energy: -3.861 bonds (distance) P-C4' energy: -3.818 flat angles C4'-P-C4' energy: -1.926 flat angles P-C4'-P energy: -1.911 tors. eta vs tors. theta energy: -1.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -20.306003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.306003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.306003 (E_RNA) where: Base-Base interactions energy: -5.126 where: short stacking energy: -5.126 Base-Backbone interact. energy: -0.008 local terms energy: -15.172786 where: bonds (distance) C4'-P energy: -3.414 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -0.842 flat angles P-C4'-P energy: -3.491 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: 7 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -29.029280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.029280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.029280 (E_RNA) where: Base-Base interactions energy: -9.602 where: short stacking energy: -9.602 Base-Backbone interact. energy: -0.000 local terms energy: -19.427695 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.028 flat angles P-C4'-P energy: -2.704 tors. eta vs tors. theta energy: -3.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -30.373225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.373225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.373225 (E_RNA) where: Base-Base interactions energy: -10.323 where: short stacking energy: -10.323 Base-Backbone interact. energy: -0.001 local terms energy: -20.049426 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.839 flat angles P-C4'-P energy: -3.387 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: 2, replica: 4 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -25.781192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.781192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.781192 (E_RNA) where: Base-Base interactions energy: -8.081 where: short stacking energy: -8.081 Base-Backbone interact. energy: -0.000 local terms energy: -17.700534 where: bonds (distance) C4'-P energy: -3.939 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.102 flat angles P-C4'-P energy: -3.455 tors. eta vs tors. theta energy: -0.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -26.721602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.721602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.721602 (E_RNA) where: Base-Base interactions energy: -9.587 where: short stacking energy: -9.587 Base-Backbone interact. energy: -0.000 local terms energy: -17.134400 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -3.285 flat angles P-C4'-P energy: -2.557 tors. eta vs tors. theta energy: -2.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -23.855310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.855310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.855310 (E_RNA) where: Base-Base interactions energy: -3.730 where: short stacking energy: -3.730 Base-Backbone interact. energy: -0.000 local terms energy: -20.125347 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.633 flat angles P-C4'-P energy: -2.490 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: 2 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -21.329553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.329553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.329553 (E_RNA) where: Base-Base interactions energy: -4.278 where: short stacking energy: -4.278 Base-Backbone interact. energy: -0.363 local terms energy: -16.688848 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.712 flat angles P-C4'-P energy: -2.801 tors. eta vs tors. theta energy: -0.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -25.086230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.086230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.086230 (E_RNA) where: Base-Base interactions energy: -10.212 where: short stacking energy: -10.212 Base-Backbone interact. energy: -0.000 local terms energy: -14.874506 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -3.165 flat angles C4'-P-C4' energy: -1.974 flat angles P-C4'-P energy: -2.026 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: 7, replica: 9 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -22.454417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.454417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.454417 (E_RNA) where: Base-Base interactions energy: -4.274 where: short stacking energy: -4.274 Base-Backbone interact. energy: -0.043 local terms energy: -18.138107 where: bonds (distance) C4'-P energy: -3.277 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.309 flat angles P-C4'-P energy: -3.423 tors. eta vs tors. theta energy: -2.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -22.716391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.716391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.716391 (E_RNA) where: Base-Base interactions energy: -4.098 where: short stacking energy: -4.098 Base-Backbone interact. energy: -0.509 local terms energy: -18.109905 where: bonds (distance) C4'-P energy: -2.813 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.798 flat angles P-C4'-P energy: -2.562 tors. eta vs tors. theta energy: -3.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -24.926846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.926846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.926846 (E_RNA) where: Base-Base interactions energy: -6.173 where: short stacking energy: -6.173 Base-Backbone interact. energy: -0.000 local terms energy: -18.753753 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.697 flat angles P-C4'-P energy: -3.375 tors. eta vs tors. theta energy: -1.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -21.469731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.469731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.469731 (E_RNA) where: Base-Base interactions energy: -8.602 where: short stacking energy: -8.602 Base-Backbone interact. energy: -0.001 local terms energy: -12.866569 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -1.215 flat angles P-C4'-P energy: -1.972 tors. eta vs tors. theta energy: -0.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -26.051766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.051766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.051766 (E_RNA) where: Base-Base interactions energy: -7.755 where: short stacking energy: -7.755 Base-Backbone interact. energy: -0.000 local terms energy: -18.296910 where: bonds (distance) C4'-P energy: -3.198 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -4.633 flat angles P-C4'-P energy: -3.637 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: 2, replica: 1 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -24.164978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.164978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.164978 (E_RNA) where: Base-Base interactions energy: -8.601 where: short stacking energy: -8.601 Base-Backbone interact. energy: -0.000 local terms energy: -15.563977 where: bonds (distance) C4'-P energy: -3.036 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.011 flat angles P-C4'-P energy: -2.952 tors. eta vs tors. theta energy: -0.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -29.597529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.597529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.597529 (E_RNA) where: Base-Base interactions energy: -9.254 where: short stacking energy: -9.254 Base-Backbone interact. energy: -0.000 local terms energy: -20.343511 where: bonds (distance) C4'-P energy: -3.939 bonds (distance) P-C4' energy: -3.585 flat angles C4'-P-C4' energy: -4.525 flat angles P-C4'-P energy: -3.140 tors. eta vs tors. theta energy: -5.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -29.604389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.604389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.604389 (E_RNA) where: Base-Base interactions energy: -10.135 where: short stacking energy: -10.135 Base-Backbone interact. energy: -0.001 local terms energy: -19.469003 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.996 flat angles P-C4'-P energy: -3.624 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: 5, replica: 3 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -23.833706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.833706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.833706 (E_RNA) where: Base-Base interactions energy: -6.752 where: short stacking energy: -6.752 Base-Backbone interact. energy: -0.007 local terms energy: -17.075242 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -3.103 flat angles C4'-P-C4' energy: -4.455 flat angles P-C4'-P energy: -3.509 tors. eta vs tors. theta energy: -1.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -26.421998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.421998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.421998 (E_RNA) where: Base-Base interactions energy: -11.587 where: short stacking energy: -11.587 Base-Backbone interact. energy: -0.000 local terms energy: -14.834847 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -2.799 flat angles C4'-P-C4' energy: -3.038 flat angles P-C4'-P energy: -1.360 tors. eta vs tors. theta energy: -3.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -21.694906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.694906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.694906 (E_RNA) where: Base-Base interactions energy: -4.900 where: short stacking energy: -4.900 Base-Backbone interact. energy: -0.144 local terms energy: -16.650256 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -3.815 flat angles C4'-P-C4' energy: -4.453 flat angles P-C4'-P energy: -3.072 tors. eta vs tors. theta energy: -1.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -23.750066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.750066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.750066 (E_RNA) where: Base-Base interactions energy: -6.824 where: short stacking energy: -6.824 Base-Backbone interact. energy: -0.000 local terms energy: -16.925872 where: bonds (distance) C4'-P energy: -3.050 bonds (distance) P-C4' energy: -4.134 flat angles C4'-P-C4' energy: -3.245 flat angles P-C4'-P energy: -2.253 tors. eta vs tors. theta energy: -4.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -23.880160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.880160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.880160 (E_RNA) where: Base-Base interactions energy: -7.387 where: short stacking energy: -7.387 Base-Backbone interact. energy: -0.000 local terms energy: -16.493244 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.199 flat angles P-C4'-P energy: -1.712 tors. eta vs tors. theta energy: -1.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -21.540113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.540113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.540113 (E_RNA) where: Base-Base interactions energy: -3.367 where: short stacking energy: -3.367 Base-Backbone interact. energy: -0.040 local terms energy: -18.132853 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.205 flat angles C4'-P-C4' energy: -4.495 flat angles P-C4'-P energy: -3.345 tors. eta vs tors. theta energy: -1.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -31.819969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.819969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.819969 (E_RNA) where: Base-Base interactions energy: -11.159 where: short stacking energy: -11.159 Base-Backbone interact. energy: -0.000 local terms energy: -20.660818 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -4.209 flat angles C4'-P-C4' energy: -4.235 flat angles P-C4'-P energy: -3.597 tors. eta vs tors. theta energy: -4.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -26.643962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.643962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.643962 (E_RNA) where: Base-Base interactions energy: -7.780 where: short stacking energy: -7.780 Base-Backbone interact. energy: -0.000 local terms energy: -18.863765 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -3.999 flat angles P-C4'-P energy: -3.051 tors. eta vs tors. theta energy: -2.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -27.098529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.098529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.098529 (E_RNA) where: Base-Base interactions energy: -9.031 where: short stacking energy: -9.031 Base-Backbone interact. energy: -0.004 local terms energy: -18.063559 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.472 flat angles P-C4'-P energy: -2.049 tors. eta vs tors. theta energy: -2.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -27.471282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.471282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.471282 (E_RNA) where: Base-Base interactions energy: -9.529 where: short stacking energy: -9.529 Base-Backbone interact. energy: -0.000 local terms energy: -17.941975 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -2.186 flat angles C4'-P-C4' energy: -4.246 flat angles P-C4'-P energy: -2.901 tors. eta vs tors. theta energy: -4.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -24.841507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.841507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.841507 (E_RNA) where: Base-Base interactions energy: -11.308 where: short stacking energy: -11.308 Base-Backbone interact. energy: -0.004 local terms energy: -13.529672 where: bonds (distance) C4'-P energy: -3.384 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -1.838 flat angles P-C4'-P energy: -1.719 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: 6, replica: 3 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -25.526304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.526304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.526304 (E_RNA) where: Base-Base interactions energy: -7.102 where: short stacking energy: -7.102 Base-Backbone interact. energy: -0.000 local terms energy: -18.424354 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.596 flat angles P-C4'-P energy: -4.050 tors. eta vs tors. theta energy: -1.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -25.952490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.952490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.952490 (E_RNA) where: Base-Base interactions energy: -7.600 where: short stacking energy: -7.600 Base-Backbone interact. energy: -0.004 local terms energy: -18.348734 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.815 flat angles P-C4'-P energy: -3.405 tors. eta vs tors. theta energy: -1.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -20.168767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.168767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.168767 (E_RNA) where: Base-Base interactions energy: -3.541 where: short stacking energy: -3.541 Base-Backbone interact. energy: -0.061 local terms energy: -16.567209 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.456 flat angles P-C4'-P energy: -3.950 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: 10 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -21.810029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.810029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.810029 (E_RNA) where: Base-Base interactions energy: -5.766 where: short stacking energy: -5.766 Base-Backbone interact. energy: -0.000 local terms energy: -16.043763 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -3.815 flat angles C4'-P-C4' energy: -2.729 flat angles P-C4'-P energy: -3.189 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: 10, replica: 5 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -19.670057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.670057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.670057 (E_RNA) where: Base-Base interactions energy: -6.836 where: short stacking energy: -6.836 Base-Backbone interact. energy: -0.019 local terms energy: -12.814996 where: bonds (distance) C4'-P energy: -2.510 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.813 flat angles P-C4'-P energy: -0.977 tors. eta vs tors. theta energy: -0.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -26.915436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.915436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.915436 (E_RNA) where: Base-Base interactions energy: -7.673 where: short stacking energy: -7.673 Base-Backbone interact. energy: -0.006 local terms energy: -19.236040 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.441 flat angles C4'-P-C4' energy: -3.866 flat angles P-C4'-P energy: -3.199 tors. eta vs tors. theta energy: -3.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -24.034854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.034854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.034854 (E_RNA) where: Base-Base interactions energy: -7.348 where: short stacking energy: -7.348 Base-Backbone interact. energy: -0.003 local terms energy: -16.683170 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.392 flat angles P-C4'-P energy: -3.071 tors. eta vs tors. theta energy: -1.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -27.026586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.026586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.026586 (E_RNA) where: Base-Base interactions energy: -10.649 where: short stacking energy: -10.649 Base-Backbone interact. energy: -0.000 local terms energy: -16.377698 where: bonds (distance) C4'-P energy: -2.539 bonds (distance) P-C4' energy: -4.321 flat angles C4'-P-C4' energy: -3.923 flat angles P-C4'-P energy: -2.055 tors. eta vs tors. theta energy: -3.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -25.194649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.194649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.194649 (E_RNA) where: Base-Base interactions energy: -8.501 where: short stacking energy: -8.501 Base-Backbone interact. energy: -0.001 local terms energy: -16.693422 where: bonds (distance) C4'-P energy: -3.406 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.542 flat angles P-C4'-P energy: -3.338 tors. eta vs tors. theta energy: -1.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -22.484154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.484154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.484154 (E_RNA) where: Base-Base interactions energy: -7.496 where: short stacking energy: -7.496 Base-Backbone interact. energy: -0.802 local terms energy: -14.186587 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -3.944 flat angles P-C4'-P energy: -2.953 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: 7 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -24.041512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.041512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.041512 (E_RNA) where: Base-Base interactions energy: -7.711 where: short stacking energy: -7.711 Base-Backbone interact. energy: -0.099 local terms energy: -16.231678 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -3.815 flat angles C4'-P-C4' energy: -4.520 flat angles P-C4'-P energy: -2.002 tors. eta vs tors. theta energy: -2.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -21.789744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.789744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.789744 (E_RNA) where: Base-Base interactions energy: -8.495 where: short stacking energy: -8.495 Base-Backbone interact. energy: -0.000 local terms energy: -13.294513 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.237 flat angles P-C4'-P energy: -1.556 tors. eta vs tors. theta energy: 0.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -22.915694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.915694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.915694 (E_RNA) where: Base-Base interactions energy: -6.810 where: short stacking energy: -6.810 Base-Backbone interact. energy: -0.000 local terms energy: -16.105115 where: bonds (distance) C4'-P energy: -2.457 bonds (distance) P-C4' energy: -2.386 flat angles C4'-P-C4' energy: -4.422 flat angles P-C4'-P energy: -3.920 tors. eta vs tors. theta energy: -2.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -21.731823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.731823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.731823 (E_RNA) where: Base-Base interactions energy: -2.988 where: short stacking energy: -2.988 Base-Backbone interact. energy: -0.001 local terms energy: -18.742958 where: bonds (distance) C4'-P energy: -3.433 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.088 flat angles P-C4'-P energy: -3.078 tors. eta vs tors. theta energy: -3.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -21.016600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.016600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.016600 (E_RNA) where: Base-Base interactions energy: -4.356 where: short stacking energy: -4.356 Base-Backbone interact. energy: -0.000 local terms energy: -16.660399 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -3.364 flat angles C4'-P-C4' energy: -4.271 flat angles P-C4'-P energy: -2.230 tors. eta vs tors. theta energy: -2.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -29.709245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.709245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.709245 (E_RNA) where: Base-Base interactions energy: -7.887 where: short stacking energy: -7.887 Base-Backbone interact. energy: -0.000 local terms energy: -21.822407 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.294 flat angles P-C4'-P energy: -3.426 tors. eta vs tors. theta energy: -4.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -29.650138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.650138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.650138 (E_RNA) where: Base-Base interactions energy: -9.971 where: short stacking energy: -9.971 Base-Backbone interact. energy: -0.000 local terms energy: -19.678752 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.080 flat angles P-C4'-P energy: -3.375 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: 3, replica: 9 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -27.189780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.189780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.189780 (E_RNA) where: Base-Base interactions energy: -9.612 where: short stacking energy: -9.612 Base-Backbone interact. energy: -0.010 local terms energy: -17.568173 where: bonds (distance) C4'-P energy: -3.268 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.220 flat angles P-C4'-P energy: -3.558 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: 8 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -22.206146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.206146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.206146 (E_RNA) where: Base-Base interactions energy: -5.558 where: short stacking energy: -5.558 Base-Backbone interact. energy: -0.001 local terms energy: -16.647612 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.682 flat angles P-C4'-P energy: -2.142 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: 5, replica: 7 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -25.566873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.566873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.566873 (E_RNA) where: Base-Base interactions energy: -8.697 where: short stacking energy: -8.697 Base-Backbone interact. energy: -0.019 local terms energy: -16.850606 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.068 flat angles P-C4'-P energy: -2.663 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: 6, replica: 4 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -21.600002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.600002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.600002 (E_RNA) where: Base-Base interactions energy: -3.738 where: short stacking energy: -3.738 Base-Backbone interact. energy: -0.000 local terms energy: -17.862181 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -3.975 flat angles P-C4'-P energy: -3.281 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: 7, replica: 10 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -21.516761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.516761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.516761 (E_RNA) where: Base-Base interactions energy: -5.690 where: short stacking energy: -5.690 Base-Backbone interact. energy: -0.097 local terms energy: -15.729775 where: bonds (distance) C4'-P energy: -2.714 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -4.290 flat angles P-C4'-P energy: -3.548 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: 8, replica: 3 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -26.574449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.574449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.574449 (E_RNA) where: Base-Base interactions energy: -9.376 where: short stacking energy: -10.078 Base-Backbone interact. energy: -0.633 local terms energy: -16.564973 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.166 flat angles P-C4'-P energy: -3.404 tors. eta vs tors. theta energy: -0.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -21.190355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.190355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.190355 (E_RNA) where: Base-Base interactions energy: -4.614 where: short stacking energy: -4.614 Base-Backbone interact. energy: -0.000 local terms energy: -16.576327 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -4.176 flat angles P-C4'-P energy: -3.510 tors. eta vs tors. theta energy: -0.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -23.196754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.196754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.196754 (E_RNA) where: Base-Base interactions energy: -9.340 where: short stacking energy: -9.340 Base-Backbone interact. energy: -0.011 local terms energy: -13.845813 where: bonds (distance) C4'-P energy: -2.415 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -1.171 flat angles P-C4'-P energy: -2.920 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: 1, replica: 2 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -28.189222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.189222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.189222 (E_RNA) where: Base-Base interactions energy: -7.120 where: short stacking energy: -7.120 Base-Backbone interact. energy: -0.000 local terms energy: -21.068785 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.402 flat angles P-C4'-P energy: -3.312 tors. eta vs tors. theta energy: -3.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -27.211242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.211242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.211242 (E_RNA) where: Base-Base interactions energy: -10.536 where: short stacking energy: -10.536 Base-Backbone interact. energy: -0.005 local terms energy: -16.670447 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -4.398 flat angles C4'-P-C4' energy: -1.998 flat angles P-C4'-P energy: -3.452 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: 3, replica: 1 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -23.287543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.287543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.287543 (E_RNA) where: Base-Base interactions energy: -6.353 where: short stacking energy: -6.353 Base-Backbone interact. energy: -0.000 local terms energy: -16.934070 where: bonds (distance) C4'-P energy: -3.032 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.574 flat angles P-C4'-P energy: -4.049 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: 4, replica: 7 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -21.193438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.193438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.193438 (E_RNA) where: Base-Base interactions energy: -8.552 where: short stacking energy: -8.552 Base-Backbone interact. energy: -0.011 local terms energy: -12.630842 where: bonds (distance) C4'-P energy: -1.211 bonds (distance) P-C4' energy: -3.582 flat angles C4'-P-C4' energy: -3.639 flat angles P-C4'-P energy: -2.484 tors. eta vs tors. theta energy: -1.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -22.682293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.682293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.682293 (E_RNA) where: Base-Base interactions energy: -6.437 where: short stacking energy: -6.437 Base-Backbone interact. energy: -0.053 local terms energy: -16.192422 where: bonds (distance) C4'-P energy: -3.277 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.311 flat angles P-C4'-P energy: -3.037 tors. eta vs tors. theta energy: -0.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -22.591622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.591622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.591622 (E_RNA) where: Base-Base interactions energy: -7.707 where: short stacking energy: -7.707 Base-Backbone interact. energy: -0.023 local terms energy: -14.861389 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -2.911 flat angles P-C4'-P energy: -1.624 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: 7, replica: 4 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -22.191482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.191482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.191482 (E_RNA) where: Base-Base interactions energy: -3.072 where: short stacking energy: -3.072 Base-Backbone interact. energy: -0.000 local terms energy: -19.119188 where: bonds (distance) C4'-P energy: -4.125 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.681 flat angles P-C4'-P energy: -3.608 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: 8, replica: 5 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -21.682863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.682863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.682863 (E_RNA) where: Base-Base interactions energy: -3.934 where: short stacking energy: -3.934 Base-Backbone interact. energy: -0.000 local terms energy: -17.748486 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -2.821 flat angles P-C4'-P energy: -3.368 tors. eta vs tors. theta energy: -2.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -21.172123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.172123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.172123 (E_RNA) where: Base-Base interactions energy: -6.430 where: short stacking energy: -6.430 Base-Backbone interact. energy: -0.000 local terms energy: -14.742370 where: bonds (distance) C4'-P energy: -3.425 bonds (distance) P-C4' energy: -3.781 flat angles C4'-P-C4' energy: -3.231 flat angles P-C4'-P energy: -3.881 tors. eta vs tors. theta energy: -0.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -20.777516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.777516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.777516 (E_RNA) where: Base-Base interactions energy: -4.471 where: short stacking energy: -4.471 Base-Backbone interact. energy: -0.000 local terms energy: -16.306194 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -3.191 flat angles P-C4'-P energy: -2.697 tors. eta vs tors. theta energy: -1.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -29.832986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.832986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.832986 (E_RNA) where: Base-Base interactions energy: -12.137 where: short stacking energy: -12.137 Base-Backbone interact. energy: -0.000 local terms energy: -17.696075 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -2.744 flat angles C4'-P-C4' energy: -4.662 flat angles P-C4'-P energy: -4.014 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: 2, replica: 2 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -28.643722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.643722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.643722 (E_RNA) where: Base-Base interactions energy: -11.144 where: short stacking energy: -11.144 Base-Backbone interact. energy: -0.001 local terms energy: -17.498576 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.757 flat angles P-C4'-P energy: -3.142 tors. eta vs tors. theta energy: -0.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -26.722945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.722945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.722945 (E_RNA) where: Base-Base interactions energy: -8.726 where: short stacking energy: -8.726 Base-Backbone interact. energy: -0.030 local terms energy: -17.966437 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -2.873 flat angles C4'-P-C4' energy: -4.009 flat angles P-C4'-P energy: -3.709 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: 1 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -30.296943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.296943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.296943 (E_RNA) where: Base-Base interactions energy: -11.017 where: short stacking energy: -11.017 Base-Backbone interact. energy: -0.000 local terms energy: -19.280307 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -4.119 flat angles P-C4'-P energy: -3.395 tors. eta vs tors. theta energy: -2.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -25.687232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.687232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.687232 (E_RNA) where: Base-Base interactions energy: -8.304 where: short stacking energy: -8.304 Base-Backbone interact. energy: -0.000 local terms energy: -17.383631 where: bonds (distance) C4'-P energy: -3.947 bonds (distance) P-C4' energy: -4.659 flat angles C4'-P-C4' energy: -4.055 flat angles P-C4'-P energy: -3.291 tors. eta vs tors. theta energy: -1.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -24.415173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.415173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.415173 (E_RNA) where: Base-Base interactions energy: -7.674 where: short stacking energy: -7.674 Base-Backbone interact. energy: -0.004 local terms energy: -16.737763 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.294 flat angles P-C4'-P energy: -3.235 tors. eta vs tors. theta energy: 0.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -24.434359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.434359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.434359 (E_RNA) where: Base-Base interactions energy: -9.849 where: short stacking energy: -9.849 Base-Backbone interact. energy: -0.000 local terms energy: -14.585835 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.051 flat angles C4'-P-C4' energy: -2.614 flat angles P-C4'-P energy: -3.625 tors. eta vs tors. theta energy: -0.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -24.500512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.500512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.500512 (E_RNA) where: Base-Base interactions energy: -10.776 where: short stacking energy: -10.776 Base-Backbone interact. energy: -0.005 local terms energy: -13.719849 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -3.082 flat angles C4'-P-C4' energy: -3.819 flat angles P-C4'-P energy: -0.923 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: 9, replica: 6 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -21.331616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.331616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.331616 (E_RNA) where: Base-Base interactions energy: -6.408 where: short stacking energy: -6.408 Base-Backbone interact. energy: -0.000 local terms energy: -14.923137 where: bonds (distance) C4'-P energy: -2.797 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.592 flat angles P-C4'-P energy: -2.973 tors. eta vs tors. theta energy: -0.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -20.445935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.445935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.445935 (E_RNA) where: Base-Base interactions energy: -3.704 where: short stacking energy: -3.704 Base-Backbone interact. energy: -0.000 local terms energy: -16.741955 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.026 flat angles P-C4'-P energy: -2.874 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: 1, replica: 9 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -25.701539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.701539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.701539 (E_RNA) where: Base-Base interactions energy: -6.151 where: short stacking energy: -6.151 Base-Backbone interact. energy: -0.005 local terms energy: -19.545212 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.500 flat angles P-C4'-P energy: -3.333 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: 2, replica: 7 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -26.556318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.556318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.556318 (E_RNA) where: Base-Base interactions energy: -6.540 where: short stacking energy: -6.540 Base-Backbone interact. energy: -0.023 local terms energy: -19.993933 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.481 flat angles P-C4'-P energy: -3.537 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: 3, replica: 2 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -29.960393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.960393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.960393 (E_RNA) where: Base-Base interactions energy: -11.561 where: short stacking energy: -11.561 Base-Backbone interact. energy: -0.000 local terms energy: -18.398883 where: bonds (distance) C4'-P energy: -3.939 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -2.633 flat angles P-C4'-P energy: -3.396 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: 4, replica: 10 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -27.029560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.029560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.029560 (E_RNA) where: Base-Base interactions energy: -7.539 where: short stacking energy: -7.539 Base-Backbone interact. energy: -0.000 local terms energy: -19.490986 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.629 flat angles P-C4'-P energy: -3.185 tors. eta vs tors. theta energy: -2.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -23.399816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.399816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.399816 (E_RNA) where: Base-Base interactions energy: -3.324 where: short stacking energy: -3.324 Base-Backbone interact. energy: -0.000 local terms energy: -20.075598 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.437 flat angles P-C4'-P energy: -2.573 tors. eta vs tors. theta energy: -3.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -23.401927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.401927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.401927 (E_RNA) where: Base-Base interactions energy: -6.880 where: short stacking energy: -6.880 Base-Backbone interact. energy: -0.007 local terms energy: -16.515408 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -2.672 flat angles P-C4'-P energy: -3.387 tors. eta vs tors. theta energy: -1.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -24.608831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.608831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.608831 (E_RNA) where: Base-Base interactions energy: -6.617 where: short stacking energy: -6.617 Base-Backbone interact. energy: -0.000 local terms energy: -17.991916 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.481 flat angles P-C4'-P energy: -3.023 tors. eta vs tors. theta energy: -3.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -22.300183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.300183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.300183 (E_RNA) where: Base-Base interactions energy: -7.742 where: short stacking energy: -7.742 Base-Backbone interact. energy: -0.014 local terms energy: -14.544295 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -4.025 flat angles P-C4'-P energy: -1.609 tors. eta vs tors. theta energy: 0.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -22.317253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.317253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.317253 (E_RNA) where: Base-Base interactions energy: -5.369 where: short stacking energy: -5.369 Base-Backbone interact. energy: -0.000 local terms energy: -16.948429 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.673 flat angles P-C4'-P energy: -3.363 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: 10, replica: 3 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -22.078703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.078703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.078703 (E_RNA) where: Base-Base interactions energy: -3.445 where: short stacking energy: -3.939 Base-Backbone interact. energy: -0.000 local terms energy: -18.634085 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.690 flat angles P-C4'-P energy: -2.094 tors. eta vs tors. theta energy: -3.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -26.773821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.773821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.773821 (E_RNA) where: Base-Base interactions energy: -6.715 where: short stacking energy: -6.715 Base-Backbone interact. energy: -0.003 local terms energy: -20.056403 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -2.881 flat angles P-C4'-P energy: -3.637 tors. eta vs tors. theta energy: -4.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -26.649845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.649845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.649845 (E_RNA) where: Base-Base interactions energy: -9.761 where: short stacking energy: -9.761 Base-Backbone interact. energy: -0.005 local terms energy: -16.883745 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.344 flat angles P-C4'-P energy: -3.338 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: 3, replica: 10 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -28.015312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.015312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.015312 (E_RNA) where: Base-Base interactions energy: -9.664 where: short stacking energy: -9.664 Base-Backbone interact. energy: -0.000 local terms energy: -18.351160 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -2.660 flat angles P-C4'-P energy: -3.594 tors. eta vs tors. theta energy: -2.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -24.597388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.597388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.597388 (E_RNA) where: Base-Base interactions energy: -8.483 where: short stacking energy: -8.483 Base-Backbone interact. energy: -0.000 local terms energy: -16.114318 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -2.653 flat angles P-C4'-P energy: -2.782 tors. eta vs tors. theta energy: -1.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -23.319335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.319335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.319335 (E_RNA) where: Base-Base interactions energy: -5.225 where: short stacking energy: -5.225 Base-Backbone interact. energy: -0.000 local terms energy: -18.094233 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.299 flat angles P-C4'-P energy: -2.591 tors. eta vs tors. theta energy: -1.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -25.382339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.382339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.382339 (E_RNA) where: Base-Base interactions energy: -8.297 where: short stacking energy: -8.297 Base-Backbone interact. energy: -0.001 local terms energy: -17.084264 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.735 flat angles P-C4'-P energy: -2.136 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: 7, replica: 6 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -21.617655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.617655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.617655 (E_RNA) where: Base-Base interactions energy: -7.876 where: short stacking energy: -7.876 Base-Backbone interact. energy: -0.159 local terms energy: -13.582421 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -3.790 flat angles C4'-P-C4' energy: -2.472 flat angles P-C4'-P energy: -3.166 tors. eta vs tors. theta energy: -0.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -21.292331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.292331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.292331 (E_RNA) where: Base-Base interactions energy: -6.186 where: short stacking energy: -6.186 Base-Backbone interact. energy: -0.000 local terms energy: -15.106605 where: bonds (distance) C4'-P energy: -2.689 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.045 flat angles P-C4'-P energy: -2.675 tors. eta vs tors. theta energy: -0.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -19.913396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.913396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.913396 (E_RNA) where: Base-Base interactions energy: -4.292 where: short stacking energy: -4.292 Base-Backbone interact. energy: -0.000 local terms energy: -15.620755 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.150 flat angles P-C4'-P energy: -3.788 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: 4 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -22.619251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.619251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.619251 (E_RNA) where: Base-Base interactions energy: -7.650 where: short stacking energy: -7.650 Base-Backbone interact. energy: -0.001 local terms energy: -14.968131 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.718 flat angles P-C4'-P energy: -3.235 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: 1, replica: 9 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -25.595564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.595564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.595564 (E_RNA) where: Base-Base interactions energy: -7.717 where: short stacking energy: -7.717 Base-Backbone interact. energy: -0.000 local terms energy: -17.879040 where: bonds (distance) C4'-P energy: -3.761 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.394 flat angles P-C4'-P energy: -2.894 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: 2, replica: 7 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -27.501662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.501662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.501662 (E_RNA) where: Base-Base interactions energy: -9.925 where: short stacking energy: -9.925 Base-Backbone interact. energy: -0.003 local terms energy: -17.574153 where: bonds (distance) C4'-P energy: -2.121 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.233 flat angles P-C4'-P energy: -3.561 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: 3, replica: 10 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -26.303611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.303611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.303611 (E_RNA) where: Base-Base interactions energy: -8.372 where: short stacking energy: -8.372 Base-Backbone interact. energy: -0.000 local terms energy: -17.932058 where: bonds (distance) C4'-P energy: -3.040 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -2.129 flat angles P-C4'-P energy: -3.459 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: 4, replica: 5 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -27.279175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.279175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.279175 (E_RNA) where: Base-Base interactions energy: -8.390 where: short stacking energy: -8.390 Base-Backbone interact. energy: -0.000 local terms energy: -18.888751 where: bonds (distance) C4'-P energy: -2.867 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.710 flat angles P-C4'-P energy: -4.139 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: 5, replica: 2 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -23.152112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.152112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.152112 (E_RNA) where: Base-Base interactions energy: -7.369 where: short stacking energy: -7.369 Base-Backbone interact. energy: -0.000 local terms energy: -15.782987 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -4.394 flat angles P-C4'-P energy: -1.817 tors. eta vs tors. theta energy: -1.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -22.922961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.922961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.922961 (E_RNA) where: Base-Base interactions energy: -6.109 where: short stacking energy: -6.109 Base-Backbone interact. energy: -0.000 local terms energy: -16.814043 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.379 flat angles P-C4'-P energy: -2.893 tors. eta vs tors. theta energy: 0.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -20.494149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.494149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.494149 (E_RNA) where: Base-Base interactions energy: -5.504 where: short stacking energy: -5.504 Base-Backbone interact. energy: -0.010 local terms energy: -14.980226 where: bonds (distance) C4'-P energy: -2.573 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.748 flat angles P-C4'-P energy: -2.210 tors. eta vs tors. theta energy: -1.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -22.610749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.610749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.610749 (E_RNA) where: Base-Base interactions energy: -5.791 where: short stacking energy: -5.791 Base-Backbone interact. energy: -0.000 local terms energy: -16.820211 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -3.582 flat angles C4'-P-C4' energy: -4.574 flat angles P-C4'-P energy: -3.484 tors. eta vs tors. theta energy: -1.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -21.219600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.219600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.219600 (E_RNA) where: Base-Base interactions energy: -5.212 where: short stacking energy: -5.212 Base-Backbone interact. energy: -0.000 local terms energy: -16.007718 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -2.219 flat angles C4'-P-C4' energy: -4.168 flat angles P-C4'-P energy: -3.173 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: 10, replica: 4 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -22.218429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.218429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.218429 (E_RNA) where: Base-Base interactions energy: -7.809 where: short stacking energy: -7.809 Base-Backbone interact. energy: -0.000 local terms energy: -14.408921 where: bonds (distance) C4'-P energy: -2.163 bonds (distance) P-C4' energy: -3.984 flat angles C4'-P-C4' energy: -3.923 flat angles P-C4'-P energy: -1.144 tors. eta vs tors. theta energy: -3.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -24.526062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.526062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.526062 (E_RNA) where: Base-Base interactions energy: -5.167 where: short stacking energy: -5.167 Base-Backbone interact. energy: -0.000 local terms energy: -19.359445 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.261 flat angles P-C4'-P energy: -3.587 tors. eta vs tors. theta energy: -2.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -28.970446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.970446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.970446 (E_RNA) where: Base-Base interactions energy: -11.949 where: short stacking energy: -11.949 Base-Backbone interact. energy: -0.000 local terms energy: -17.020764 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.222 flat angles P-C4'-P energy: -2.789 tors. eta vs tors. theta energy: -1.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -27.406311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.406311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.406311 (E_RNA) where: Base-Base interactions energy: -10.291 where: short stacking energy: -10.291 Base-Backbone interact. energy: -0.001 local terms energy: -17.114099 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.908 flat angles P-C4'-P energy: -2.596 tors. eta vs tors. theta energy: -1.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -31.416356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.416356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.416356 (E_RNA) where: Base-Base interactions energy: -11.280 where: short stacking energy: -11.280 Base-Backbone interact. energy: -0.000 local terms energy: -20.136223 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -3.749 flat angles P-C4'-P energy: -3.632 tors. eta vs tors. theta energy: -3.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -26.283880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.283880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.283880 (E_RNA) where: Base-Base interactions energy: -8.879 where: short stacking energy: -8.879 Base-Backbone interact. energy: -0.000 local terms energy: -17.404897 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.013 flat angles P-C4'-P energy: -2.456 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: 6, replica: 2 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -24.343388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.343388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.343388 (E_RNA) where: Base-Base interactions energy: -6.508 where: short stacking energy: -6.508 Base-Backbone interact. energy: -0.000 local terms energy: -17.835800 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -3.811 flat angles C4'-P-C4' energy: -3.152 flat angles P-C4'-P energy: -2.547 tors. eta vs tors. theta energy: -4.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -27.143269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.143269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.143269 (E_RNA) where: Base-Base interactions energy: -9.565 where: short stacking energy: -9.565 Base-Backbone interact. energy: -0.000 local terms energy: -17.577979 where: bonds (distance) C4'-P energy: -3.673 bonds (distance) P-C4' energy: -3.784 flat angles C4'-P-C4' energy: -4.158 flat angles P-C4'-P energy: -2.734 tors. eta vs tors. theta energy: -3.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -23.460601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.460601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.460601 (E_RNA) where: Base-Base interactions energy: -5.392 where: short stacking energy: -5.392 Base-Backbone interact. energy: -0.000 local terms energy: -18.068097 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -3.944 flat angles C4'-P-C4' energy: -4.456 flat angles P-C4'-P energy: -3.264 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: 9, replica: 4 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -21.185786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.185786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.185786 (E_RNA) where: Base-Base interactions energy: -7.187 where: short stacking energy: -7.499 Base-Backbone interact. energy: -0.002 local terms energy: -13.996590 where: bonds (distance) C4'-P energy: -3.861 bonds (distance) P-C4' energy: -2.195 flat angles C4'-P-C4' energy: -3.714 flat angles P-C4'-P energy: -2.365 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: 10, replica: 8 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -24.325467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.325467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.325467 (E_RNA) where: Base-Base interactions energy: -8.212 where: short stacking energy: -8.212 Base-Backbone interact. energy: -0.005 local terms energy: -16.109350 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -3.790 flat angles C4'-P-C4' energy: -4.468 flat angles P-C4'-P energy: -1.783 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: 115 Temperature: 0.900000 Total energy: -27.377800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.377800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.377800 (E_RNA) where: Base-Base interactions energy: -7.889 where: short stacking energy: -7.889 Base-Backbone interact. energy: -0.132 local terms energy: -19.356700 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.256 flat angles P-C4'-P energy: -3.574 tors. eta vs tors. theta energy: -2.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -27.655426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.655426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.655426 (E_RNA) where: Base-Base interactions energy: -8.734 where: short stacking energy: -8.734 Base-Backbone interact. energy: -0.000 local terms energy: -18.921448 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.150 flat angles P-C4'-P energy: -2.553 tors. eta vs tors. theta energy: -3.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -27.521962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.521962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.521962 (E_RNA) where: Base-Base interactions energy: -8.507 where: short stacking energy: -8.507 Base-Backbone interact. energy: -0.076 local terms energy: -18.938802 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.786 flat angles P-C4'-P energy: -3.161 tors. eta vs tors. theta energy: -2.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -25.943218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.943218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.943218 (E_RNA) where: Base-Base interactions energy: -6.687 where: short stacking energy: -6.687 Base-Backbone interact. energy: -0.044 local terms energy: -19.212239 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.471 flat angles P-C4'-P energy: -3.027 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: 5, replica: 10 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -24.580630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.580630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.580630 (E_RNA) where: Base-Base interactions energy: -7.993 where: short stacking energy: -7.993 Base-Backbone interact. energy: -0.001 local terms energy: -16.586578 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.805 flat angles P-C4'-P energy: -0.904 tors. eta vs tors. theta energy: -1.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -23.872889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.872889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.872889 (E_RNA) where: Base-Base interactions energy: -6.622 where: short stacking energy: -6.622 Base-Backbone interact. energy: -0.000 local terms energy: -17.250411 where: bonds (distance) C4'-P energy: -1.968 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -4.717 flat angles P-C4'-P energy: -3.072 tors. eta vs tors. theta energy: -2.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -21.173889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.173889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.173889 (E_RNA) where: Base-Base interactions energy: -3.722 where: short stacking energy: -3.722 Base-Backbone interact. energy: -0.003 local terms energy: -17.449636 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.800 flat angles P-C4'-P energy: -2.944 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: 8, replica: 4 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -20.191605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.191605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.191605 (E_RNA) where: Base-Base interactions energy: -2.765 where: short stacking energy: -2.765 Base-Backbone interact. energy: -0.000 local terms energy: -17.426891 where: bonds (distance) C4'-P energy: -4.341 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.101 flat angles P-C4'-P energy: -3.692 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: 1 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -19.909281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.909281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.909281 (E_RNA) where: Base-Base interactions energy: -5.837 where: short stacking energy: -5.837 Base-Backbone interact. energy: -0.001 local terms energy: -14.071523 where: bonds (distance) C4'-P energy: -3.708 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.144 flat angles P-C4'-P energy: -1.957 tors. eta vs tors. theta energy: -0.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -21.291379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.291379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.291379 (E_RNA) where: Base-Base interactions energy: -5.011 where: short stacking energy: -5.011 Base-Backbone interact. energy: -0.000 local terms energy: -16.280007 where: bonds (distance) C4'-P energy: -3.264 bonds (distance) P-C4' energy: -3.631 flat angles C4'-P-C4' energy: -3.481 flat angles P-C4'-P energy: -1.846 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: 116 Temperature: 0.900000 Total energy: -30.687480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.687480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.687480 (E_RNA) where: Base-Base interactions energy: -10.985 where: short stacking energy: -10.985 Base-Backbone interact. energy: -0.000 local terms energy: -19.702612 where: bonds (distance) C4'-P energy: -3.327 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -4.835 flat angles P-C4'-P energy: -2.752 tors. eta vs tors. theta energy: -4.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -28.167213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.167213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.167213 (E_RNA) where: Base-Base interactions energy: -7.410 where: short stacking energy: -7.410 Base-Backbone interact. energy: -0.000 local terms energy: -20.756845 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.143 flat angles P-C4'-P energy: -2.865 tors. eta vs tors. theta energy: -5.340 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: 6 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -27.781056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.781056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.781056 (E_RNA) where: Base-Base interactions energy: -9.654 where: short stacking energy: -9.654 Base-Backbone interact. energy: -0.000 local terms energy: -18.126817 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -3.811 flat angles C4'-P-C4' energy: -3.746 flat angles P-C4'-P energy: -3.813 tors. eta vs tors. theta energy: -2.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -25.616508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.616508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.616508 (E_RNA) where: Base-Base interactions energy: -8.081 where: short stacking energy: -8.081 Base-Backbone interact. energy: -0.021 local terms energy: -17.514724 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.205 flat angles P-C4'-P energy: -2.435 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: 5, replica: 2 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -23.469405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.469405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.469405 (E_RNA) where: Base-Base interactions energy: -7.847 where: short stacking energy: -7.847 Base-Backbone interact. energy: 0.251 local terms energy: -15.873886 where: bonds (distance) C4'-P energy: -3.451 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -3.740 flat angles P-C4'-P energy: -2.094 tors. eta vs tors. theta energy: -2.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -24.930984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.930984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.930984 (E_RNA) where: Base-Base interactions energy: -7.296 where: short stacking energy: -7.296 Base-Backbone interact. energy: -0.001 local terms energy: -17.634833 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.395 flat angles C4'-P-C4' energy: -3.938 flat angles P-C4'-P energy: -3.008 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: 4 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -24.238005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.238005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.238005 (E_RNA) where: Base-Base interactions energy: -6.075 where: short stacking energy: -6.075 Base-Backbone interact. energy: -0.000 local terms energy: -18.163103 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.604 flat angles P-C4'-P energy: -3.892 tors. eta vs tors. theta energy: -0.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -20.698066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.698066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.698066 (E_RNA) where: Base-Base interactions energy: -3.641 where: short stacking energy: -3.641 Base-Backbone interact. energy: -0.080 local terms energy: -16.976429 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.326 flat angles P-C4'-P energy: -2.334 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: 116 Temperature: 1.300000 Total energy: -22.220689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.220689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.220689 (E_RNA) where: Base-Base interactions energy: -4.379 where: short stacking energy: -4.379 Base-Backbone interact. energy: -0.094 local terms energy: -17.746799 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.190 flat angles P-C4'-P energy: -3.663 tors. eta vs tors. theta energy: -0.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -20.353631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.353631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.353631 (E_RNA) where: Base-Base interactions energy: -4.162 where: short stacking energy: -4.162 Base-Backbone interact. energy: -0.109 local terms energy: -16.083014 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.386 flat angles P-C4'-P energy: -1.932 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: 9 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -30.530059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.530059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.530059 (E_RNA) where: Base-Base interactions energy: -12.419 where: short stacking energy: -12.419 Base-Backbone interact. energy: -0.001 local terms energy: -18.110038 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -4.292 flat angles P-C4'-P energy: -2.569 tors. eta vs tors. theta energy: -2.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -23.179038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.179038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.179038 (E_RNA) where: Base-Base interactions energy: -8.646 where: short stacking energy: -8.646 Base-Backbone interact. energy: -0.001 local terms energy: -14.531519 where: bonds (distance) C4'-P energy: -3.185 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -2.535 flat angles P-C4'-P energy: -2.624 tors. eta vs tors. theta energy: -1.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -25.927327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.927327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.927327 (E_RNA) where: Base-Base interactions energy: -6.819 where: short stacking energy: -6.819 Base-Backbone interact. energy: -0.000 local terms energy: -19.108162 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -5.365 flat angles C4'-P-C4' energy: -3.622 flat angles P-C4'-P energy: -2.906 tors. eta vs tors. theta energy: -3.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -24.305187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.305187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.305187 (E_RNA) where: Base-Base interactions energy: -7.702 where: short stacking energy: -7.702 Base-Backbone interact. energy: -0.009 local terms energy: -16.594477 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -3.726 flat angles C4'-P-C4' energy: -3.744 flat angles P-C4'-P energy: -3.344 tors. eta vs tors. theta energy: -1.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -23.810090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.810090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.810090 (E_RNA) where: Base-Base interactions energy: -7.271 where: short stacking energy: -7.271 Base-Backbone interact. energy: -0.000 local terms energy: -16.539165 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.591 flat angles P-C4'-P energy: -1.006 tors. eta vs tors. theta energy: -2.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -23.206004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.206004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.206004 (E_RNA) where: Base-Base interactions energy: -7.493 where: short stacking energy: -7.493 Base-Backbone interact. energy: -0.001 local terms energy: -15.711924 where: bonds (distance) C4'-P energy: -3.897 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.150 flat angles P-C4'-P energy: -2.295 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: 7, replica: 10 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -22.465951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.465951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.465951 (E_RNA) where: Base-Base interactions energy: -5.961 where: short stacking energy: -5.961 Base-Backbone interact. energy: -0.000 local terms energy: -16.504830 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.631 flat angles P-C4'-P energy: -3.186 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: 8, replica: 8 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -23.216818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.216818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.216818 (E_RNA) where: Base-Base interactions energy: -6.349 where: short stacking energy: -6.349 Base-Backbone interact. energy: -0.000 local terms energy: -16.867406 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -4.311 flat angles C4'-P-C4' energy: -4.333 flat angles P-C4'-P energy: -2.314 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: 9, replica: 3 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -20.262252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.262252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.262252 (E_RNA) where: Base-Base interactions energy: -3.719 where: short stacking energy: -3.719 Base-Backbone interact. energy: -0.001 local terms energy: -16.543116 where: bonds (distance) C4'-P energy: -2.634 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.132 flat angles P-C4'-P energy: -3.359 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: 1 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -21.583752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.583752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.583752 (E_RNA) where: Base-Base interactions energy: -4.417 where: short stacking energy: -4.417 Base-Backbone interact. energy: -0.036 local terms energy: -17.131298 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -5.104 flat angles C4'-P-C4' energy: -4.662 flat angles P-C4'-P energy: -2.381 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: 1, replica: 6 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -29.081519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.081519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.081519 (E_RNA) where: Base-Base interactions energy: -10.672 where: short stacking energy: -10.672 Base-Backbone interact. energy: -0.003 local terms energy: -18.406653 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.485 flat angles P-C4'-P energy: -2.530 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: 2, replica: 9 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -26.640658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.640658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.640658 (E_RNA) where: Base-Base interactions energy: -8.202 where: short stacking energy: -8.202 Base-Backbone interact. energy: -0.000 local terms energy: -18.438512 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.970 flat angles P-C4'-P energy: -2.769 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: 2 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -28.913653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.913653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.913653 (E_RNA) where: Base-Base interactions energy: -11.917 where: short stacking energy: -11.917 Base-Backbone interact. energy: -0.051 local terms energy: -16.945684 where: bonds (distance) C4'-P energy: -3.186 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.683 flat angles P-C4'-P energy: -2.858 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: 4, replica: 7 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -24.177177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.177177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.177177 (E_RNA) where: Base-Base interactions energy: -8.433 where: short stacking energy: -8.433 Base-Backbone interact. energy: -0.007 local terms energy: -15.736854 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -3.360 flat angles C4'-P-C4' energy: -4.368 flat angles P-C4'-P energy: -2.342 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: 5, replica: 5 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -22.508459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.508459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.508459 (E_RNA) where: Base-Base interactions energy: -8.454 where: short stacking energy: -8.454 Base-Backbone interact. energy: -0.000 local terms energy: -14.054886 where: bonds (distance) C4'-P energy: -3.301 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.495 flat angles P-C4'-P energy: -1.940 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: 6, replica: 4 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -23.899257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.899257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.899257 (E_RNA) where: Base-Base interactions energy: -6.502 where: short stacking energy: -6.502 Base-Backbone interact. energy: -0.001 local terms energy: -17.396256 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.678 flat angles P-C4'-P energy: -2.446 tors. eta vs tors. theta energy: -1.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -20.045959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.045959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.045959 (E_RNA) where: Base-Base interactions energy: -3.635 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.037 local terms energy: -16.373905 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -4.428 flat angles P-C4'-P energy: -3.587 tors. eta vs tors. theta energy: 1.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -20.853873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.853873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.853873 (E_RNA) where: Base-Base interactions energy: -3.612 where: short stacking energy: -3.612 Base-Backbone interact. energy: -0.105 local terms energy: -17.136518 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.496 flat angles P-C4'-P energy: -2.692 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: 1 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -19.872706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.872706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.872706 (E_RNA) where: Base-Base interactions energy: -3.590 where: short stacking energy: -3.590 Base-Backbone interact. energy: -0.550 local terms energy: -15.733013 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.627 flat angles P-C4'-P energy: -2.236 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: 3 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -20.233872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.233872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.233872 (E_RNA) where: Base-Base interactions energy: -9.104 where: short stacking energy: -9.104 Base-Backbone interact. energy: -0.003 local terms energy: -11.126453 where: bonds (distance) C4'-P energy: -3.045 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -1.756 flat angles P-C4'-P energy: 0.228 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: 6 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -25.875304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.875304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.875304 (E_RNA) where: Base-Base interactions energy: -9.797 where: short stacking energy: -9.797 Base-Backbone interact. energy: -0.000 local terms energy: -16.077508 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -4.010 flat angles P-C4'-P energy: -3.037 tors. eta vs tors. theta energy: -0.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -29.181687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.181687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.181687 (E_RNA) where: Base-Base interactions energy: -7.472 where: short stacking energy: -7.472 Base-Backbone interact. energy: -0.000 local terms energy: -21.709622 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -2.638 flat angles P-C4'-P energy: -3.995 tors. eta vs tors. theta energy: -5.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -26.117144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.117144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.117144 (E_RNA) where: Base-Base interactions energy: -9.255 where: short stacking energy: -9.255 Base-Backbone interact. energy: -0.001 local terms energy: -16.861536 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -2.369 flat angles P-C4'-P energy: -3.207 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: 4, replica: 5 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -24.721671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.721671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.721671 (E_RNA) where: Base-Base interactions energy: -9.440 where: short stacking energy: -9.440 Base-Backbone interact. energy: -0.000 local terms energy: -15.282019 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.491 flat angles P-C4'-P energy: 0.034 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: 119 Temperature: 1.100000 Total energy: -24.693324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.693324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.693324 (E_RNA) where: Base-Base interactions energy: -4.500 where: short stacking energy: -4.500 Base-Backbone interact. energy: -0.000 local terms energy: -20.193424 where: bonds (distance) C4'-P energy: -4.233 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.767 flat angles P-C4'-P energy: -3.107 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: 8 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -23.590951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.590951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.590951 (E_RNA) where: Base-Base interactions energy: -7.472 where: short stacking energy: -7.472 Base-Backbone interact. energy: -0.000 local terms energy: -16.118913 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.035 flat angles P-C4'-P energy: -2.758 tors. eta vs tors. theta energy: -0.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -22.280088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.280088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.280088 (E_RNA) where: Base-Base interactions energy: -5.676 where: short stacking energy: -5.676 Base-Backbone interact. energy: -0.053 local terms energy: -16.550612 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.979 flat angles P-C4'-P energy: -3.595 tors. eta vs tors. theta energy: 0.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -19.287359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.287359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.287359 (E_RNA) where: Base-Base interactions energy: -3.255 where: short stacking energy: -3.255 Base-Backbone interact. energy: -0.009 local terms energy: -16.023173 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -4.176 flat angles P-C4'-P energy: -2.469 tors. eta vs tors. theta energy: -0.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -21.216859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.216859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.216859 (E_RNA) where: Base-Base interactions energy: -2.989 where: short stacking energy: -2.989 Base-Backbone interact. energy: -0.000 local terms energy: -18.227751 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -4.135 flat angles P-C4'-P energy: -3.928 tors. eta vs tors. theta energy: -1.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -22.490951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.490951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.490951 (E_RNA) where: Base-Base interactions energy: -6.412 where: short stacking energy: -6.412 Base-Backbone interact. energy: -0.000 local terms energy: -16.079380 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.146 flat angles P-C4'-P energy: -3.155 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: 1, replica: 2 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -26.469266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.469266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.469266 (E_RNA) where: Base-Base interactions energy: -10.789 where: short stacking energy: -10.789 Base-Backbone interact. energy: -0.000 local terms energy: -15.679934 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.383 flat angles P-C4'-P energy: -2.424 tors. eta vs tors. theta energy: 0.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -28.781776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.781776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.781776 (E_RNA) where: Base-Base interactions energy: -8.641 where: short stacking energy: -8.641 Base-Backbone interact. energy: -1.182 local terms energy: -18.958836 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.705 flat angles P-C4'-P energy: -3.444 tors. eta vs tors. theta energy: -2.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -30.687100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.687100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.687100 (E_RNA) where: Base-Base interactions energy: -12.049 where: short stacking energy: -12.049 Base-Backbone interact. energy: -0.000 local terms energy: -18.638278 where: bonds (distance) C4'-P energy: -3.344 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.239 flat angles P-C4'-P energy: -2.666 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: 9 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -25.362244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.362244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.362244 (E_RNA) where: Base-Base interactions energy: -7.506 where: short stacking energy: -7.506 Base-Backbone interact. energy: -0.000 local terms energy: -17.856662 where: bonds (distance) C4'-P energy: -3.595 bonds (distance) P-C4' energy: -3.981 flat angles C4'-P-C4' energy: -3.711 flat angles P-C4'-P energy: -3.087 tors. eta vs tors. theta energy: -3.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -23.910083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.910083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.910083 (E_RNA) where: Base-Base interactions energy: -6.707 where: short stacking energy: -6.707 Base-Backbone interact. energy: -0.000 local terms energy: -17.203515 where: bonds (distance) C4'-P energy: -3.264 bonds (distance) P-C4' energy: -3.755 flat angles C4'-P-C4' energy: -3.801 flat angles P-C4'-P energy: -3.681 tors. eta vs tors. theta energy: -2.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -21.802817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.802817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.802817 (E_RNA) where: Base-Base interactions energy: -6.129 where: short stacking energy: -6.129 Base-Backbone interact. energy: -0.000 local terms energy: -15.674135 where: bonds (distance) C4'-P energy: -3.008 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -3.975 flat angles P-C4'-P energy: -3.617 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: 1 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -19.477575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.477575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.477575 (E_RNA) where: Base-Base interactions energy: -4.270 where: short stacking energy: -4.270 Base-Backbone interact. energy: -0.097 local terms energy: -15.110638 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.864 flat angles P-C4'-P energy: -2.928 tors. eta vs tors. theta energy: 0.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -24.556227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.556227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.556227 (E_RNA) where: Base-Base interactions energy: -10.369 where: short stacking energy: -10.369 Base-Backbone interact. energy: -0.000 local terms energy: -14.186930 where: bonds (distance) C4'-P energy: -1.020 bonds (distance) P-C4' energy: -4.345 flat angles C4'-P-C4' energy: -4.270 flat angles P-C4'-P energy: -1.395 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: 9, replica: 3 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -22.204035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.204035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.204035 (E_RNA) where: Base-Base interactions energy: -6.085 where: short stacking energy: -6.085 Base-Backbone interact. energy: -0.008 local terms energy: -16.111650 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.332 flat angles P-C4'-P energy: -2.936 tors. eta vs tors. theta energy: -0.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -22.059914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.059914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.059914 (E_RNA) where: Base-Base interactions energy: -6.692 where: short stacking energy: -6.692 Base-Backbone interact. energy: -0.073 local terms energy: -15.293994 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -2.861 flat angles C4'-P-C4' energy: -2.531 flat angles P-C4'-P energy: -3.369 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: 1, replica: 2 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -28.890011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.890011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.890011 (E_RNA) where: Base-Base interactions energy: -8.352 where: short stacking energy: -8.352 Base-Backbone interact. energy: -0.000 local terms energy: -20.538352 where: bonds (distance) C4'-P energy: -4.233 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.601 flat angles P-C4'-P energy: -4.017 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: 2, replica: 5 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -28.297055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.297055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.297055 (E_RNA) where: Base-Base interactions energy: -8.388 where: short stacking energy: -8.388 Base-Backbone interact. energy: -0.000 local terms energy: -19.908791 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.370 flat angles C4'-P-C4' energy: -3.169 flat angles P-C4'-P energy: -3.419 tors. eta vs tors. theta energy: -4.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -26.605196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.605196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.605196 (E_RNA) where: Base-Base interactions energy: -8.373 where: short stacking energy: -8.373 Base-Backbone interact. energy: -0.000 local terms energy: -18.231867 where: bonds (distance) C4'-P energy: -1.286 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -4.185 flat angles P-C4'-P energy: -3.223 tors. eta vs tors. theta energy: -4.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -27.064170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.064170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.064170 (E_RNA) where: Base-Base interactions energy: -7.791 where: short stacking energy: -8.006 Base-Backbone interact. energy: 0.164 local terms energy: -19.437438 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.358 flat angles P-C4'-P energy: -3.251 tors. eta vs tors. theta energy: -2.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -21.627775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.627775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.627775 (E_RNA) where: Base-Base interactions energy: -8.198 where: short stacking energy: -8.198 Base-Backbone interact. energy: -0.006 local terms energy: -13.424554 where: bonds (distance) C4'-P energy: -3.301 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.341 flat angles P-C4'-P energy: -0.594 tors. eta vs tors. theta energy: -0.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -21.189571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.189571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.189571 (E_RNA) where: Base-Base interactions energy: -6.024 where: short stacking energy: -6.024 Base-Backbone interact. energy: -0.034 local terms energy: -15.131920 where: bonds (distance) C4'-P energy: -2.859 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -3.506 flat angles P-C4'-P energy: -3.154 tors. eta vs tors. theta energy: -1.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -23.029607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.029607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.029607 (E_RNA) where: Base-Base interactions energy: -5.322 where: short stacking energy: -5.322 Base-Backbone interact. energy: -0.024 local terms energy: -17.683957 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -3.916 flat angles C4'-P-C4' energy: -3.744 flat angles P-C4'-P energy: -3.957 tors. eta vs tors. theta energy: -2.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -20.010546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.010546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.010546 (E_RNA) where: Base-Base interactions energy: -4.016 where: short stacking energy: -4.016 Base-Backbone interact. energy: -0.000 local terms energy: -15.994939 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -1.571 flat angles P-C4'-P energy: -3.197 tors. eta vs tors. theta energy: -2.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -25.146841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.146841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.146841 (E_RNA) where: Base-Base interactions energy: -8.999 where: short stacking energy: -8.999 Base-Backbone interact. energy: -0.000 local terms energy: -16.147835 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.449 flat angles P-C4'-P energy: -0.264 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: 10 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -21.245021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.245021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.245021 (E_RNA) where: Base-Base interactions energy: -7.736 where: short stacking energy: -7.736 Base-Backbone interact. energy: -0.000 local terms energy: -13.508550 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -2.413 flat angles C4'-P-C4' energy: -3.250 flat angles P-C4'-P energy: -1.978 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: 122 Temperature: 0.900000 Total energy: -27.745128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.745128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.745128 (E_RNA) where: Base-Base interactions energy: -7.134 where: short stacking energy: -7.134 Base-Backbone interact. energy: -0.000 local terms energy: -20.610897 where: bonds (distance) C4'-P energy: -3.264 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -4.015 flat angles P-C4'-P energy: -3.592 tors. eta vs tors. theta energy: -5.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -26.726977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.726977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.726977 (E_RNA) where: Base-Base interactions energy: -10.781 where: short stacking energy: -10.781 Base-Backbone interact. energy: -0.000 local terms energy: -15.945681 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.200 flat angles P-C4'-P energy: -2.618 tors. eta vs tors. theta energy: -1.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -26.822759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.822759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.822759 (E_RNA) where: Base-Base interactions energy: -10.000 where: short stacking energy: -10.000 Base-Backbone interact. energy: -0.000 local terms energy: -16.822863 where: bonds (distance) C4'-P energy: -3.479 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.436 flat angles P-C4'-P energy: -1.653 tors. eta vs tors. theta energy: -2.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -22.195151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.195151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.195151 (E_RNA) where: Base-Base interactions energy: -5.743 where: short stacking energy: -5.743 Base-Backbone interact. energy: -0.032 local terms energy: -16.419476 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.412 flat angles P-C4'-P energy: -3.466 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: 5, replica: 1 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -28.950656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.950656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.950656 (E_RNA) where: Base-Base interactions energy: -10.668 where: short stacking energy: -10.668 Base-Backbone interact. energy: -0.000 local terms energy: -18.282836 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -4.176 flat angles P-C4'-P energy: -2.073 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: 6, replica: 9 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -24.326046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.326046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.326046 (E_RNA) where: Base-Base interactions energy: -5.269 where: short stacking energy: -5.269 Base-Backbone interact. energy: -0.003 local terms energy: -19.053797 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.831 flat angles P-C4'-P energy: -3.430 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: 7, replica: 3 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -27.688307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.688307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.688307 (E_RNA) where: Base-Base interactions energy: -7.672 where: short stacking energy: -7.672 Base-Backbone interact. energy: -0.000 local terms energy: -20.016506 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.241 flat angles P-C4'-P energy: -2.677 tors. eta vs tors. theta energy: -4.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -20.471384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.471384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.471384 (E_RNA) where: Base-Base interactions energy: -4.231 where: short stacking energy: -4.231 Base-Backbone interact. energy: -0.000 local terms energy: -16.240221 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.953 flat angles P-C4'-P energy: -3.491 tors. eta vs tors. theta energy: -0.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -25.629627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.629627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.629627 (E_RNA) where: Base-Base interactions energy: -9.988 where: short stacking energy: -9.988 Base-Backbone interact. energy: -0.000 local terms energy: -15.641944 where: bonds (distance) C4'-P energy: -2.370 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.416 flat angles P-C4'-P energy: -1.594 tors. eta vs tors. theta energy: -3.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -24.391916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.391916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.391916 (E_RNA) where: Base-Base interactions energy: -8.101 where: short stacking energy: -8.101 Base-Backbone interact. energy: -0.004 local terms energy: -16.287135 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -3.790 flat angles C4'-P-C4' energy: -3.567 flat angles P-C4'-P energy: -2.838 tors. eta vs tors. theta energy: -2.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -28.315698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.315698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.315698 (E_RNA) where: Base-Base interactions energy: -8.690 where: short stacking energy: -8.690 Base-Backbone interact. energy: -0.077 local terms energy: -19.548137 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.544 flat angles P-C4'-P energy: -2.118 tors. eta vs tors. theta energy: -3.599 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: 6 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -30.212386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.212386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.212386 (E_RNA) where: Base-Base interactions energy: -11.479 where: short stacking energy: -11.479 Base-Backbone interact. energy: -0.000 local terms energy: -18.732899 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.539 flat angles P-C4'-P energy: -2.059 tors. eta vs tors. theta energy: -3.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -26.253677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.253677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.253677 (E_RNA) where: Base-Base interactions energy: -7.975 where: short stacking energy: -7.975 Base-Backbone interact. energy: -0.000 local terms energy: -18.278624 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.941 flat angles C4'-P-C4' energy: -4.202 flat angles P-C4'-P energy: -3.343 tors. eta vs tors. theta energy: -2.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -24.945290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.945290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.945290 (E_RNA) where: Base-Base interactions energy: -5.741 where: short stacking energy: -5.741 Base-Backbone interact. energy: -0.000 local terms energy: -19.204440 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.365 flat angles P-C4'-P energy: -3.300 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: 8 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -24.111350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.111350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.111350 (E_RNA) where: Base-Base interactions energy: -11.156 where: short stacking energy: -11.156 Base-Backbone interact. energy: -0.040 local terms energy: -12.914757 where: bonds (distance) C4'-P energy: -2.271 bonds (distance) P-C4' energy: -3.349 flat angles C4'-P-C4' energy: -3.698 flat angles P-C4'-P energy: -2.308 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: 6, replica: 3 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -23.088182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.088182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.088182 (E_RNA) where: Base-Base interactions energy: -8.181 where: short stacking energy: -8.181 Base-Backbone interact. energy: -0.013 local terms energy: -14.893873 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.569 flat angles C4'-P-C4' energy: -2.390 flat angles P-C4'-P energy: -3.056 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: 9 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -25.437696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.437696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.437696 (E_RNA) where: Base-Base interactions energy: -7.677 where: short stacking energy: -7.677 Base-Backbone interact. energy: -0.000 local terms energy: -17.760990 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.883 flat angles P-C4'-P energy: -2.008 tors. eta vs tors. theta energy: -2.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -21.728976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.728976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.728976 (E_RNA) where: Base-Base interactions energy: -4.474 where: short stacking energy: -4.474 Base-Backbone interact. energy: -0.001 local terms energy: -17.253937 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -3.959 flat angles P-C4'-P energy: -3.368 tors. eta vs tors. theta energy: -1.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -23.357122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.357122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.357122 (E_RNA) where: Base-Base interactions energy: -8.602 where: short stacking energy: -8.602 Base-Backbone interact. energy: -0.000 local terms energy: -14.755308 where: bonds (distance) C4'-P energy: -2.804 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.261 flat angles P-C4'-P energy: -1.643 tors. eta vs tors. theta energy: -0.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -21.051186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.051186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.051186 (E_RNA) where: Base-Base interactions energy: -6.922 where: short stacking energy: -6.922 Base-Backbone interact. energy: -0.004 local terms energy: -14.126075 where: bonds (distance) C4'-P energy: -3.070 bonds (distance) P-C4' energy: -3.103 flat angles C4'-P-C4' energy: -3.976 flat angles P-C4'-P energy: -2.417 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: 6 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -28.790887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.790887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.790887 (E_RNA) where: Base-Base interactions energy: -7.282 where: short stacking energy: -7.282 Base-Backbone interact. energy: -0.000 local terms energy: -21.508369 where: bonds (distance) C4'-P energy: -3.861 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.849 flat angles P-C4'-P energy: -3.586 tors. eta vs tors. theta energy: -4.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -26.524964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.524964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.524964 (E_RNA) where: Base-Base interactions energy: -11.022 where: short stacking energy: -11.022 Base-Backbone interact. energy: -0.000 local terms energy: -15.502564 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.311 flat angles C4'-P-C4' energy: -2.933 flat angles P-C4'-P energy: -1.089 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: 3, replica: 1 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -24.260986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.260986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.260986 (E_RNA) where: Base-Base interactions energy: -7.463 where: short stacking energy: -7.850 Base-Backbone interact. energy: -0.000 local terms energy: -16.798270 where: bonds (distance) C4'-P energy: -3.309 bonds (distance) P-C4' energy: -4.631 flat angles C4'-P-C4' energy: -4.040 flat angles P-C4'-P energy: -1.552 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: 4, replica: 2 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -23.261193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.261193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.261193 (E_RNA) where: Base-Base interactions energy: -7.284 where: short stacking energy: -7.284 Base-Backbone interact. energy: -0.022 local terms energy: -15.954377 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -2.995 flat angles P-C4'-P energy: -2.378 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: 5, replica: 3 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -22.712827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.712827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.712827 (E_RNA) where: Base-Base interactions energy: -6.659 where: short stacking energy: -6.659 Base-Backbone interact. energy: -0.013 local terms energy: -16.041501 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.637 flat angles P-C4'-P energy: -1.940 tors. eta vs tors. theta energy: -1.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -22.379611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.379611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.379611 (E_RNA) where: Base-Base interactions energy: -7.603 where: short stacking energy: -7.603 Base-Backbone interact. energy: -0.000 local terms energy: -14.776521 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.305 flat angles P-C4'-P energy: -1.974 tors. eta vs tors. theta energy: 0.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -22.564995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.564995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.564995 (E_RNA) where: Base-Base interactions energy: -4.411 where: short stacking energy: -4.411 Base-Backbone interact. energy: -0.893 local terms energy: -17.260758 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -4.539 flat angles P-C4'-P energy: -3.088 tors. eta vs tors. theta energy: -0.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -25.221976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.221976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.221976 (E_RNA) where: Base-Base interactions energy: -9.052 where: short stacking energy: -9.052 Base-Backbone interact. energy: -0.011 local terms energy: -16.158890 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -1.728 flat angles P-C4'-P energy: -1.908 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: 124 Temperature: 1.300000 Total energy: -25.078866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.078866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.078866 (E_RNA) where: Base-Base interactions energy: -6.968 where: short stacking energy: -6.968 Base-Backbone interact. energy: -0.000 local terms energy: -18.110843 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -3.106 flat angles C4'-P-C4' energy: -4.835 flat angles P-C4'-P energy: -2.825 tors. eta vs tors. theta energy: -3.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -21.312614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.312614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.312614 (E_RNA) where: Base-Base interactions energy: -5.477 where: short stacking energy: -5.477 Base-Backbone interact. energy: -0.001 local terms energy: -15.834215 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -4.489 flat angles P-C4'-P energy: -3.411 tors. eta vs tors. theta energy: 0.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -31.119437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.119437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.119437 (E_RNA) where: Base-Base interactions energy: -12.265 where: short stacking energy: -12.265 Base-Backbone interact. energy: -0.000 local terms energy: -18.854044 where: bonds (distance) C4'-P energy: -1.277 bonds (distance) P-C4' energy: -5.104 flat angles C4'-P-C4' energy: -3.993 flat angles P-C4'-P energy: -3.644 tors. eta vs tors. theta energy: -4.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -26.750198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.750198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.750198 (E_RNA) where: Base-Base interactions energy: -7.399 where: short stacking energy: -7.399 Base-Backbone interact. energy: 0.667 local terms energy: -20.017745 where: bonds (distance) C4'-P energy: -4.750 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.290 flat angles P-C4'-P energy: -3.708 tors. eta vs tors. theta energy: -2.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -25.658612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.658612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.658612 (E_RNA) where: Base-Base interactions energy: -11.091 where: short stacking energy: -11.091 Base-Backbone interact. energy: -0.638 local terms energy: -13.929222 where: bonds (distance) C4'-P energy: -3.124 bonds (distance) P-C4' energy: -3.849 flat angles C4'-P-C4' energy: -3.709 flat angles P-C4'-P energy: -2.004 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: 4, replica: 3 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -25.140775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.140775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.140775 (E_RNA) where: Base-Base interactions energy: -8.302 where: short stacking energy: -8.302 Base-Backbone interact. energy: -0.000 local terms energy: -16.838840 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -3.748 flat angles C4'-P-C4' energy: -4.191 flat angles P-C4'-P energy: -1.801 tors. eta vs tors. theta energy: -3.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -23.019993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.019993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.019993 (E_RNA) where: Base-Base interactions energy: -6.477 where: short stacking energy: -6.477 Base-Backbone interact. energy: -0.001 local terms energy: -16.542238 where: bonds (distance) C4'-P energy: -3.567 bonds (distance) P-C4' energy: -3.786 flat angles C4'-P-C4' energy: -4.083 flat angles P-C4'-P energy: -2.916 tors. eta vs tors. theta energy: -2.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -24.889298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.889298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.889298 (E_RNA) where: Base-Base interactions energy: -7.700 where: short stacking energy: -7.700 Base-Backbone interact. energy: -0.095 local terms energy: -17.094787 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.392 flat angles P-C4'-P energy: -0.987 tors. eta vs tors. theta energy: -2.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -25.553123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.553123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.553123 (E_RNA) where: Base-Base interactions energy: -11.670 where: short stacking energy: -11.670 Base-Backbone interact. energy: -0.000 local terms energy: -13.883037 where: bonds (distance) C4'-P energy: -3.070 bonds (distance) P-C4' energy: -1.538 flat angles C4'-P-C4' energy: -1.475 flat angles P-C4'-P energy: -4.051 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: 8, replica: 4 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -23.209483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.209483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.209483 (E_RNA) where: Base-Base interactions energy: -7.151 where: short stacking energy: -7.151 Base-Backbone interact. energy: -0.000 local terms energy: -16.057886 where: bonds (distance) C4'-P energy: -3.479 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.487 flat angles P-C4'-P energy: -1.912 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: 9 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -22.299230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.299230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.299230 (E_RNA) where: Base-Base interactions energy: -4.668 where: short stacking energy: -4.668 Base-Backbone interact. energy: -0.000 local terms energy: -17.631283 where: bonds (distance) C4'-P energy: -3.451 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -4.364 flat angles P-C4'-P energy: -3.710 tors. eta vs tors. theta energy: -1.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -22.745558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.745558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.745558 (E_RNA) where: Base-Base interactions energy: -7.677 where: short stacking energy: -7.677 Base-Backbone interact. energy: -0.000 local terms energy: -15.068635 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -3.234 flat angles P-C4'-P energy: -2.426 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: 1, replica: 1 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -32.558210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.558210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.558210 (E_RNA) where: Base-Base interactions energy: -12.334 where: short stacking energy: -12.334 Base-Backbone interact. energy: -0.000 local terms energy: -20.224416 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -3.834 flat angles P-C4'-P energy: -3.146 tors. eta vs tors. theta energy: -4.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -24.950296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.950296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.950296 (E_RNA) where: Base-Base interactions energy: -8.052 where: short stacking energy: -8.052 Base-Backbone interact. energy: -0.084 local terms energy: -16.814393 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.220 flat angles P-C4'-P energy: -3.567 tors. eta vs tors. theta energy: -0.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -26.418400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.418400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.418400 (E_RNA) where: Base-Base interactions energy: -6.902 where: short stacking energy: -6.902 Base-Backbone interact. energy: -0.000 local terms energy: -19.516046 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -3.659 flat angles C4'-P-C4' energy: -4.024 flat angles P-C4'-P energy: -2.443 tors. eta vs tors. theta energy: -4.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -25.014185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.014185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.014185 (E_RNA) where: Base-Base interactions energy: -11.969 where: short stacking energy: -11.969 Base-Backbone interact. energy: -0.069 local terms energy: -12.976015 where: bonds (distance) C4'-P energy: -1.037 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -3.661 flat angles P-C4'-P energy: -3.319 tors. eta vs tors. theta energy: -0.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -23.013272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.013272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.013272 (E_RNA) where: Base-Base interactions energy: -6.045 where: short stacking energy: -6.045 Base-Backbone interact. energy: -0.000 local terms energy: -16.968238 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.152 flat angles P-C4'-P energy: -1.088 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: 2 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -23.929248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.929248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.929248 (E_RNA) where: Base-Base interactions energy: -7.820 where: short stacking energy: -7.820 Base-Backbone interact. energy: -0.028 local terms energy: -16.081274 where: bonds (distance) C4'-P energy: -3.264 bonds (distance) P-C4' energy: -4.149 flat angles C4'-P-C4' energy: -4.375 flat angles P-C4'-P energy: -3.403 tors. eta vs tors. theta energy: -0.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -23.103573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.103573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.103573 (E_RNA) where: Base-Base interactions energy: -7.227 where: short stacking energy: -7.227 Base-Backbone interact. energy: -0.000 local terms energy: -15.876249 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.008 flat angles P-C4'-P energy: -2.490 tors. eta vs tors. theta energy: -2.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -21.921908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.921908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.921908 (E_RNA) where: Base-Base interactions energy: -6.476 where: short stacking energy: -6.476 Base-Backbone interact. energy: -0.110 local terms energy: -15.335835 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.006 flat angles P-C4'-P energy: -1.779 tors. eta vs tors. theta energy: -0.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -22.004798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.004798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.004798 (E_RNA) where: Base-Base interactions energy: -4.140 where: short stacking energy: -4.140 Base-Backbone interact. energy: -0.015 local terms energy: -17.849612 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -4.261 flat angles P-C4'-P energy: -3.085 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: 9 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -24.301884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.301884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.301884 (E_RNA) where: Base-Base interactions energy: -7.047 where: short stacking energy: -7.047 Base-Backbone interact. energy: -0.003 local terms energy: -17.251421 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.138 flat angles P-C4'-P energy: -3.759 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: 1, replica: 1 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -24.039893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.039893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.039893 (E_RNA) where: Base-Base interactions energy: -7.488 where: short stacking energy: -7.651 Base-Backbone interact. energy: -0.011 local terms energy: -16.541058 where: bonds (distance) C4'-P energy: -3.277 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.131 flat angles P-C4'-P energy: -3.582 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: 2, replica: 3 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -26.833548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.833548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.833548 (E_RNA) where: Base-Base interactions energy: -7.985 where: short stacking energy: -7.985 Base-Backbone interact. energy: -0.000 local terms energy: -18.848736 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.357 flat angles P-C4'-P energy: -4.003 tors. eta vs tors. theta energy: -2.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -26.614643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.614643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.614643 (E_RNA) where: Base-Base interactions energy: -6.742 where: short stacking energy: -6.742 Base-Backbone interact. energy: -0.000 local terms energy: -19.872438 where: bonds (distance) C4'-P energy: -4.005 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -4.384 flat angles P-C4'-P energy: -2.472 tors. eta vs tors. theta energy: -4.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -26.595296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.595296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.595296 (E_RNA) where: Base-Base interactions energy: -8.802 where: short stacking energy: -8.802 Base-Backbone interact. energy: -0.000 local terms energy: -17.793165 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.128 flat angles P-C4'-P energy: -2.675 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: 5, replica: 5 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -25.299029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.299029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.299029 (E_RNA) where: Base-Base interactions energy: -7.393 where: short stacking energy: -7.393 Base-Backbone interact. energy: -0.000 local terms energy: -17.906307 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.218 flat angles P-C4'-P energy: -3.270 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: 6, replica: 4 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -23.872020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.872020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.872020 (E_RNA) where: Base-Base interactions energy: -3.607 where: short stacking energy: -3.607 Base-Backbone interact. energy: -0.000 local terms energy: -20.264570 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.678 flat angles P-C4'-P energy: -1.218 tors. eta vs tors. theta energy: -5.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -25.454325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.454325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.454325 (E_RNA) where: Base-Base interactions energy: -9.420 where: short stacking energy: -9.420 Base-Backbone interact. energy: -0.000 local terms energy: -16.034225 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -2.803 flat angles C4'-P-C4' energy: -3.796 flat angles P-C4'-P energy: -2.737 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: 7 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -21.909559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.909559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.909559 (E_RNA) where: Base-Base interactions energy: -4.076 where: short stacking energy: -4.076 Base-Backbone interact. energy: -0.000 local terms energy: -17.833185 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.326 flat angles P-C4'-P energy: -3.189 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: 10 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -18.421007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.421007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.421007 (E_RNA) where: Base-Base interactions energy: -4.844 where: short stacking energy: -4.844 Base-Backbone interact. energy: -0.004 local terms energy: -13.573110 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -2.242 flat angles P-C4'-P energy: -1.877 tors. eta vs tors. theta energy: 0.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -21.706686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.706686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.706686 (E_RNA) where: Base-Base interactions energy: -6.145 where: short stacking energy: -6.145 Base-Backbone interact. energy: -0.000 local terms energy: -15.561608 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -3.786 flat angles C4'-P-C4' energy: -3.275 flat angles P-C4'-P energy: -1.529 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: 1, replica: 3 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -28.151183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.151183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.151183 (E_RNA) where: Base-Base interactions energy: -9.138 where: short stacking energy: -9.138 Base-Backbone interact. energy: -0.001 local terms energy: -19.012433 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.575 flat angles P-C4'-P energy: -3.009 tors. eta vs tors. theta energy: -2.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -24.322986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.322986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.322986 (E_RNA) where: Base-Base interactions energy: -7.071 where: short stacking energy: -7.071 Base-Backbone interact. energy: -0.000 local terms energy: -17.251673 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -3.755 flat angles C4'-P-C4' energy: -3.837 flat angles P-C4'-P energy: -3.796 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: 3, replica: 8 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -20.255106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.255106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.255106 (E_RNA) where: Base-Base interactions energy: -4.483 where: short stacking energy: -4.483 Base-Backbone interact. energy: -0.089 local terms energy: -15.682953 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -2.297 flat angles P-C4'-P energy: -3.133 tors. eta vs tors. theta energy: -1.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -24.711810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.711810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.711810 (E_RNA) where: Base-Base interactions energy: -6.243 where: short stacking energy: -6.243 Base-Backbone interact. energy: -0.000 local terms energy: -18.468826 where: bonds (distance) C4'-P energy: -4.742 bonds (distance) P-C4' energy: -3.790 flat angles C4'-P-C4' energy: -3.994 flat angles P-C4'-P energy: -3.485 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: 4 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -21.983396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.983396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.983396 (E_RNA) where: Base-Base interactions energy: -3.685 where: short stacking energy: -3.685 Base-Backbone interact. energy: -0.001 local terms energy: -18.298095 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.275 flat angles P-C4'-P energy: -3.222 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: 5 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -24.382480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.382480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.382480 (E_RNA) where: Base-Base interactions energy: -8.106 where: short stacking energy: -8.106 Base-Backbone interact. energy: -0.000 local terms energy: -16.276632 where: bonds (distance) C4'-P energy: -1.976 bonds (distance) P-C4' energy: -3.723 flat angles C4'-P-C4' energy: -4.000 flat angles P-C4'-P energy: -2.047 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: 7, replica: 7 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -23.793040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.793040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.793040 (E_RNA) where: Base-Base interactions energy: -6.615 where: short stacking energy: -6.615 Base-Backbone interact. energy: -0.001 local terms energy: -17.177721 where: bonds (distance) C4'-P energy: -3.566 bonds (distance) P-C4' energy: -4.044 flat angles C4'-P-C4' energy: -4.422 flat angles P-C4'-P energy: -3.651 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: 8, replica: 2 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -20.047944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.047944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.047944 (E_RNA) where: Base-Base interactions energy: -4.032 where: short stacking energy: -4.032 Base-Backbone interact. energy: -0.193 local terms energy: -15.822850 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.027 flat angles P-C4'-P energy: -3.103 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: 9, replica: 9 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -23.686221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.686221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.686221 (E_RNA) where: Base-Base interactions energy: -5.335 where: short stacking energy: -5.335 Base-Backbone interact. energy: -0.000 local terms energy: -18.350914 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -4.631 flat angles C4'-P-C4' energy: -4.184 flat angles P-C4'-P energy: -2.657 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: 10, replica: 10 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -20.228708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.228708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.228708 (E_RNA) where: Base-Base interactions energy: -4.589 where: short stacking energy: -4.589 Base-Backbone interact. energy: -0.000 local terms energy: -15.639556 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -3.032 flat angles C4'-P-C4' energy: -1.533 flat angles P-C4'-P energy: -2.327 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: 1, replica: 3 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -24.991732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.991732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.991732 (E_RNA) where: Base-Base interactions energy: -8.271 where: short stacking energy: -8.271 Base-Backbone interact. energy: -0.054 local terms energy: -16.666881 where: bonds (distance) C4'-P energy: -3.479 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.589 flat angles P-C4'-P energy: -2.450 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: 2, replica: 8 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -24.888078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.888078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.888078 (E_RNA) where: Base-Base interactions energy: -7.846 where: short stacking energy: -7.846 Base-Backbone interact. energy: -0.051 local terms energy: -16.990551 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.111 flat angles P-C4'-P energy: -3.227 tors. eta vs tors. theta energy: -1.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -26.860651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.860651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.860651 (E_RNA) where: Base-Base interactions energy: -10.079 where: short stacking energy: -10.079 Base-Backbone interact. energy: -0.000 local terms energy: -16.781593 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -3.538 flat angles P-C4'-P energy: -2.857 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: 4, replica: 4 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -23.802648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.802648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.802648 (E_RNA) where: Base-Base interactions energy: -8.361 where: short stacking energy: -8.361 Base-Backbone interact. energy: -0.000 local terms energy: -15.441660 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -3.032 flat angles C4'-P-C4' energy: -4.384 flat angles P-C4'-P energy: -1.333 tors. eta vs tors. theta energy: -2.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -27.675969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.675969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.675969 (E_RNA) where: Base-Base interactions energy: -10.799 where: short stacking energy: -10.799 Base-Backbone interact. energy: -0.000 local terms energy: -16.876613 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -2.810 flat angles P-C4'-P energy: -2.037 tors. eta vs tors. theta energy: -2.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -22.486741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.486741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.486741 (E_RNA) where: Base-Base interactions energy: -6.903 where: short stacking energy: -6.903 Base-Backbone interact. energy: -0.000 local terms energy: -15.584026 where: bonds (distance) C4'-P energy: -3.161 bonds (distance) P-C4' energy: -4.392 flat angles C4'-P-C4' energy: -4.746 flat angles P-C4'-P energy: -1.354 tors. eta vs tors. theta energy: -1.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -24.732721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.732721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.732721 (E_RNA) where: Base-Base interactions energy: -3.973 where: short stacking energy: -3.973 Base-Backbone interact. energy: -0.000 local terms energy: -20.759987 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.509 flat angles P-C4'-P energy: -2.235 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: 8, replica: 9 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -21.806281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.806281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.806281 (E_RNA) where: Base-Base interactions energy: -5.738 where: short stacking energy: -5.738 Base-Backbone interact. energy: -0.000 local terms energy: -16.068304 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.568 flat angles P-C4'-P energy: -3.184 tors. eta vs tors. theta energy: -0.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -22.435458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.435458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.435458 (E_RNA) where: Base-Base interactions energy: -7.289 where: short stacking energy: -7.289 Base-Backbone interact. energy: -0.000 local terms energy: -15.146013 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -1.736 flat angles P-C4'-P energy: -2.426 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: 10, replica: 10 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -21.313782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.313782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.313782 (E_RNA) where: Base-Base interactions energy: -7.202 where: short stacking energy: -7.202 Base-Backbone interact. energy: -0.028 local terms energy: -14.083583 where: bonds (distance) C4'-P energy: -2.743 bonds (distance) P-C4' energy: -4.413 flat angles C4'-P-C4' energy: -4.246 flat angles P-C4'-P energy: -1.612 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: 130 Temperature: 0.900000 Total energy: -31.784528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.784528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.784528 (E_RNA) where: Base-Base interactions energy: -12.702 where: short stacking energy: -12.753 Base-Backbone interact. energy: -0.003 local terms energy: -19.079235 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.819 flat angles P-C4'-P energy: -2.956 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: 2, replica: 3 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -25.866723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.866723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.866723 (E_RNA) where: Base-Base interactions energy: -7.924 where: short stacking energy: -7.924 Base-Backbone interact. energy: -0.086 local terms energy: -17.857449 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.297 flat angles P-C4'-P energy: -3.020 tors. eta vs tors. theta energy: -2.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -23.583520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.583520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.583520 (E_RNA) where: Base-Base interactions energy: -4.499 where: short stacking energy: -4.499 Base-Backbone interact. energy: -0.000 local terms energy: -19.084366 where: bonds (distance) C4'-P energy: -3.036 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.903 flat angles P-C4'-P energy: -3.433 tors. eta vs tors. theta energy: -3.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -22.990649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.990649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.990649 (E_RNA) where: Base-Base interactions energy: -6.356 where: short stacking energy: -6.356 Base-Backbone interact. energy: -0.002 local terms energy: -16.632004 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -4.698 flat angles P-C4'-P energy: -3.339 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: 7 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -24.585256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.585256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.585256 (E_RNA) where: Base-Base interactions energy: -6.829 where: short stacking energy: -6.829 Base-Backbone interact. energy: -0.000 local terms energy: -17.756513 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.152 flat angles C4'-P-C4' energy: -3.786 flat angles P-C4'-P energy: -2.572 tors. eta vs tors. theta energy: -3.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -23.277007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.277007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.277007 (E_RNA) where: Base-Base interactions energy: -7.502 where: short stacking energy: -7.502 Base-Backbone interact. energy: -0.000 local terms energy: -15.775088 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.574 flat angles P-C4'-P energy: -0.625 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: 7, replica: 9 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -22.271654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.271654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.271654 (E_RNA) where: Base-Base interactions energy: -7.408 where: short stacking energy: -7.408 Base-Backbone interact. energy: -0.063 local terms energy: -14.801247 where: bonds (distance) C4'-P energy: -2.404 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.724 flat angles P-C4'-P energy: -3.567 tors. eta vs tors. theta energy: -0.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -21.416521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.416521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.416521 (E_RNA) where: Base-Base interactions energy: -4.229 where: short stacking energy: -4.229 Base-Backbone interact. energy: -0.085 local terms energy: -17.102194 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.264 flat angles P-C4'-P energy: -3.595 tors. eta vs tors. theta energy: -1.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -21.629663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.629663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.629663 (E_RNA) where: Base-Base interactions energy: -4.109 where: short stacking energy: -4.109 Base-Backbone interact. energy: -0.000 local terms energy: -17.521026 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.169 flat angles P-C4'-P energy: -3.314 tors. eta vs tors. theta energy: -1.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -21.906970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.906970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.906970 (E_RNA) where: Base-Base interactions energy: -8.435 where: short stacking energy: -8.435 Base-Backbone interact. energy: -0.043 local terms energy: -13.429137 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -1.778 flat angles P-C4'-P energy: -3.025 tors. eta vs tors. theta energy: -0.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -26.656906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.656906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.656906 (E_RNA) where: Base-Base interactions energy: -9.942 where: short stacking energy: -9.994 Base-Backbone interact. energy: -0.051 local terms energy: -16.663176 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -4.544 flat angles P-C4'-P energy: -2.661 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: 3 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -22.816239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.816239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.816239 (E_RNA) where: Base-Base interactions energy: -6.392 where: short stacking energy: -6.392 Base-Backbone interact. energy: -0.107 local terms energy: -16.317240 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -4.693 flat angles P-C4'-P energy: -3.551 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: 3, replica: 4 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -25.364295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.364295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.364295 (E_RNA) where: Base-Base interactions energy: -7.866 where: short stacking energy: -7.866 Base-Backbone interact. energy: -0.000 local terms energy: -17.498149 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.266 flat angles P-C4'-P energy: -3.759 tors. eta vs tors. theta energy: -1.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -22.204881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.204881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.204881 (E_RNA) where: Base-Base interactions energy: -4.774 where: short stacking energy: -3.640 Base-Backbone interact. energy: -0.013 local terms energy: -17.418564 where: bonds (distance) C4'-P energy: -3.322 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.883 flat angles P-C4'-P energy: -3.624 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: 1 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -27.864293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.864293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.864293 (E_RNA) where: Base-Base interactions energy: -7.443 where: short stacking energy: -7.443 Base-Backbone interact. energy: -0.000 local terms energy: -20.421086 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -4.221 flat angles P-C4'-P energy: -3.939 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: 6, replica: 6 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -21.861296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.861296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.861296 (E_RNA) where: Base-Base interactions energy: -6.475 where: short stacking energy: -6.475 Base-Backbone interact. energy: -0.000 local terms energy: -15.385632 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -4.049 flat angles P-C4'-P energy: -1.774 tors. eta vs tors. theta energy: -0.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -24.292940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.292940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.292940 (E_RNA) where: Base-Base interactions energy: -6.568 where: short stacking energy: -6.568 Base-Backbone interact. energy: -0.011 local terms energy: -17.714308 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.919 flat angles C4'-P-C4' energy: -4.485 flat angles P-C4'-P energy: -3.016 tors. eta vs tors. theta energy: -1.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -21.920981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.920981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.920981 (E_RNA) where: Base-Base interactions energy: -4.355 where: short stacking energy: -4.355 Base-Backbone interact. energy: -0.000 local terms energy: -17.565598 where: bonds (distance) C4'-P energy: -2.797 bonds (distance) P-C4' energy: -4.367 flat angles C4'-P-C4' energy: -4.555 flat angles P-C4'-P energy: -2.731 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: 9, replica: 5 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -21.489882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.489882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.489882 (E_RNA) where: Base-Base interactions energy: -7.173 where: short stacking energy: -7.173 Base-Backbone interact. energy: -0.000 local terms energy: -14.316893 where: bonds (distance) C4'-P energy: -3.673 bonds (distance) P-C4' energy: -3.948 flat angles C4'-P-C4' energy: -4.138 flat angles P-C4'-P energy: -1.967 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: 10, replica: 2 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -21.352351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.352351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.352351 (E_RNA) where: Base-Base interactions energy: -3.556 where: short stacking energy: -3.556 Base-Backbone interact. energy: -0.000 local terms energy: -17.795952 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -4.839 flat angles C4'-P-C4' energy: -3.465 flat angles P-C4'-P energy: -3.325 tors. eta vs tors. theta energy: -1.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -30.872542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.872542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.872542 (E_RNA) where: Base-Base interactions energy: -12.394 where: short stacking energy: -12.394 Base-Backbone interact. energy: -0.000 local terms energy: -18.478158 where: bonds (distance) C4'-P energy: -3.673 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -4.731 flat angles P-C4'-P energy: -2.569 tors. eta vs tors. theta energy: -2.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -25.875190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.875190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.875190 (E_RNA) where: Base-Base interactions energy: -7.552 where: short stacking energy: -7.552 Base-Backbone interact. energy: -0.002 local terms energy: -18.321319 where: bonds (distance) C4'-P energy: -3.277 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.580 flat angles P-C4'-P energy: -3.646 tors. eta vs tors. theta energy: -1.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -28.647668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.647668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.647668 (E_RNA) where: Base-Base interactions energy: -10.802 where: short stacking energy: -10.802 Base-Backbone interact. energy: -0.015 local terms energy: -17.831248 where: bonds (distance) C4'-P energy: -3.140 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.484 flat angles P-C4'-P energy: -2.221 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: 4, replica: 4 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -22.090386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.090386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.090386 (E_RNA) where: Base-Base interactions energy: -3.656 where: short stacking energy: -3.656 Base-Backbone interact. energy: -0.000 local terms energy: -18.433728 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.784 flat angles P-C4'-P energy: -3.651 tors. eta vs tors. theta energy: -1.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -25.969568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.969568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.969568 (E_RNA) where: Base-Base interactions energy: -7.256 where: short stacking energy: -7.256 Base-Backbone interact. energy: -0.000 local terms energy: -18.713021 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -4.051 flat angles C4'-P-C4' energy: -4.716 flat angles P-C4'-P energy: -3.746 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: 1 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -22.505613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.505613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.505613 (E_RNA) where: Base-Base interactions energy: -5.915 where: short stacking energy: -5.915 Base-Backbone interact. energy: -0.000 local terms energy: -16.590742 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.533 flat angles P-C4'-P energy: -2.756 tors. eta vs tors. theta energy: -1.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -22.713563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.713563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.713563 (E_RNA) where: Base-Base interactions energy: -6.850 where: short stacking energy: -6.850 Base-Backbone interact. energy: -0.000 local terms energy: -15.863441 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.156 flat angles P-C4'-P energy: -2.607 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: 8, replica: 9 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -22.940778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.940778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.940778 (E_RNA) where: Base-Base interactions energy: -4.915 where: short stacking energy: -4.915 Base-Backbone interact. energy: -0.000 local terms energy: -18.025661 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.540 flat angles P-C4'-P energy: -3.188 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: 2 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -24.947451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.947451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.947451 (E_RNA) where: Base-Base interactions energy: -7.498 where: short stacking energy: -7.498 Base-Backbone interact. energy: -0.000 local terms energy: -17.449431 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -3.761 flat angles P-C4'-P energy: -3.509 tors. eta vs tors. theta energy: -0.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -22.146593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.146593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.146593 (E_RNA) where: Base-Base interactions energy: -4.515 where: short stacking energy: -4.515 Base-Backbone interact. energy: -0.001 local terms energy: -17.630260 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.412 flat angles P-C4'-P energy: -3.262 tors. eta vs tors. theta energy: -1.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -32.423216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.423216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.423216 (E_RNA) where: Base-Base interactions energy: -12.296 where: short stacking energy: -12.296 Base-Backbone interact. energy: -0.008 local terms energy: -20.118911 where: bonds (distance) C4'-P energy: -4.039 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.256 flat angles P-C4'-P energy: -3.440 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: 133 Temperature: 0.950000 Total energy: -26.699820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.699820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.699820 (E_RNA) where: Base-Base interactions energy: -7.929 where: short stacking energy: -7.929 Base-Backbone interact. energy: -0.000 local terms energy: -18.770426 where: bonds (distance) C4'-P energy: -3.442 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.894 flat angles P-C4'-P energy: -2.934 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: 3, replica: 8 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -30.462434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.462434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.462434 (E_RNA) where: Base-Base interactions energy: -11.408 where: short stacking energy: -11.408 Base-Backbone interact. energy: -0.000 local terms energy: -19.054755 where: bonds (distance) C4'-P energy: -2.680 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.555 flat angles P-C4'-P energy: -2.344 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: 6 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -25.974598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.974598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.974598 (E_RNA) where: Base-Base interactions energy: -7.769 where: short stacking energy: -7.769 Base-Backbone interact. energy: -0.000 local terms energy: -18.205147 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -3.790 flat angles C4'-P-C4' energy: -4.082 flat angles P-C4'-P energy: -3.369 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: 5, replica: 4 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -24.732043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.732043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.732043 (E_RNA) where: Base-Base interactions energy: -6.276 where: short stacking energy: -6.276 Base-Backbone interact. energy: -0.288 local terms energy: -18.168006 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.350 flat angles P-C4'-P energy: -2.935 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: 6, replica: 10 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -23.903114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.903114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.903114 (E_RNA) where: Base-Base interactions energy: -4.254 where: short stacking energy: -4.254 Base-Backbone interact. energy: -0.011 local terms energy: -19.638756 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.712 flat angles P-C4'-P energy: -3.204 tors. eta vs tors. theta energy: -2.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -21.122351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.122351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.122351 (E_RNA) where: Base-Base interactions energy: -6.421 where: short stacking energy: -6.421 Base-Backbone interact. energy: -0.003 local terms energy: -14.698258 where: bonds (distance) C4'-P energy: -2.896 bonds (distance) P-C4' energy: -3.407 flat angles C4'-P-C4' energy: -4.045 flat angles P-C4'-P energy: -2.825 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: 8, replica: 2 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -22.538352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.538352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.538352 (E_RNA) where: Base-Base interactions energy: -4.999 where: short stacking energy: -4.999 Base-Backbone interact. energy: -0.000 local terms energy: -17.539034 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.432 flat angles P-C4'-P energy: -3.346 tors. eta vs tors. theta energy: -0.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -20.185920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.185920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.185920 (E_RNA) where: Base-Base interactions energy: -3.489 where: short stacking energy: -3.489 Base-Backbone interact. energy: -0.005 local terms energy: -16.692075 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.107 flat angles P-C4'-P energy: -3.081 tors. eta vs tors. theta energy: -1.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -21.180472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.180472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.180472 (E_RNA) where: Base-Base interactions energy: -7.242 where: short stacking energy: -7.242 Base-Backbone interact. energy: -0.010 local terms energy: -13.928014 where: bonds (distance) C4'-P energy: -3.202 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.832 flat angles P-C4'-P energy: -1.044 tors. eta vs tors. theta energy: -1.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -25.258046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.258046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.258046 (E_RNA) where: Base-Base interactions energy: -6.820 where: short stacking energy: -6.820 Base-Backbone interact. energy: -0.000 local terms energy: -18.437490 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.377 flat angles P-C4'-P energy: -3.873 tors. eta vs tors. theta energy: -1.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -29.112350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.112350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.112350 (E_RNA) where: Base-Base interactions energy: -10.089 where: short stacking energy: -10.089 Base-Backbone interact. energy: -0.000 local terms energy: -19.023667 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.839 flat angles C4'-P-C4' energy: -2.953 flat angles P-C4'-P energy: -1.186 tors. eta vs tors. theta energy: -5.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -27.940974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.940974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.940974 (E_RNA) where: Base-Base interactions energy: -10.430 where: short stacking energy: -10.430 Base-Backbone interact. energy: -0.000 local terms energy: -17.510699 where: bonds (distance) C4'-P energy: -3.861 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.449 flat angles P-C4'-P energy: -2.640 tors. eta vs tors. theta energy: -2.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -27.550043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.550043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.550043 (E_RNA) where: Base-Base interactions energy: -10.217 where: short stacking energy: -10.217 Base-Backbone interact. energy: -0.000 local terms energy: -17.332634 where: bonds (distance) C4'-P energy: -3.301 bonds (distance) P-C4' energy: -3.134 flat angles C4'-P-C4' energy: -4.022 flat angles P-C4'-P energy: -2.915 tors. eta vs tors. theta energy: -3.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -22.109722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.109722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.109722 (E_RNA) where: Base-Base interactions energy: -4.984 where: short stacking energy: -4.984 Base-Backbone interact. energy: -0.000 local terms energy: -17.125551 where: bonds (distance) C4'-P energy: -1.852 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.786 flat angles P-C4'-P energy: -2.789 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: 6, replica: 4 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -24.902688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.902688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.902688 (E_RNA) where: Base-Base interactions energy: -7.545 where: short stacking energy: -7.545 Base-Backbone interact. energy: -0.000 local terms energy: -17.357388 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -2.914 flat angles P-C4'-P energy: -2.733 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: 2 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -22.364992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.364992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.364992 (E_RNA) where: Base-Base interactions energy: -7.312 where: short stacking energy: -7.312 Base-Backbone interact. energy: -0.007 local terms energy: -15.046614 where: bonds (distance) C4'-P energy: -3.053 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.963 flat angles P-C4'-P energy: -2.769 tors. eta vs tors. theta energy: 0.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -21.732259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.732259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.732259 (E_RNA) where: Base-Base interactions energy: -4.698 where: short stacking energy: -4.698 Base-Backbone interact. energy: -0.000 local terms energy: -17.033794 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.751 flat angles P-C4'-P energy: -2.256 tors. eta vs tors. theta energy: -0.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -22.354393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.354393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.354393 (E_RNA) where: Base-Base interactions energy: -6.618 where: short stacking energy: -6.618 Base-Backbone interact. energy: -0.005 local terms energy: -15.732125 where: bonds (distance) C4'-P energy: -1.873 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.095 flat angles P-C4'-P energy: -3.459 tors. eta vs tors. theta energy: -1.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -19.674701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.674701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.674701 (E_RNA) where: Base-Base interactions energy: -2.252 where: short stacking energy: -2.252 Base-Backbone interact. energy: -0.000 local terms energy: -17.422746 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -3.640 flat angles P-C4'-P energy: -2.347 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: 1, replica: 7 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -30.502421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.502421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.502421 (E_RNA) where: Base-Base interactions energy: -11.269 where: short stacking energy: -11.269 Base-Backbone interact. energy: -0.000 local terms energy: -19.233465 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -3.724 flat angles P-C4'-P energy: -2.967 tors. eta vs tors. theta energy: -4.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -26.181798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.181798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.181798 (E_RNA) where: Base-Base interactions energy: -6.720 where: short stacking energy: -7.496 Base-Backbone interact. energy: -0.454 local terms energy: -19.007880 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.379 flat angles P-C4'-P energy: -4.051 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: 3, replica: 8 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -27.282396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.282396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.282396 (E_RNA) where: Base-Base interactions energy: -10.260 where: short stacking energy: -10.260 Base-Backbone interact. energy: -0.000 local terms energy: -17.022701 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.494 flat angles C4'-P-C4' energy: -4.027 flat angles P-C4'-P energy: -2.168 tors. eta vs tors. theta energy: -2.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -21.792489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.792489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.792489 (E_RNA) where: Base-Base interactions energy: -7.985 where: short stacking energy: -7.985 Base-Backbone interact. energy: -0.037 local terms energy: -13.770419 where: bonds (distance) C4'-P energy: -3.406 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -2.515 flat angles P-C4'-P energy: -2.140 tors. eta vs tors. theta energy: -0.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -20.948111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.948111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.948111 (E_RNA) where: Base-Base interactions energy: -4.679 where: short stacking energy: -4.679 Base-Backbone interact. energy: -0.291 local terms energy: -15.978118 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.575 flat angles C4'-P-C4' energy: -3.810 flat angles P-C4'-P energy: -3.169 tors. eta vs tors. theta energy: -0.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -23.817985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.817985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.817985 (E_RNA) where: Base-Base interactions energy: -5.903 where: short stacking energy: -5.903 Base-Backbone interact. energy: -0.092 local terms energy: -17.823088 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.027 flat angles P-C4'-P energy: -3.778 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: 7, replica: 4 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -20.209151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.209151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.209151 (E_RNA) where: Base-Base interactions energy: -3.919 where: short stacking energy: -3.919 Base-Backbone interact. energy: -0.788 local terms energy: -15.502977 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.709 flat angles P-C4'-P energy: -3.258 tors. eta vs tors. theta energy: 0.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -24.761484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.761484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.761484 (E_RNA) where: Base-Base interactions energy: -7.295 where: short stacking energy: -7.295 Base-Backbone interact. energy: -0.014 local terms energy: -17.451887 where: bonds (distance) C4'-P energy: -3.708 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.516 flat angles P-C4'-P energy: -3.758 tors. eta vs tors. theta energy: -1.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -23.307228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.307228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.307228 (E_RNA) where: Base-Base interactions energy: -6.926 where: short stacking energy: -6.926 Base-Backbone interact. energy: -0.000 local terms energy: -16.381667 where: bonds (distance) C4'-P energy: -3.861 bonds (distance) P-C4' energy: -3.984 flat angles C4'-P-C4' energy: -3.836 flat angles P-C4'-P energy: -2.258 tors. eta vs tors. theta energy: -2.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -24.607972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.607972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.607972 (E_RNA) where: Base-Base interactions energy: -10.258 where: short stacking energy: -10.258 Base-Backbone interact. energy: -0.000 local terms energy: -14.349940 where: bonds (distance) C4'-P energy: -1.074 bonds (distance) P-C4' energy: -3.790 flat angles C4'-P-C4' energy: -4.409 flat angles P-C4'-P energy: -2.535 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: 1, replica: 3 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -24.789480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.789480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.789480 (E_RNA) where: Base-Base interactions energy: -9.597 where: short stacking energy: -9.597 Base-Backbone interact. energy: -0.000 local terms energy: -15.192831 where: bonds (distance) C4'-P energy: -3.264 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.061 flat angles P-C4'-P energy: -2.619 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: 2, replica: 7 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -28.082698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.082698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.082698 (E_RNA) where: Base-Base interactions energy: -9.962 where: short stacking energy: -9.962 Base-Backbone interact. energy: -0.000 local terms energy: -18.120840 where: bonds (distance) C4'-P energy: -3.161 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.449 flat angles P-C4'-P energy: -2.620 tors. eta vs tors. theta energy: -3.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -23.443679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.443679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.443679 (E_RNA) where: Base-Base interactions energy: -6.886 where: short stacking energy: -6.886 Base-Backbone interact. energy: -0.064 local terms energy: -16.493933 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -3.984 flat angles C4'-P-C4' energy: -3.566 flat angles P-C4'-P energy: -2.901 tors. eta vs tors. theta energy: -1.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -24.370949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.370949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.370949 (E_RNA) where: Base-Base interactions energy: -7.571 where: short stacking energy: -7.571 Base-Backbone interact. energy: -0.000 local terms energy: -16.799307 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.650 flat angles P-C4'-P energy: -2.269 tors. eta vs tors. theta energy: -1.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -25.169737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.169737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.169737 (E_RNA) where: Base-Base interactions energy: -7.633 where: short stacking energy: -7.633 Base-Backbone interact. energy: -0.000 local terms energy: -17.536698 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.017 flat angles P-C4'-P energy: -2.705 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: 6, replica: 6 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -24.293391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.293391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.293391 (E_RNA) where: Base-Base interactions energy: -7.374 where: short stacking energy: -7.374 Base-Backbone interact. energy: -0.358 local terms energy: -16.560958 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.629 flat angles P-C4'-P energy: -2.159 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: 7, replica: 5 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -23.869090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.869090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.869090 (E_RNA) where: Base-Base interactions energy: -7.929 where: short stacking energy: -7.929 Base-Backbone interact. energy: -0.000 local terms energy: -15.939714 where: bonds (distance) C4'-P energy: -3.070 bonds (distance) P-C4' energy: -3.544 flat angles C4'-P-C4' energy: -4.308 flat angles P-C4'-P energy: -3.240 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: 4 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -22.134876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.134876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.134876 (E_RNA) where: Base-Base interactions energy: -6.553 where: short stacking energy: -6.553 Base-Backbone interact. energy: -0.003 local terms energy: -15.578552 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -3.301 flat angles C4'-P-C4' energy: -4.254 flat angles P-C4'-P energy: -2.541 tors. eta vs tors. theta energy: -0.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -23.264373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.264373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.264373 (E_RNA) where: Base-Base interactions energy: -6.258 where: short stacking energy: -6.258 Base-Backbone interact. energy: -0.000 local terms energy: -17.006735 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.839 flat angles C4'-P-C4' energy: -4.346 flat angles P-C4'-P energy: -2.306 tors. eta vs tors. theta energy: -1.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -20.812312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.812312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.812312 (E_RNA) where: Base-Base interactions energy: -5.801 where: short stacking energy: -5.827 Base-Backbone interact. energy: -0.093 local terms energy: -14.919182 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -4.466 flat angles P-C4'-P energy: -2.607 tors. eta vs tors. theta energy: 0.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -27.750074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.750074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.750074 (E_RNA) where: Base-Base interactions energy: -6.485 where: short stacking energy: -6.485 Base-Backbone interact. energy: -0.000 local terms energy: -21.265181 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -4.305 flat angles P-C4'-P energy: -3.625 tors. eta vs tors. theta energy: -4.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -27.647934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.647934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.647934 (E_RNA) where: Base-Base interactions energy: -7.563 where: short stacking energy: -7.563 Base-Backbone interact. energy: -0.005 local terms energy: -20.079829 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.805 flat angles P-C4'-P energy: -2.857 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: 3, replica: 7 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -24.907058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.907058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.907058 (E_RNA) where: Base-Base interactions energy: -6.848 where: short stacking energy: -6.848 Base-Backbone interact. energy: -0.023 local terms energy: -18.036118 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -3.131 flat angles P-C4'-P energy: -3.569 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: 4, replica: 2 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -22.742825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.742825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.742825 (E_RNA) where: Base-Base interactions energy: -7.974 where: short stacking energy: -7.974 Base-Backbone interact. energy: -0.016 local terms energy: -14.753094 where: bonds (distance) C4'-P energy: -3.036 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -4.032 flat angles P-C4'-P energy: -3.582 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: 5, replica: 8 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -24.246121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.246121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.246121 (E_RNA) where: Base-Base interactions energy: -6.880 where: short stacking energy: -6.880 Base-Backbone interact. energy: -0.000 local terms energy: -17.366443 where: bonds (distance) C4'-P energy: -2.743 bonds (distance) P-C4' energy: -4.106 flat angles C4'-P-C4' energy: -4.099 flat angles P-C4'-P energy: -2.991 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: 6, replica: 5 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -22.551030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.551030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.551030 (E_RNA) where: Base-Base interactions energy: -6.441 where: short stacking energy: -6.441 Base-Backbone interact. energy: -0.100 local terms energy: -16.010188 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -4.413 flat angles C4'-P-C4' energy: -3.552 flat angles P-C4'-P energy: -2.434 tors. eta vs tors. theta energy: -1.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -25.498122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.498122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.498122 (E_RNA) where: Base-Base interactions energy: -8.024 where: short stacking energy: -8.024 Base-Backbone interact. energy: -0.000 local terms energy: -17.474060 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -4.569 flat angles C4'-P-C4' energy: -3.819 flat angles P-C4'-P energy: -3.205 tors. eta vs tors. theta energy: -2.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -20.812403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.812403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.812403 (E_RNA) where: Base-Base interactions energy: -6.347 where: short stacking energy: -6.347 Base-Backbone interact. energy: -0.033 local terms energy: -14.432374 where: bonds (distance) C4'-P energy: -2.146 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -2.961 flat angles P-C4'-P energy: -2.452 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: 9, replica: 4 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -20.254305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.254305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.254305 (E_RNA) where: Base-Base interactions energy: -5.492 where: short stacking energy: -5.492 Base-Backbone interact. energy: -0.044 local terms energy: -14.718101 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -4.575 flat angles C4'-P-C4' energy: -3.126 flat angles P-C4'-P energy: -2.663 tors. eta vs tors. theta energy: -0.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -23.672448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.672448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.672448 (E_RNA) where: Base-Base interactions energy: -9.796 where: short stacking energy: -9.796 Base-Backbone interact. energy: -0.000 local terms energy: -13.876467 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -3.811 flat angles C4'-P-C4' energy: -1.413 flat angles P-C4'-P energy: -3.123 tors. eta vs tors. theta energy: -1.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -31.238491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.238491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.238491 (E_RNA) where: Base-Base interactions energy: -11.388 where: short stacking energy: -11.388 Base-Backbone interact. energy: -0.000 local terms energy: -19.850212 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -3.723 flat angles C4'-P-C4' energy: -4.026 flat angles P-C4'-P energy: -3.355 tors. eta vs tors. theta energy: -4.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -28.931605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.931605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.931605 (E_RNA) where: Base-Base interactions energy: -11.772 where: short stacking energy: -11.772 Base-Backbone interact. energy: -0.006 local terms energy: -17.153113 where: bonds (distance) C4'-P energy: -3.889 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.042 flat angles P-C4'-P energy: -3.488 tors. eta vs tors. theta energy: -0.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -24.411726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.411726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.411726 (E_RNA) where: Base-Base interactions energy: -7.691 where: short stacking energy: -7.691 Base-Backbone interact. energy: -0.000 local terms energy: -16.720723 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.118 flat angles P-C4'-P energy: -1.942 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: 4, replica: 7 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -21.234627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.234627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.234627 (E_RNA) where: Base-Base interactions energy: -3.178 where: short stacking energy: -3.178 Base-Backbone interact. energy: -0.000 local terms energy: -18.056512 where: bonds (distance) C4'-P energy: -3.406 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -3.503 flat angles P-C4'-P energy: -3.468 tors. eta vs tors. theta energy: -2.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -24.316814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.316814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.316814 (E_RNA) where: Base-Base interactions energy: -5.204 where: short stacking energy: -5.204 Base-Backbone interact. energy: -0.000 local terms energy: -19.112477 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.464 flat angles P-C4'-P energy: -2.663 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: 6, replica: 5 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -23.962034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.962034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.962034 (E_RNA) where: Base-Base interactions energy: -6.260 where: short stacking energy: -6.260 Base-Backbone interact. energy: -0.008 local terms energy: -17.694621 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.350 flat angles P-C4'-P energy: -0.849 tors. eta vs tors. theta energy: -3.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -20.731127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.731127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.731127 (E_RNA) where: Base-Base interactions energy: -3.240 where: short stacking energy: -3.240 Base-Backbone interact. energy: -0.000 local terms energy: -17.490662 where: bonds (distance) C4'-P energy: -3.140 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.133 flat angles P-C4'-P energy: -2.853 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: 6 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -22.872562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.872562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.872562 (E_RNA) where: Base-Base interactions energy: -7.241 where: short stacking energy: -7.241 Base-Backbone interact. energy: -0.000 local terms energy: -15.631121 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -2.724 flat angles P-C4'-P energy: -1.129 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: 9, replica: 1 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -23.951791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.951791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.951791 (E_RNA) where: Base-Base interactions energy: -5.603 where: short stacking energy: -5.603 Base-Backbone interact. energy: -0.000 local terms energy: -18.349271 where: bonds (distance) C4'-P energy: -2.867 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.622 flat angles P-C4'-P energy: -3.212 tors. eta vs tors. theta energy: -3.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -23.589324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.589324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.589324 (E_RNA) where: Base-Base interactions energy: -7.490 where: short stacking energy: -7.490 Base-Backbone interact. energy: -0.087 local terms energy: -16.012058 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.890 flat angles P-C4'-P energy: -2.307 tors. eta vs tors. theta energy: -0.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -31.456624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.456624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.456624 (E_RNA) where: Base-Base interactions energy: -12.823 where: short stacking energy: -12.823 Base-Backbone interact. energy: -0.097 local terms energy: -18.536518 where: bonds (distance) C4'-P energy: -3.683 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.182 flat angles P-C4'-P energy: -3.056 tors. eta vs tors. theta energy: -2.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -27.610151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.610151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.610151 (E_RNA) where: Base-Base interactions energy: -11.205 where: short stacking energy: -11.205 Base-Backbone interact. energy: -0.000 local terms energy: -16.404715 where: bonds (distance) C4'-P energy: -4.742 bonds (distance) P-C4' energy: -3.103 flat angles C4'-P-C4' energy: -3.027 flat angles P-C4'-P energy: -2.488 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: 3, replica: 3 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -25.501992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.501992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.501992 (E_RNA) where: Base-Base interactions energy: -8.752 where: short stacking energy: -8.752 Base-Backbone interact. energy: 0.827 local terms energy: -17.577058 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -2.403 flat angles P-C4'-P energy: -3.587 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: 4, replica: 8 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -27.862578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.862578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.862578 (E_RNA) where: Base-Base interactions energy: -9.871 where: short stacking energy: -9.871 Base-Backbone interact. energy: -0.026 local terms energy: -17.965956 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -3.814 flat angles P-C4'-P energy: -2.763 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: 7 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -23.718228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.718228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.718228 (E_RNA) where: Base-Base interactions energy: -6.445 where: short stacking energy: -6.445 Base-Backbone interact. energy: -0.000 local terms energy: -17.273465 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.883 flat angles P-C4'-P energy: -3.776 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: 9 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -25.588427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.588427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.588427 (E_RNA) where: Base-Base interactions energy: -7.400 where: short stacking energy: -7.400 Base-Backbone interact. energy: -0.000 local terms energy: -18.188118 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.819 flat angles P-C4'-P energy: -2.092 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: 7, replica: 5 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -23.373266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.373266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.373266 (E_RNA) where: Base-Base interactions energy: -7.173 where: short stacking energy: -7.173 Base-Backbone interact. energy: -0.000 local terms energy: -16.199852 where: bonds (distance) C4'-P energy: -3.309 bonds (distance) P-C4' energy: -3.885 flat angles C4'-P-C4' energy: -3.387 flat angles P-C4'-P energy: -2.116 tors. eta vs tors. theta energy: -3.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -22.275076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.275076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.275076 (E_RNA) where: Base-Base interactions energy: -7.666 where: short stacking energy: -7.666 Base-Backbone interact. energy: -0.000 local terms energy: -14.608575 where: bonds (distance) C4'-P energy: -3.487 bonds (distance) P-C4' energy: -3.518 flat angles C4'-P-C4' energy: -2.955 flat angles P-C4'-P energy: -2.576 tors. eta vs tors. theta energy: -2.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -19.606250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.606250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.606250 (E_RNA) where: Base-Base interactions energy: -4.293 where: short stacking energy: -4.293 Base-Backbone interact. energy: -0.022 local terms energy: -15.291077 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -4.631 flat angles C4'-P-C4' energy: -4.157 flat angles P-C4'-P energy: -0.865 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: 10, replica: 4 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -22.067863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.067863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.067863 (E_RNA) where: Base-Base interactions energy: -7.153 where: short stacking energy: -7.153 Base-Backbone interact. energy: -0.000 local terms energy: -14.914979 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -2.143 flat angles P-C4'-P energy: -1.447 tors. eta vs tors. theta energy: -2.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -29.437489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.437489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.437489 (E_RNA) where: Base-Base interactions energy: -11.049 where: short stacking energy: -11.049 Base-Backbone interact. energy: -0.001 local terms energy: -18.388020 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -3.398 flat angles C4'-P-C4' energy: -4.303 flat angles P-C4'-P energy: -3.192 tors. eta vs tors. theta energy: -3.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -27.363565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.363565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.363565 (E_RNA) where: Base-Base interactions energy: -11.527 where: short stacking energy: -11.527 Base-Backbone interact. energy: -0.000 local terms energy: -15.836914 where: bonds (distance) C4'-P energy: -4.270 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.444 flat angles P-C4'-P energy: -1.993 tors. eta vs tors. theta energy: -1.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -22.887080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.887080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.887080 (E_RNA) where: Base-Base interactions energy: -6.278 where: short stacking energy: -6.278 Base-Backbone interact. energy: -0.053 local terms energy: -16.556091 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -3.304 flat angles C4'-P-C4' energy: -4.447 flat angles P-C4'-P energy: -3.325 tors. eta vs tors. theta energy: -1.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -22.967589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.967589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.967589 (E_RNA) where: Base-Base interactions energy: -3.724 where: short stacking energy: -3.724 Base-Backbone interact. energy: -0.000 local terms energy: -19.243562 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.398 flat angles P-C4'-P energy: -4.042 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: 9 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -27.818081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.818081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.818081 (E_RNA) where: Base-Base interactions energy: -8.337 where: short stacking energy: -8.337 Base-Backbone interact. energy: -0.000 local terms energy: -19.480968 where: bonds (distance) C4'-P energy: -3.194 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.170 flat angles P-C4'-P energy: -3.503 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: 6, replica: 7 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -27.095578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.095578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.095578 (E_RNA) where: Base-Base interactions energy: -9.708 where: short stacking energy: -9.708 Base-Backbone interact. energy: -0.010 local terms energy: -17.378163 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -3.722 flat angles P-C4'-P energy: -2.754 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: 7, replica: 1 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -21.461040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.461040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.461040 (E_RNA) where: Base-Base interactions energy: -4.249 where: short stacking energy: -4.249 Base-Backbone interact. energy: -0.000 local terms energy: -17.211391 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -2.016 flat angles P-C4'-P energy: -4.120 tors. eta vs tors. theta energy: -2.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -22.535671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.535671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.535671 (E_RNA) where: Base-Base interactions energy: -3.696 where: short stacking energy: -3.700 Base-Backbone interact. energy: -0.012 local terms energy: -18.827594 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.370 flat angles C4'-P-C4' energy: -4.326 flat angles P-C4'-P energy: -3.490 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: 9, replica: 4 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -23.495931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.495931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.495931 (E_RNA) where: Base-Base interactions energy: -6.271 where: short stacking energy: -6.271 Base-Backbone interact. energy: -0.003 local terms energy: -17.221335 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -2.798 flat angles P-C4'-P energy: -3.519 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: 10, replica: 6 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -22.967238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.967238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.967238 (E_RNA) where: Base-Base interactions energy: -7.615 where: short stacking energy: -7.800 Base-Backbone interact. energy: 1.233 local terms energy: -16.585507 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -4.343 flat angles C4'-P-C4' energy: -4.500 flat angles P-C4'-P energy: -1.393 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: 1, replica: 2 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -25.515471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.515471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.515471 (E_RNA) where: Base-Base interactions energy: -10.641 where: short stacking energy: -10.641 Base-Backbone interact. energy: -0.020 local terms energy: -14.854197 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -2.129 flat angles P-C4'-P energy: -0.873 tors. eta vs tors. theta energy: -3.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -25.963143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.963143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.963143 (E_RNA) where: Base-Base interactions energy: -7.551 where: short stacking energy: -7.551 Base-Backbone interact. energy: -0.046 local terms energy: -18.366074 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -3.919 flat angles P-C4'-P energy: -3.576 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: 3, replica: 10 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -24.502000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.502000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.502000 (E_RNA) where: Base-Base interactions energy: -8.167 where: short stacking energy: -8.167 Base-Backbone interact. energy: -0.000 local terms energy: -16.334511 where: bonds (distance) C4'-P energy: -2.237 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.711 flat angles P-C4'-P energy: -3.108 tors. eta vs tors. theta energy: -2.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -26.651710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.651710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.651710 (E_RNA) where: Base-Base interactions energy: -10.692 where: short stacking energy: -10.692 Base-Backbone interact. energy: -0.000 local terms energy: -15.960020 where: bonds (distance) C4'-P energy: -3.185 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.760 flat angles P-C4'-P energy: -1.743 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: 5, replica: 9 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -27.442097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.442097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.442097 (E_RNA) where: Base-Base interactions energy: -7.140 where: short stacking energy: -7.140 Base-Backbone interact. energy: -0.000 local terms energy: -20.302058 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -3.560 flat angles C4'-P-C4' energy: -4.452 flat angles P-C4'-P energy: -3.710 tors. eta vs tors. theta energy: -4.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -22.566453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.566453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.566453 (E_RNA) where: Base-Base interactions energy: -6.374 where: short stacking energy: -6.374 Base-Backbone interact. energy: -0.001 local terms energy: -16.191145 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -2.044 flat angles P-C4'-P energy: -2.618 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: 7, replica: 7 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -23.385042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.385042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.385042 (E_RNA) where: Base-Base interactions energy: -6.365 where: short stacking energy: -6.365 Base-Backbone interact. energy: -0.069 local terms energy: -16.951214 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -3.518 flat angles C4'-P-C4' energy: -4.661 flat angles P-C4'-P energy: -3.064 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: 8, replica: 5 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -20.464449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.464449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.464449 (E_RNA) where: Base-Base interactions energy: -3.077 where: short stacking energy: -3.077 Base-Backbone interact. energy: -0.000 local terms energy: -17.387419 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -3.928 flat angles P-C4'-P energy: -2.584 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: 9, replica: 4 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -19.885573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.885573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.885573 (E_RNA) where: Base-Base interactions energy: -3.189 where: short stacking energy: -3.189 Base-Backbone interact. energy: -0.000 local terms energy: -16.696907 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -1.847 flat angles P-C4'-P energy: -3.652 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: 6 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -19.340903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.340903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.340903 (E_RNA) where: Base-Base interactions energy: -3.479 where: short stacking energy: -3.479 Base-Backbone interact. energy: -0.085 local terms energy: -15.776770 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.614 flat angles P-C4'-P energy: -3.522 tors. eta vs tors. theta energy: 1.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -28.556497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.556497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.556497 (E_RNA) where: Base-Base interactions energy: -10.805 where: short stacking energy: -10.805 Base-Backbone interact. energy: -0.002 local terms energy: -17.750077 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.086 flat angles P-C4'-P energy: -3.050 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: 2, replica: 2 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -26.829349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.829349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.829349 (E_RNA) where: Base-Base interactions energy: -8.355 where: short stacking energy: -8.355 Base-Backbone interact. energy: -0.011 local terms energy: -18.464191 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.632 flat angles P-C4'-P energy: -2.599 tors. eta vs tors. theta energy: -1.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -25.836794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.836794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.836794 (E_RNA) where: Base-Base interactions energy: -7.968 where: short stacking energy: -7.968 Base-Backbone interact. energy: -0.001 local terms energy: -17.867979 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.642 flat angles P-C4'-P energy: -2.615 tors. eta vs tors. theta energy: -1.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -23.189811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.189811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.189811 (E_RNA) where: Base-Base interactions energy: -7.727 where: short stacking energy: -7.727 Base-Backbone interact. energy: -0.002 local terms energy: -15.461104 where: bonds (distance) C4'-P energy: -3.326 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.628 flat angles P-C4'-P energy: -2.238 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: 5, replica: 1 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -25.523847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.523847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.523847 (E_RNA) where: Base-Base interactions energy: -7.574 where: short stacking energy: -7.574 Base-Backbone interact. energy: -0.028 local terms energy: -17.921746 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -2.984 flat angles P-C4'-P energy: -1.884 tors. eta vs tors. theta energy: -3.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -23.389470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.389470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.389470 (E_RNA) where: Base-Base interactions energy: -7.265 where: short stacking energy: -7.265 Base-Backbone interact. energy: -0.037 local terms energy: -16.087808 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -4.209 flat angles C4'-P-C4' energy: -3.184 flat angles P-C4'-P energy: -3.624 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: 7, replica: 5 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -25.474310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.474310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.474310 (E_RNA) where: Base-Base interactions energy: -7.104 where: short stacking energy: -7.104 Base-Backbone interact. energy: -0.000 local terms energy: -18.370758 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -2.482 flat angles P-C4'-P energy: -1.860 tors. eta vs tors. theta energy: -5.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -20.447168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.447168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.447168 (E_RNA) where: Base-Base interactions energy: -4.957 where: short stacking energy: -4.957 Base-Backbone interact. energy: -0.448 local terms energy: -15.042023 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -3.564 flat angles P-C4'-P energy: -2.221 tors. eta vs tors. theta energy: -0.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -21.428040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.428040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.428040 (E_RNA) where: Base-Base interactions energy: -5.421 where: short stacking energy: -5.421 Base-Backbone interact. energy: -0.001 local terms energy: -16.006008 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.382 flat angles C4'-P-C4' energy: -3.459 flat angles P-C4'-P energy: -3.108 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: 10, replica: 6 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -20.782096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.782096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.782096 (E_RNA) where: Base-Base interactions energy: -2.993 where: short stacking energy: -2.993 Base-Backbone interact. energy: -0.000 local terms energy: -17.789407 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.018 flat angles P-C4'-P energy: -1.726 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: 1, replica: 8 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -28.092498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.092498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.092498 (E_RNA) where: Base-Base interactions energy: -10.547 where: short stacking energy: -10.547 Base-Backbone interact. energy: -0.000 local terms energy: -17.545171 where: bonds (distance) C4'-P energy: -4.039 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -2.987 flat angles P-C4'-P energy: -3.404 tors. eta vs tors. theta energy: -2.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -28.155015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.155015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.155015 (E_RNA) where: Base-Base interactions energy: -8.796 where: short stacking energy: -8.796 Base-Backbone interact. energy: -0.007 local terms energy: -19.351716 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.255 flat angles P-C4'-P energy: -3.190 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: 3, replica: 2 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -25.886585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.886585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.886585 (E_RNA) where: Base-Base interactions energy: -10.934 where: short stacking energy: -10.934 Base-Backbone interact. energy: -0.000 local terms energy: -14.952895 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -3.781 flat angles C4'-P-C4' energy: -2.726 flat angles P-C4'-P energy: -3.409 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: 4, replica: 1 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -21.635390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.635390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.635390 (E_RNA) where: Base-Base interactions energy: -3.978 where: short stacking energy: -3.978 Base-Backbone interact. energy: -0.131 local terms energy: -17.525987 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -3.993 flat angles P-C4'-P energy: -4.070 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: 5, replica: 10 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -21.952853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.952853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.952853 (E_RNA) where: Base-Base interactions energy: -7.199 where: short stacking energy: -7.199 Base-Backbone interact. energy: -0.000 local terms energy: -14.753915 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.182 flat angles P-C4'-P energy: -1.065 tors. eta vs tors. theta energy: -0.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -23.396103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.396103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.396103 (E_RNA) where: Base-Base interactions energy: -5.589 where: short stacking energy: -5.589 Base-Backbone interact. energy: -0.000 local terms energy: -17.807488 where: bonds (distance) C4'-P energy: -2.975 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.043 flat angles P-C4'-P energy: -2.574 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: 7, replica: 9 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -22.072016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.072016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.072016 (E_RNA) where: Base-Base interactions energy: -7.111 where: short stacking energy: -7.111 Base-Backbone interact. energy: -0.001 local terms energy: -14.960384 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -3.360 flat angles C4'-P-C4' energy: -4.484 flat angles P-C4'-P energy: -2.910 tors. eta vs tors. theta energy: -0.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -24.786770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.786770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.786770 (E_RNA) where: Base-Base interactions energy: -7.866 where: short stacking energy: -7.866 Base-Backbone interact. energy: -0.001 local terms energy: -16.919823 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -2.810 flat angles C4'-P-C4' energy: -4.148 flat angles P-C4'-P energy: -3.662 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: 9, replica: 4 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -20.215127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.215127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.215127 (E_RNA) where: Base-Base interactions energy: -3.532 where: short stacking energy: -3.532 Base-Backbone interact. energy: -0.090 local terms energy: -16.593247 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -4.206 flat angles P-C4'-P energy: -1.713 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: 10, replica: 6 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -21.203077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.203077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.203077 (E_RNA) where: Base-Base interactions energy: -3.655 where: short stacking energy: -3.655 Base-Backbone interact. energy: -0.000 local terms energy: -17.547875 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -2.895 flat angles C4'-P-C4' energy: -4.519 flat angles P-C4'-P energy: -2.972 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: 8 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -31.406895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.406895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.406895 (E_RNA) where: Base-Base interactions energy: -12.109 where: short stacking energy: -12.674 Base-Backbone interact. energy: -0.001 local terms energy: -19.296495 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.082 flat angles P-C4'-P energy: -3.001 tors. eta vs tors. theta energy: -2.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -27.293050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.293050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.293050 (E_RNA) where: Base-Base interactions energy: -10.759 where: short stacking energy: -10.759 Base-Backbone interact. energy: -0.000 local terms energy: -16.534357 where: bonds (distance) C4'-P energy: -3.036 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -1.975 flat angles P-C4'-P energy: -2.858 tors. eta vs tors. theta energy: -4.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -26.805024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.805024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.805024 (E_RNA) where: Base-Base interactions energy: -8.209 where: short stacking energy: -8.209 Base-Backbone interact. energy: -0.000 local terms energy: -18.595628 where: bonds (distance) C4'-P energy: -2.614 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.163 flat angles P-C4'-P energy: -3.441 tors. eta vs tors. theta energy: -3.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -22.572196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.572196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.572196 (E_RNA) where: Base-Base interactions energy: -6.428 where: short stacking energy: -6.428 Base-Backbone interact. energy: -0.000 local terms energy: -16.143853 where: bonds (distance) C4'-P energy: -2.299 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.201 flat angles P-C4'-P energy: -2.553 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: 5, replica: 5 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -22.044211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.044211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.044211 (E_RNA) where: Base-Base interactions energy: -6.875 where: short stacking energy: -6.875 Base-Backbone interact. energy: -0.000 local terms energy: -15.168962 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -2.846 flat angles P-C4'-P energy: -3.636 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: 6, replica: 10 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -20.076612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.076612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.076612 (E_RNA) where: Base-Base interactions energy: -4.961 where: short stacking energy: -4.961 Base-Backbone interact. energy: -0.000 local terms energy: -15.115331 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.867 flat angles C4'-P-C4' energy: -4.157 flat angles P-C4'-P energy: -1.054 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: 144 Temperature: 1.200000 Total energy: -25.644719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.644719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.644719 (E_RNA) where: Base-Base interactions energy: -6.914 where: short stacking energy: -6.914 Base-Backbone interact. energy: -0.000 local terms energy: -18.730305 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.962 flat angles P-C4'-P energy: -1.887 tors. eta vs tors. theta energy: -3.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -20.101653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.101653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.101653 (E_RNA) where: Base-Base interactions energy: -4.976 where: short stacking energy: -4.976 Base-Backbone interact. energy: -0.000 local terms energy: -15.124955 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.676 flat angles P-C4'-P energy: -1.419 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: 6 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -21.266107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.266107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.266107 (E_RNA) where: Base-Base interactions energy: -5.296 where: short stacking energy: -5.296 Base-Backbone interact. energy: -0.000 local terms energy: -15.969663 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -3.892 flat angles C4'-P-C4' energy: -3.873 flat angles P-C4'-P energy: -2.991 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: 10, replica: 4 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -23.400538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.400538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.400538 (E_RNA) where: Base-Base interactions energy: -6.417 where: short stacking energy: -6.685 Base-Backbone interact. energy: -0.149 local terms energy: -16.834284 where: bonds (distance) C4'-P energy: -3.939 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.793 flat angles P-C4'-P energy: -2.547 tors. eta vs tors. theta energy: -2.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -28.859432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.859432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.859432 (E_RNA) where: Base-Base interactions energy: -12.144 where: short stacking energy: -12.144 Base-Backbone interact. energy: -0.074 local terms energy: -16.642074 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.887 flat angles P-C4'-P energy: -1.468 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: 2, replica: 1 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -30.979172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.979172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.979172 (E_RNA) where: Base-Base interactions energy: -11.695 where: short stacking energy: -11.695 Base-Backbone interact. energy: -0.000 local terms energy: -19.284589 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.061 flat angles P-C4'-P energy: -2.605 tors. eta vs tors. theta energy: -3.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -28.310571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.310571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.310571 (E_RNA) where: Base-Base interactions energy: -10.843 where: short stacking energy: -10.843 Base-Backbone interact. energy: -0.000 local terms energy: -17.466949 where: bonds (distance) C4'-P energy: -3.673 bonds (distance) P-C4' energy: -3.874 flat angles C4'-P-C4' energy: -3.062 flat angles P-C4'-P energy: -3.474 tors. eta vs tors. theta energy: -3.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -22.483622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.483622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.483622 (E_RNA) where: Base-Base interactions energy: -6.797 where: short stacking energy: -6.797 Base-Backbone interact. energy: -0.001 local terms energy: -15.685546 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.612 flat angles P-C4'-P energy: -2.258 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: 2 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -27.301526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.301526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.301526 (E_RNA) where: Base-Base interactions energy: -9.130 where: short stacking energy: -9.130 Base-Backbone interact. energy: -0.000 local terms energy: -18.171434 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.855 flat angles P-C4'-P energy: -1.833 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: 7 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -25.771672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.771672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.771672 (E_RNA) where: Base-Base interactions energy: -9.965 where: short stacking energy: -9.965 Base-Backbone interact. energy: -0.005 local terms energy: -15.801305 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -2.943 flat angles P-C4'-P energy: -1.987 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: 10 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -25.128768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.128768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.128768 (E_RNA) where: Base-Base interactions energy: -9.074 where: short stacking energy: -9.074 Base-Backbone interact. energy: -0.000 local terms energy: -16.054923 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -4.004 flat angles P-C4'-P energy: -1.995 tors. eta vs tors. theta energy: -1.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -23.811027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.811027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.811027 (E_RNA) where: Base-Base interactions energy: -9.897 where: short stacking energy: -9.897 Base-Backbone interact. energy: 0.165 local terms energy: -14.078267 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -1.824 flat angles C4'-P-C4' energy: -4.063 flat angles P-C4'-P energy: -1.790 tors. eta vs tors. theta energy: -1.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -27.271001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.271001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.271001 (E_RNA) where: Base-Base interactions energy: -8.313 where: short stacking energy: -8.313 Base-Backbone interact. energy: -0.001 local terms energy: -18.957108 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.662 flat angles P-C4'-P energy: -3.747 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: 10, replica: 4 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -19.172917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.172917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.172917 (E_RNA) where: Base-Base interactions energy: -4.809 where: short stacking energy: -4.809 Base-Backbone interact. energy: -0.000 local terms energy: -14.363626 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -2.411 flat angles P-C4'-P energy: -1.520 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: 1, replica: 1 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -29.031821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.031821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.031821 (E_RNA) where: Base-Base interactions energy: -10.543 where: short stacking energy: -10.543 Base-Backbone interact. energy: -0.000 local terms energy: -18.488513 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.059 flat angles P-C4'-P energy: -2.645 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: 2, replica: 8 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -24.529379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.529379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.529379 (E_RNA) where: Base-Base interactions energy: -7.584 where: short stacking energy: -7.584 Base-Backbone interact. energy: -0.000 local terms energy: -16.945014 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -3.975 flat angles P-C4'-P energy: -1.727 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: 146 Temperature: 1.000000 Total energy: -28.763633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.763633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.763633 (E_RNA) where: Base-Base interactions energy: -10.929 where: short stacking energy: -10.929 Base-Backbone interact. energy: -0.000 local terms energy: -17.835038 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -3.532 flat angles C4'-P-C4' energy: -4.609 flat angles P-C4'-P energy: -3.155 tors. eta vs tors. theta energy: -2.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -23.768401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.768401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.768401 (E_RNA) where: Base-Base interactions energy: -7.013 where: short stacking energy: -7.013 Base-Backbone interact. energy: 0.497 local terms energy: -17.252145 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -4.540 flat angles P-C4'-P energy: -3.509 tors. eta vs tors. theta energy: -0.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -20.983670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.983670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.983670 (E_RNA) where: Base-Base interactions energy: -5.756 where: short stacking energy: -5.756 Base-Backbone interact. energy: -0.010 local terms energy: -15.217513 where: bonds (distance) C4'-P energy: -3.889 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -1.891 flat angles P-C4'-P energy: -3.728 tors. eta vs tors. theta energy: -0.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -27.722702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.722702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.722702 (E_RNA) where: Base-Base interactions energy: -9.142 where: short stacking energy: -9.142 Base-Backbone interact. energy: -0.000 local terms energy: -18.580789 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.468 flat angles P-C4'-P energy: -2.590 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: 7, replica: 10 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -22.192795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.192795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.192795 (E_RNA) where: Base-Base interactions energy: -7.018 where: short stacking energy: -7.018 Base-Backbone interact. energy: -0.000 local terms energy: -15.174336 where: bonds (distance) C4'-P energy: -3.314 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -1.265 flat angles P-C4'-P energy: -2.150 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: 8, replica: 6 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -23.829161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.829161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.829161 (E_RNA) where: Base-Base interactions energy: -6.955 where: short stacking energy: -6.955 Base-Backbone interact. energy: -0.057 local terms energy: -16.817228 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -4.394 flat angles P-C4'-P energy: -3.070 tors. eta vs tors. theta energy: -1.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -21.501970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.501970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.501970 (E_RNA) where: Base-Base interactions energy: -9.808 where: short stacking energy: -9.808 Base-Backbone interact. energy: -0.000 local terms energy: -11.693367 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -2.822 flat angles P-C4'-P energy: -0.335 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: 9 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -19.286169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.286169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.286169 (E_RNA) where: Base-Base interactions energy: -6.970 where: short stacking energy: -6.970 Base-Backbone interact. energy: -0.000 local terms energy: -12.316239 where: bonds (distance) C4'-P energy: -3.016 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -3.232 flat angles P-C4'-P energy: -2.645 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: 1, replica: 1 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -33.258404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.258404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.258404 (E_RNA) where: Base-Base interactions energy: -11.778 where: short stacking energy: -11.778 Base-Backbone interact. energy: -0.000 local terms energy: -21.480157 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.048 flat angles P-C4'-P energy: -2.990 tors. eta vs tors. theta energy: -4.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -24.671172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.671172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.671172 (E_RNA) where: Base-Base interactions energy: -7.979 where: short stacking energy: -7.979 Base-Backbone interact. energy: -0.077 local terms energy: -16.615097 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -2.777 flat angles P-C4'-P energy: -3.655 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: 3, replica: 8 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -24.851695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.851695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.851695 (E_RNA) where: Base-Base interactions energy: -7.374 where: short stacking energy: -7.374 Base-Backbone interact. energy: -0.000 local terms energy: -17.477250 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.067 flat angles P-C4'-P energy: -3.644 tors. eta vs tors. theta energy: -0.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -27.831539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.831539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.831539 (E_RNA) where: Base-Base interactions energy: -10.951 where: short stacking energy: -10.951 Base-Backbone interact. energy: -0.000 local terms energy: -16.880788 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.600 flat angles P-C4'-P energy: -1.469 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: 5, replica: 3 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -30.096125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.096125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.096125 (E_RNA) where: Base-Base interactions energy: -10.953 where: short stacking energy: -10.953 Base-Backbone interact. energy: -0.000 local terms energy: -19.142911 where: bonds (distance) C4'-P energy: -3.397 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.731 flat angles P-C4'-P energy: -3.588 tors. eta vs tors. theta energy: -3.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -23.320415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.320415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.320415 (E_RNA) where: Base-Base interactions energy: -7.243 where: short stacking energy: -7.243 Base-Backbone interact. energy: -0.053 local terms energy: -16.023998 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.220 flat angles P-C4'-P energy: -3.567 tors. eta vs tors. theta energy: 0.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -22.429275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.429275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.429275 (E_RNA) where: Base-Base interactions energy: -4.234 where: short stacking energy: -4.234 Base-Backbone interact. energy: -0.000 local terms energy: -18.194909 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.819 flat angles P-C4'-P energy: -3.537 tors. eta vs tors. theta energy: -1.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -27.176728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.176728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.176728 (E_RNA) where: Base-Base interactions energy: -10.409 where: short stacking energy: -10.409 Base-Backbone interact. energy: -0.000 local terms energy: -16.767257 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.051 flat angles C4'-P-C4' energy: -1.326 flat angles P-C4'-P energy: -1.736 tors. eta vs tors. theta energy: -5.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -23.266246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.266246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.266246 (E_RNA) where: Base-Base interactions energy: -6.499 where: short stacking energy: -6.499 Base-Backbone interact. energy: -0.006 local terms energy: -16.760916 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -4.316 flat angles P-C4'-P energy: -2.742 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: 10, replica: 9 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -17.907461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.907461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.907461 (E_RNA) where: Base-Base interactions energy: -4.098 where: short stacking energy: -4.098 Base-Backbone interact. energy: -0.036 local terms energy: -13.773407 where: bonds (distance) C4'-P energy: -3.198 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -1.282 flat angles P-C4'-P energy: -3.222 tors. eta vs tors. theta energy: -0.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -26.249227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.249227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.249227 (E_RNA) where: Base-Base interactions energy: -7.907 where: short stacking energy: -7.907 Base-Backbone interact. energy: -0.000 local terms energy: -18.342306 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.716 flat angles P-C4'-P energy: -3.591 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: 2, replica: 1 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -24.030648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.030648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.030648 (E_RNA) where: Base-Base interactions energy: -7.578 where: short stacking energy: -7.578 Base-Backbone interact. energy: -0.000 local terms energy: -16.452472 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.343 flat angles C4'-P-C4' energy: -3.111 flat angles P-C4'-P energy: -2.668 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: 3, replica: 2 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -26.981709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.981709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.981709 (E_RNA) where: Base-Base interactions energy: -7.961 where: short stacking energy: -7.961 Base-Backbone interact. energy: -0.034 local terms energy: -18.987268 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.394 flat angles P-C4'-P energy: -3.593 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: 4, replica: 8 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -26.028549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.028549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.028549 (E_RNA) where: Base-Base interactions energy: -9.245 where: short stacking energy: -9.266 Base-Backbone interact. energy: -0.000 local terms energy: -16.783984 where: bonds (distance) C4'-P energy: -3.152 bonds (distance) P-C4' energy: -4.572 flat angles C4'-P-C4' energy: -4.383 flat angles P-C4'-P energy: -1.947 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: 5, replica: 10 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -19.202275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.202275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.202275 (E_RNA) where: Base-Base interactions energy: -5.356 where: short stacking energy: -5.356 Base-Backbone interact. energy: -0.003 local terms energy: -13.843505 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.114 flat angles P-C4'-P energy: -2.638 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: 6, replica: 3 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -26.732964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.732964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.732964 (E_RNA) where: Base-Base interactions energy: -7.670 where: short stacking energy: -7.670 Base-Backbone interact. energy: -0.000 local terms energy: -19.062822 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -4.712 flat angles P-C4'-P energy: -2.741 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: 7, replica: 4 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -19.070187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.070187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.070187 (E_RNA) where: Base-Base interactions energy: -4.280 where: short stacking energy: -4.280 Base-Backbone interact. energy: -0.000 local terms energy: -14.790174 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -2.705 flat angles P-C4'-P energy: -2.113 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: 8, replica: 7 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -23.203944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.203944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.203944 (E_RNA) where: Base-Base interactions energy: -5.761 where: short stacking energy: -5.761 Base-Backbone interact. energy: -0.000 local terms energy: -17.442897 where: bonds (distance) C4'-P energy: -2.954 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.061 flat angles P-C4'-P energy: -1.545 tors. eta vs tors. theta energy: -3.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -19.113962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.113962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.113962 (E_RNA) where: Base-Base interactions energy: -6.304 where: short stacking energy: -6.304 Base-Backbone interact. energy: -0.031 local terms energy: -12.778370 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -3.557 flat angles C4'-P-C4' energy: -3.928 flat angles P-C4'-P energy: -2.999 tors. eta vs tors. theta energy: 1.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -19.561344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.561344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.561344 (E_RNA) where: Base-Base interactions energy: -3.408 where: short stacking energy: -3.408 Base-Backbone interact. energy: -0.030 local terms energy: -16.123640 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.575 flat angles P-C4'-P energy: -2.810 tors. eta vs tors. theta energy: -0.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -28.513349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.513349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.513349 (E_RNA) where: Base-Base interactions energy: -11.545 where: short stacking energy: -11.545 Base-Backbone interact. energy: -0.000 local terms energy: -16.968264 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -4.555 flat angles P-C4'-P energy: -1.343 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: 2, replica: 2 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -25.178607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.178607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.178607 (E_RNA) where: Base-Base interactions energy: -5.762 where: short stacking energy: -5.762 Base-Backbone interact. energy: -0.000 local terms energy: -19.416495 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.571 flat angles P-C4'-P energy: -3.625 tors. eta vs tors. theta energy: -2.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -31.083763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.083763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.083763 (E_RNA) where: Base-Base interactions energy: -11.248 where: short stacking energy: -11.248 Base-Backbone interact. energy: -0.000 local terms energy: -19.835929 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.642 flat angles P-C4'-P energy: -2.538 tors. eta vs tors. theta energy: -3.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -23.547522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.547522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.547522 (E_RNA) where: Base-Base interactions energy: -8.024 where: short stacking energy: -8.024 Base-Backbone interact. energy: -0.000 local terms energy: -15.523078 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.325 flat angles P-C4'-P energy: -1.534 tors. eta vs tors. theta energy: -1.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -28.188012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.188012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.188012 (E_RNA) where: Base-Base interactions energy: -11.626 where: short stacking energy: -11.626 Base-Backbone interact. energy: -0.000 local terms energy: -16.562278 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.513 flat angles P-C4'-P energy: -2.032 tors. eta vs tors. theta energy: -2.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -20.610230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.610230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.610230 (E_RNA) where: Base-Base interactions energy: -3.524 where: short stacking energy: -3.524 Base-Backbone interact. energy: -0.266 local terms energy: -16.819981 where: bonds (distance) C4'-P energy: -3.889 bonds (distance) P-C4' energy: -3.786 flat angles C4'-P-C4' energy: -4.080 flat angles P-C4'-P energy: -3.101 tors. eta vs tors. theta energy: -1.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -23.612212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.612212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.612212 (E_RNA) where: Base-Base interactions energy: -7.637 where: short stacking energy: -7.637 Base-Backbone interact. energy: -0.000 local terms energy: -15.975374 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -3.984 flat angles C4'-P-C4' energy: -4.909 flat angles P-C4'-P energy: -1.002 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: 9 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -19.481124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.481124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.481124 (E_RNA) where: Base-Base interactions energy: -4.298 where: short stacking energy: -4.298 Base-Backbone interact. energy: -0.014 local terms energy: -15.168567 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -2.878 flat angles P-C4'-P energy: -1.525 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: 9, replica: 7 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -21.416485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.416485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.416485 (E_RNA) where: Base-Base interactions energy: -6.391 where: short stacking energy: -6.391 Base-Backbone interact. energy: -0.061 local terms energy: -14.963962 where: bonds (distance) C4'-P energy: -3.268 bonds (distance) P-C4' energy: -3.367 flat angles C4'-P-C4' energy: -4.207 flat angles P-C4'-P energy: -2.752 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: 10, replica: 6 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -21.677881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.677881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.677881 (E_RNA) where: Base-Base interactions energy: -6.467 where: short stacking energy: -6.467 Base-Backbone interact. energy: -0.000 local terms energy: -15.211335 where: bonds (distance) C4'-P energy: -3.442 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -1.861 flat angles P-C4'-P energy: -3.224 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: 1, replica: 2 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -26.933360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.933360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.933360 (E_RNA) where: Base-Base interactions energy: -7.509 where: short stacking energy: -7.509 Base-Backbone interact. energy: -0.000 local terms energy: -19.423935 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.129 flat angles P-C4'-P energy: -3.823 tors. eta vs tors. theta energy: -1.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -29.865385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.865385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.865385 (E_RNA) where: Base-Base interactions energy: -11.487 where: short stacking energy: -11.487 Base-Backbone interact. energy: -0.001 local terms energy: -18.377184 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -4.139 flat angles P-C4'-P energy: -1.803 tors. eta vs tors. theta energy: -3.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -25.172704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.172704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.172704 (E_RNA) where: Base-Base interactions energy: -7.848 where: short stacking energy: -7.848 Base-Backbone interact. energy: -0.022 local terms energy: -17.302980 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.440 flat angles P-C4'-P energy: -3.506 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: 4, replica: 1 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -22.713492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.713492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.713492 (E_RNA) where: Base-Base interactions energy: -7.212 where: short stacking energy: -7.212 Base-Backbone interact. energy: -0.000 local terms energy: -15.501442 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.941 flat angles P-C4'-P energy: -1.627 tors. eta vs tors. theta energy: -0.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -24.313576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.313576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.313576 (E_RNA) where: Base-Base interactions energy: -6.442 where: short stacking energy: -6.442 Base-Backbone interact. energy: -0.000 local terms energy: -17.871480 where: bonds (distance) C4'-P energy: -3.161 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.625 flat angles P-C4'-P energy: -2.186 tors. eta vs tors. theta energy: -3.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -24.872343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.872343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.872343 (E_RNA) where: Base-Base interactions energy: -7.436 where: short stacking energy: -7.436 Base-Backbone interact. energy: -0.000 local terms energy: -17.436652 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.642 flat angles P-C4'-P energy: -0.941 tors. eta vs tors. theta energy: -2.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -24.562240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.562240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.562240 (E_RNA) where: Base-Base interactions energy: -6.171 where: short stacking energy: -6.171 Base-Backbone interact. energy: -0.005 local terms energy: -18.386901 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.427 flat angles P-C4'-P energy: -3.567 tors. eta vs tors. theta energy: -2.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -19.425738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.425738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.425738 (E_RNA) where: Base-Base interactions energy: -3.716 where: short stacking energy: -3.716 Base-Backbone interact. energy: -0.000 local terms energy: -15.709752 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.941 flat angles P-C4'-P energy: -1.979 tors. eta vs tors. theta energy: -0.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -21.800121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.800121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.800121 (E_RNA) where: Base-Base interactions energy: -3.487 where: short stacking energy: -3.487 Base-Backbone interact. energy: -0.008 local terms energy: -18.305067 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -3.659 flat angles P-C4'-P energy: -3.825 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: 10, replica: 7 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -24.267124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.267124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.267124 (E_RNA) where: Base-Base interactions energy: -7.199 where: short stacking energy: -7.199 Base-Backbone interact. energy: -0.003 local terms energy: -17.065430 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -4.467 flat angles P-C4'-P energy: -3.439 tors. eta vs tors. theta energy: -1.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -30.693549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.693549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.693549 (E_RNA) where: Base-Base interactions energy: -11.856 where: short stacking energy: -11.856 Base-Backbone interact. energy: -0.000 local terms energy: -18.837549 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -3.977 flat angles P-C4'-P energy: -3.285 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: 2, replica: 5 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -23.869492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.869492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.869492 (E_RNA) where: Base-Base interactions energy: -5.873 where: short stacking energy: -5.873 Base-Backbone interact. energy: -0.000 local terms energy: -17.995926 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -3.553 flat angles C4'-P-C4' energy: -4.451 flat angles P-C4'-P energy: -3.308 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: 3, replica: 10 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -24.531863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.531863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.531863 (E_RNA) where: Base-Base interactions energy: -7.314 where: short stacking energy: -7.314 Base-Backbone interact. energy: -0.001 local terms energy: -17.217086 where: bonds (distance) C4'-P energy: -2.962 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.755 flat angles P-C4'-P energy: -3.197 tors. eta vs tors. theta energy: -2.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -24.948511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.948511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.948511 (E_RNA) where: Base-Base interactions energy: -7.388 where: short stacking energy: -7.388 Base-Backbone interact. energy: -0.080 local terms energy: -17.480872 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -3.708 flat angles C4'-P-C4' energy: -4.452 flat angles P-C4'-P energy: -3.729 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: 5, replica: 1 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -24.730368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.730368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.730368 (E_RNA) where: Base-Base interactions energy: -8.294 where: short stacking energy: -8.294 Base-Backbone interact. energy: -0.000 local terms energy: -16.436106 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -0.877 flat angles P-C4'-P energy: -3.198 tors. eta vs tors. theta energy: -3.081 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: 3 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -25.087842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.087842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.087842 (E_RNA) where: Base-Base interactions energy: -8.674 where: short stacking energy: -8.674 Base-Backbone interact. energy: -0.000 local terms energy: -16.413648 where: bonds (distance) C4'-P energy: -3.070 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.134 flat angles P-C4'-P energy: -3.129 tors. eta vs tors. theta energy: -0.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -22.767611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.767611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.767611 (E_RNA) where: Base-Base interactions energy: -8.108 where: short stacking energy: -8.108 Base-Backbone interact. energy: -0.000 local terms energy: -14.660068 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -3.481 flat angles P-C4'-P energy: -0.465 tors. eta vs tors. theta energy: -1.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -23.124896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.124896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.124896 (E_RNA) where: Base-Base interactions energy: -7.474 where: short stacking energy: -7.474 Base-Backbone interact. energy: -0.000 local terms energy: -15.650788 where: bonds (distance) C4'-P energy: -3.861 bonds (distance) P-C4' energy: -4.367 flat angles C4'-P-C4' energy: -4.432 flat angles P-C4'-P energy: -1.062 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: 9, replica: 9 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -21.317598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.317598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.317598 (E_RNA) where: Base-Base interactions energy: -7.474 where: short stacking energy: -7.474 Base-Backbone interact. energy: -0.034 local terms energy: -13.809645 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.226 flat angles P-C4'-P energy: -0.590 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: 10, replica: 7 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -20.850022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.850022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.850022 (E_RNA) where: Base-Base interactions energy: -4.848 where: short stacking energy: -4.848 Base-Backbone interact. energy: -0.092 local terms energy: -15.909738 where: bonds (distance) C4'-P energy: -3.567 bonds (distance) P-C4' energy: -3.916 flat angles C4'-P-C4' energy: -3.907 flat angles P-C4'-P energy: -3.928 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: 1, replica: 5 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -26.291804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.291804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.291804 (E_RNA) where: Base-Base interactions energy: -11.171 where: short stacking energy: -11.171 Base-Backbone interact. energy: -0.000 local terms energy: -15.120392 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.625 flat angles P-C4'-P energy: -0.691 tors. eta vs tors. theta energy: -0.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -27.292516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.292516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.292516 (E_RNA) where: Base-Base interactions energy: -10.381 where: short stacking energy: -10.381 Base-Backbone interact. energy: -0.001 local terms energy: -16.909962 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.434 flat angles P-C4'-P energy: -1.325 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: 3, replica: 10 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -21.803073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.803073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.803073 (E_RNA) where: Base-Base interactions energy: -5.768 where: short stacking energy: -5.768 Base-Backbone interact. energy: -0.000 local terms energy: -16.035188 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.606 flat angles P-C4'-P energy: -3.823 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: 4, replica: 4 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -19.982191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.982191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.982191 (E_RNA) where: Base-Base interactions energy: -3.033 where: short stacking energy: -3.033 Base-Backbone interact. energy: -0.082 local terms energy: -16.867694 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.360 flat angles P-C4'-P energy: -3.946 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: 5, replica: 3 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -22.797326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.797326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.797326 (E_RNA) where: Base-Base interactions energy: -6.739 where: short stacking energy: -6.739 Base-Backbone interact. energy: -0.000 local terms energy: -16.057848 where: bonds (distance) C4'-P energy: -2.875 bonds (distance) P-C4' energy: -4.631 flat angles C4'-P-C4' energy: -4.029 flat angles P-C4'-P energy: -2.300 tors. eta vs tors. theta energy: -2.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -25.343785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.343785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.343785 (E_RNA) where: Base-Base interactions energy: -6.936 where: short stacking energy: -6.936 Base-Backbone interact. energy: -0.000 local terms energy: -18.407287 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.491 flat angles P-C4'-P energy: -3.708 tors. eta vs tors. theta energy: -0.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -22.996286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.996286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.996286 (E_RNA) where: Base-Base interactions energy: -7.473 where: short stacking energy: -7.473 Base-Backbone interact. energy: -0.004 local terms energy: -15.519325 where: bonds (distance) C4'-P energy: -3.185 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -3.410 flat angles P-C4'-P energy: -3.511 tors. eta vs tors. theta energy: -0.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -22.807054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.807054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.807054 (E_RNA) where: Base-Base interactions energy: -4.868 where: short stacking energy: -4.868 Base-Backbone interact. energy: -0.086 local terms energy: -17.853373 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.674 flat angles P-C4'-P energy: -2.959 tors. eta vs tors. theta energy: -1.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -23.776772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.776772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.776772 (E_RNA) where: Base-Base interactions energy: -4.930 where: short stacking energy: -4.930 Base-Backbone interact. energy: -0.006 local terms energy: -18.840794 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.993 flat angles P-C4'-P energy: -3.460 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: 7 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -18.940340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.940340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.940340 (E_RNA) where: Base-Base interactions energy: -4.314 where: short stacking energy: -4.314 Base-Backbone interact. energy: -0.000 local terms energy: -14.626208 where: bonds (distance) C4'-P energy: -1.145 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.938 flat angles P-C4'-P energy: -3.175 tors. eta vs tors. theta energy: -1.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -27.073571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.073571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.073571 (E_RNA) where: Base-Base interactions energy: -8.207 where: short stacking energy: -8.207 Base-Backbone interact. energy: -0.011 local terms energy: -18.855199 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.464 flat angles P-C4'-P energy: -2.187 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: 2, replica: 10 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -22.298356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.298356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.298356 (E_RNA) where: Base-Base interactions energy: -5.788 where: short stacking energy: -5.788 Base-Backbone interact. energy: -0.000 local terms energy: -16.510556 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -2.899 flat angles P-C4'-P energy: -2.872 tors. eta vs tors. theta energy: -1.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -25.747132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.747132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.747132 (E_RNA) where: Base-Base interactions energy: -5.343 where: short stacking energy: -5.343 Base-Backbone interact. energy: -0.055 local terms energy: -20.348951 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.590 flat angles P-C4'-P energy: -3.920 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: 3 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -29.297062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.297062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.297062 (E_RNA) where: Base-Base interactions energy: -11.280 where: short stacking energy: -11.280 Base-Backbone interact. energy: -0.065 local terms energy: -17.951216 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.207 flat angles P-C4'-P energy: -3.082 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: 4 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -28.637576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.637576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.637576 (E_RNA) where: Base-Base interactions energy: -10.349 where: short stacking energy: -10.349 Base-Backbone interact. energy: -0.000 local terms energy: -18.289018 where: bonds (distance) C4'-P energy: -3.761 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.008 flat angles P-C4'-P energy: -3.191 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: 6, replica: 6 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -22.744707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.744707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.744707 (E_RNA) where: Base-Base interactions energy: -6.182 where: short stacking energy: -6.182 Base-Backbone interact. energy: -0.005 local terms energy: -16.558082 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.449 flat angles P-C4'-P energy: -3.226 tors. eta vs tors. theta energy: -0.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -23.320389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.320389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.320389 (E_RNA) where: Base-Base interactions energy: -7.724 where: short stacking energy: -7.724 Base-Backbone interact. energy: -0.006 local terms energy: -15.590320 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -3.793 flat angles C4'-P-C4' energy: -3.319 flat angles P-C4'-P energy: -3.135 tors. eta vs tors. theta energy: -0.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -18.900681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.900681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.900681 (E_RNA) where: Base-Base interactions energy: -2.999 where: short stacking energy: -2.999 Base-Backbone interact. energy: -0.000 local terms energy: -15.901705 where: bonds (distance) C4'-P energy: -1.613 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.712 flat angles P-C4'-P energy: -3.995 tors. eta vs tors. theta energy: -0.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -21.336961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.336961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.336961 (E_RNA) where: Base-Base interactions energy: -6.526 where: short stacking energy: -6.526 Base-Backbone interact. energy: -0.000 local terms energy: -14.810941 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -2.983 flat angles P-C4'-P energy: -3.121 tors. eta vs tors. theta energy: -0.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -21.177617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.177617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.177617 (E_RNA) where: Base-Base interactions energy: -5.911 where: short stacking energy: -5.911 Base-Backbone interact. energy: -0.000 local terms energy: -15.266509 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -2.822 flat angles P-C4'-P energy: -0.321 tors. eta vs tors. theta energy: -2.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -28.258197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.258197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.258197 (E_RNA) where: Base-Base interactions energy: -10.167 where: short stacking energy: -10.180 Base-Backbone interact. energy: -0.000 local terms energy: -18.090744 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -3.296 flat angles C4'-P-C4' energy: -4.483 flat angles P-C4'-P energy: -3.728 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: 2, replica: 5 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -28.844899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.844899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.844899 (E_RNA) where: Base-Base interactions energy: -11.269 where: short stacking energy: -11.269 Base-Backbone interact. energy: -0.015 local terms energy: -17.561391 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -3.987 flat angles C4'-P-C4' energy: -3.324 flat angles P-C4'-P energy: -2.790 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: 3, replica: 3 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -22.965131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.965131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.965131 (E_RNA) where: Base-Base interactions energy: -7.202 where: short stacking energy: -7.202 Base-Backbone interact. energy: -0.042 local terms energy: -15.720472 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -4.169 flat angles P-C4'-P energy: -2.133 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: 4, replica: 2 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -24.654949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.654949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.654949 (E_RNA) where: Base-Base interactions energy: -8.182 where: short stacking energy: -8.182 Base-Backbone interact. energy: -0.007 local terms energy: -16.465828 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -4.343 flat angles C4'-P-C4' energy: -4.698 flat angles P-C4'-P energy: -3.552 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: 5, replica: 6 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -24.094633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.094633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.094633 (E_RNA) where: Base-Base interactions energy: -7.997 where: short stacking energy: -7.997 Base-Backbone interact. energy: -0.000 local terms energy: -16.098062 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.941 flat angles P-C4'-P energy: -2.152 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: 6, replica: 4 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -24.634463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.634463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.634463 (E_RNA) where: Base-Base interactions energy: -9.631 where: short stacking energy: -9.631 Base-Backbone interact. energy: -0.000 local terms energy: -15.003634 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -2.778 flat angles C4'-P-C4' energy: -3.655 flat angles P-C4'-P energy: -2.305 tors. eta vs tors. theta energy: -1.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -20.467327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.467327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.467327 (E_RNA) where: Base-Base interactions energy: -4.208 where: short stacking energy: -4.208 Base-Backbone interact. energy: -0.007 local terms energy: -16.252568 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.867 flat angles C4'-P-C4' energy: -4.305 flat angles P-C4'-P energy: -3.172 tors. eta vs tors. theta energy: 0.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -23.018123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.018123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.018123 (E_RNA) where: Base-Base interactions energy: -7.702 where: short stacking energy: -7.702 Base-Backbone interact. energy: -0.000 local terms energy: -15.315658 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.974 flat angles P-C4'-P energy: -1.614 tors. eta vs tors. theta energy: -0.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -20.378839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.378839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.378839 (E_RNA) where: Base-Base interactions energy: -4.412 where: short stacking energy: -4.412 Base-Backbone interact. energy: -0.000 local terms energy: -15.966581 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -3.329 flat angles C4'-P-C4' energy: -2.964 flat angles P-C4'-P energy: -2.566 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: 10, replica: 8 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -26.671788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.671788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.671788 (E_RNA) where: Base-Base interactions energy: -8.837 where: short stacking energy: -8.837 Base-Backbone interact. energy: -0.000 local terms energy: -17.834515 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.809 flat angles P-C4'-P energy: -3.203 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: 1, replica: 10 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -26.018111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.018111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.018111 (E_RNA) where: Base-Base interactions energy: -8.764 where: short stacking energy: -8.764 Base-Backbone interact. energy: -0.000 local terms energy: -17.254161 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.008 flat angles P-C4'-P energy: -2.505 tors. eta vs tors. theta energy: -1.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -30.334444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.334444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.334444 (E_RNA) where: Base-Base interactions energy: -12.371 where: short stacking energy: -12.371 Base-Backbone interact. energy: -0.000 local terms energy: -17.963046 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -3.599 flat angles P-C4'-P energy: -3.539 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: 3, replica: 3 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -29.327753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.327753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.327753 (E_RNA) where: Base-Base interactions energy: -7.756 where: short stacking energy: -7.756 Base-Backbone interact. energy: -0.000 local terms energy: -21.572061 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.555 flat angles P-C4'-P energy: -3.815 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: 4, replica: 6 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -23.210238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.210238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.210238 (E_RNA) where: Base-Base interactions energy: -3.292 where: short stacking energy: -3.292 Base-Backbone interact. energy: -0.083 local terms energy: -19.836093 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.168 flat angles P-C4'-P energy: -3.930 tors. eta vs tors. theta energy: -2.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -22.419085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.419085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.419085 (E_RNA) where: Base-Base interactions energy: -7.203 where: short stacking energy: -7.203 Base-Backbone interact. energy: -0.006 local terms energy: -15.210405 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.599 flat angles P-C4'-P energy: -1.767 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: 6, replica: 9 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -20.419087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.419087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.419087 (E_RNA) where: Base-Base interactions energy: -6.453 where: short stacking energy: -6.453 Base-Backbone interact. energy: -0.000 local terms energy: -13.966013 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -1.759 flat angles P-C4'-P energy: -2.979 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: 7, replica: 4 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -20.328382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.328382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.328382 (E_RNA) where: Base-Base interactions energy: -5.530 where: short stacking energy: -5.530 Base-Backbone interact. energy: -0.034 local terms energy: -14.764010 where: bonds (distance) C4'-P energy: -2.295 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.937 flat angles P-C4'-P energy: -0.551 tors. eta vs tors. theta energy: -3.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -21.618007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.618007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.618007 (E_RNA) where: Base-Base interactions energy: -3.553 where: short stacking energy: -3.553 Base-Backbone interact. energy: -0.003 local terms energy: -18.062565 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -3.815 flat angles C4'-P-C4' energy: -4.398 flat angles P-C4'-P energy: -3.873 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: 9, replica: 1 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -20.229129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.229129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.229129 (E_RNA) where: Base-Base interactions energy: -4.553 where: short stacking energy: -4.553 Base-Backbone interact. energy: -0.001 local terms energy: -15.675135 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -3.268 flat angles C4'-P-C4' energy: -4.083 flat angles P-C4'-P energy: -3.721 tors. eta vs tors. theta energy: -0.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -21.208528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.208528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.208528 (E_RNA) where: Base-Base interactions energy: -8.629 where: short stacking energy: -8.629 Base-Backbone interact. energy: -0.010 local terms energy: -12.569249 where: bonds (distance) C4'-P energy: -2.660 bonds (distance) P-C4' energy: -3.984 flat angles C4'-P-C4' energy: -4.509 flat angles P-C4'-P energy: -0.723 tors. eta vs tors. theta energy: -0.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -28.769333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.769333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.769333 (E_RNA) where: Base-Base interactions energy: -10.317 where: short stacking energy: -10.317 Base-Backbone interact. energy: -0.000 local terms energy: -18.452228 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -4.103 flat angles C4'-P-C4' energy: -3.656 flat angles P-C4'-P energy: -3.822 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: 2, replica: 10 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -30.805169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.805169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.805169 (E_RNA) where: Base-Base interactions energy: -11.714 where: short stacking energy: -11.714 Base-Backbone interact. energy: -0.000 local terms energy: -19.090827 where: bonds (distance) C4'-P energy: -3.152 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -4.254 flat angles P-C4'-P energy: -2.675 tors. eta vs tors. theta energy: -4.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -26.342028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.342028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.342028 (E_RNA) where: Base-Base interactions energy: -8.965 where: short stacking energy: -8.965 Base-Backbone interact. energy: -0.000 local terms energy: -17.376801 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.363 flat angles P-C4'-P energy: -0.535 tors. eta vs tors. theta energy: -3.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -26.399454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.399454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.399454 (E_RNA) where: Base-Base interactions energy: -8.279 where: short stacking energy: -8.279 Base-Backbone interact. energy: -0.000 local terms energy: -18.120416 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -4.631 flat angles C4'-P-C4' energy: -3.360 flat angles P-C4'-P energy: -3.644 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: 5, replica: 2 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -29.902908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.902908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.902908 (E_RNA) where: Base-Base interactions energy: -10.907 where: short stacking energy: -10.907 Base-Backbone interact. energy: -0.000 local terms energy: -18.996316 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -4.392 flat angles C4'-P-C4' energy: -4.716 flat angles P-C4'-P energy: -3.721 tors. eta vs tors. theta energy: -2.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -22.218912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.218912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.218912 (E_RNA) where: Base-Base interactions energy: -6.853 where: short stacking energy: -6.853 Base-Backbone interact. energy: -0.000 local terms energy: -15.365891 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -3.800 flat angles P-C4'-P energy: -2.209 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: 7 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -24.205615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.205615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.205615 (E_RNA) where: Base-Base interactions energy: -11.637 where: short stacking energy: -11.637 Base-Backbone interact. energy: -0.000 local terms energy: -12.568790 where: bonds (distance) C4'-P energy: -3.161 bonds (distance) P-C4' energy: -3.815 flat angles C4'-P-C4' energy: -3.095 flat angles P-C4'-P energy: -2.153 tors. eta vs tors. theta energy: -0.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -22.225336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.225336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.225336 (E_RNA) where: Base-Base interactions energy: -7.259 where: short stacking energy: -7.259 Base-Backbone interact. energy: -0.463 local terms energy: -14.503523 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -3.786 flat angles C4'-P-C4' energy: -1.423 flat angles P-C4'-P energy: -2.868 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: 9, replica: 8 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -20.928916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.928916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.928916 (E_RNA) where: Base-Base interactions energy: -5.732 where: short stacking energy: -5.732 Base-Backbone interact. energy: -0.000 local terms energy: -15.197063 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.575 flat angles C4'-P-C4' energy: -3.267 flat angles P-C4'-P energy: -1.143 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: 1 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -17.556370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.556370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.556370 (E_RNA) where: Base-Base interactions energy: -4.149 where: short stacking energy: -4.149 Base-Backbone interact. energy: -0.000 local terms energy: -13.406819 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -3.941 flat angles C4'-P-C4' energy: -4.188 flat angles P-C4'-P energy: -2.647 tors. eta vs tors. theta energy: 1.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -29.110187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.110187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.110187 (E_RNA) where: Base-Base interactions energy: -12.245 where: short stacking energy: -12.245 Base-Backbone interact. energy: -0.000 local terms energy: -16.865004 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -3.620 flat angles P-C4'-P energy: -2.645 tors. eta vs tors. theta energy: -2.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -25.058206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.058206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.058206 (E_RNA) where: Base-Base interactions energy: -7.801 where: short stacking energy: -7.801 Base-Backbone interact. energy: -0.000 local terms energy: -17.256975 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -3.643 flat angles C4'-P-C4' energy: -4.786 flat angles P-C4'-P energy: -2.894 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: 10 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -24.771276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.771276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.771276 (E_RNA) where: Base-Base interactions energy: -6.264 where: short stacking energy: -6.264 Base-Backbone interact. energy: 0.634 local terms energy: -19.141037 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.025 flat angles P-C4'-P energy: -2.954 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: 4, replica: 3 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -23.728042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.728042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.728042 (E_RNA) where: Base-Base interactions energy: -4.949 where: short stacking energy: -4.949 Base-Backbone interact. energy: -0.003 local terms energy: -18.775440 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -4.632 flat angles P-C4'-P energy: -2.897 tors. eta vs tors. theta energy: -1.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -23.057799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.057799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.057799 (E_RNA) where: Base-Base interactions energy: -7.147 where: short stacking energy: -7.147 Base-Backbone interact. energy: -0.001 local terms energy: -15.908943 where: bonds (distance) C4'-P energy: -2.565 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.095 flat angles P-C4'-P energy: -3.173 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: 6, replica: 7 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -26.163953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.163953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.163953 (E_RNA) where: Base-Base interactions energy: -8.406 where: short stacking energy: -8.406 Base-Backbone interact. energy: -0.004 local terms energy: -17.754079 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -3.889 flat angles C4'-P-C4' energy: -3.316 flat angles P-C4'-P energy: -3.439 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: 7, replica: 9 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -24.475638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.475638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.475638 (E_RNA) where: Base-Base interactions energy: -8.161 where: short stacking energy: -8.161 Base-Backbone interact. energy: -0.000 local terms energy: -16.314571 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -4.061 flat angles P-C4'-P energy: -2.512 tors. eta vs tors. theta energy: -1.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -21.559131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.559131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.559131 (E_RNA) where: Base-Base interactions energy: -7.229 where: short stacking energy: -7.229 Base-Backbone interact. energy: -0.020 local terms energy: -14.310823 where: bonds (distance) C4'-P energy: -1.935 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -3.888 flat angles P-C4'-P energy: -3.349 tors. eta vs tors. theta energy: -0.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -19.397009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.397009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.397009 (E_RNA) where: Base-Base interactions energy: -4.032 where: short stacking energy: -4.032 Base-Backbone interact. energy: -0.009 local terms energy: -15.355306 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -3.268 flat angles C4'-P-C4' energy: -4.524 flat angles P-C4'-P energy: -3.835 tors. eta vs tors. theta energy: 0.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -22.763434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.763434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.763434 (E_RNA) where: Base-Base interactions energy: -11.164 where: short stacking energy: -11.164 Base-Backbone interact. energy: 0.718 local terms energy: -12.316980 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -2.550 flat angles C4'-P-C4' energy: -3.320 flat angles P-C4'-P energy: -2.487 tors. eta vs tors. theta energy: -0.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -27.800121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.800121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.800121 (E_RNA) where: Base-Base interactions energy: -9.758 where: short stacking energy: -9.758 Base-Backbone interact. energy: -0.016 local terms energy: -18.025293 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.173 flat angles P-C4'-P energy: -3.855 tors. eta vs tors. theta energy: -1.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -27.878575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.878575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.878575 (E_RNA) where: Base-Base interactions energy: -9.486 where: short stacking energy: -9.486 Base-Backbone interact. energy: -0.003 local terms energy: -18.388953 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.735 flat angles P-C4'-P energy: -2.878 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: 3, replica: 3 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -29.200931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.200931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.200931 (E_RNA) where: Base-Base interactions energy: -11.571 where: short stacking energy: -11.571 Base-Backbone interact. energy: -0.000 local terms energy: -17.629618 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.173 flat angles P-C4'-P energy: -2.297 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: 4, replica: 10 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -22.754317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.754317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.754317 (E_RNA) where: Base-Base interactions energy: -4.002 where: short stacking energy: -4.002 Base-Backbone interact. energy: -0.062 local terms energy: -18.690415 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -4.395 flat angles C4'-P-C4' energy: -3.782 flat angles P-C4'-P energy: -3.862 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: 5, replica: 7 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -30.217447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.217447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.217447 (E_RNA) where: Base-Base interactions energy: -11.454 where: short stacking energy: -11.454 Base-Backbone interact. energy: -0.000 local terms energy: -18.763736 where: bonds (distance) C4'-P energy: -2.146 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.004 flat angles P-C4'-P energy: -3.101 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: 6, replica: 2 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -21.539776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.539776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.539776 (E_RNA) where: Base-Base interactions energy: -5.159 where: short stacking energy: -5.159 Base-Backbone interact. energy: -0.000 local terms energy: -16.380496 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.700 flat angles P-C4'-P energy: -2.776 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: 7, replica: 8 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -22.129075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.129075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.129075 (E_RNA) where: Base-Base interactions energy: -7.660 where: short stacking energy: -7.660 Base-Backbone interact. energy: -0.080 local terms energy: -14.388647 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -3.784 flat angles C4'-P-C4' energy: -3.620 flat angles P-C4'-P energy: -2.499 tors. eta vs tors. theta energy: 0.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -21.600262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.600262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.600262 (E_RNA) where: Base-Base interactions energy: -4.320 where: short stacking energy: -4.320 Base-Backbone interact. energy: -0.000 local terms energy: -17.280453 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -3.723 flat angles C4'-P-C4' energy: -4.573 flat angles P-C4'-P energy: -2.056 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: 9, replica: 1 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -23.681334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.681334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.681334 (E_RNA) where: Base-Base interactions energy: -5.631 where: short stacking energy: -5.631 Base-Backbone interact. energy: -0.000 local terms energy: -18.050012 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -3.290 flat angles C4'-P-C4' energy: -4.266 flat angles P-C4'-P energy: -2.130 tors. eta vs tors. theta energy: -4.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -23.010235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.010235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.010235 (E_RNA) where: Base-Base interactions energy: -6.836 where: short stacking energy: -6.836 Base-Backbone interact. energy: -0.000 local terms energy: -16.174701 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -3.557 flat angles C4'-P-C4' energy: -4.364 flat angles P-C4'-P energy: -1.068 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: 6 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -28.625735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.625735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.625735 (E_RNA) where: Base-Base interactions energy: -7.724 where: short stacking energy: -7.724 Base-Backbone interact. energy: -0.000 local terms energy: -20.901969 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.364 flat angles P-C4'-P energy: -3.552 tors. eta vs tors. theta energy: -3.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -25.770563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.770563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.770563 (E_RNA) where: Base-Base interactions energy: -7.955 where: short stacking energy: -7.955 Base-Backbone interact. energy: -0.810 local terms energy: -17.005892 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.622 flat angles P-C4'-P energy: -3.234 tors. eta vs tors. theta energy: -1.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -26.968253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.968253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.968253 (E_RNA) where: Base-Base interactions energy: -11.502 where: short stacking energy: -11.502 Base-Backbone interact. energy: -0.002 local terms energy: -15.464865 where: bonds (distance) C4'-P energy: -2.316 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -2.970 flat angles P-C4'-P energy: -3.081 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: 4, replica: 7 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -22.851337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.851337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.851337 (E_RNA) where: Base-Base interactions energy: -5.882 where: short stacking energy: -5.882 Base-Backbone interact. energy: -0.000 local terms energy: -16.969198 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -2.660 flat angles P-C4'-P energy: -3.610 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: 5, replica: 10 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -21.612336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.612336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.612336 (E_RNA) where: Base-Base interactions energy: -5.919 where: short stacking energy: -5.919 Base-Backbone interact. energy: -0.001 local terms energy: -15.692273 where: bonds (distance) C4'-P energy: -2.928 bonds (distance) P-C4' energy: -3.131 flat angles C4'-P-C4' energy: -4.027 flat angles P-C4'-P energy: -3.241 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: 6, replica: 2 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -24.146067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.146067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.146067 (E_RNA) where: Base-Base interactions energy: -5.069 where: short stacking energy: -5.069 Base-Backbone interact. energy: -0.001 local terms energy: -19.076200 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.099 flat angles P-C4'-P energy: -4.031 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: 7, replica: 8 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -20.890447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.890447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.890447 (E_RNA) where: Base-Base interactions energy: -4.815 where: short stacking energy: -4.815 Base-Backbone interact. energy: -0.101 local terms energy: -15.974718 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.010 flat angles P-C4'-P energy: -3.729 tors. eta vs tors. theta energy: 0.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -23.324383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.324383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.324383 (E_RNA) where: Base-Base interactions energy: -6.284 where: short stacking energy: -6.284 Base-Backbone interact. energy: -0.000 local terms energy: -17.040568 where: bonds (distance) C4'-P energy: -2.085 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.750 flat angles P-C4'-P energy: -2.810 tors. eta vs tors. theta energy: -2.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -19.784481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.784481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.784481 (E_RNA) where: Base-Base interactions energy: -4.103 where: short stacking energy: -4.103 Base-Backbone interact. energy: -0.007 local terms energy: -15.673980 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -3.726 flat angles C4'-P-C4' energy: -3.663 flat angles P-C4'-P energy: -1.596 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: 10, replica: 4 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -22.298559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.298559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.298559 (E_RNA) where: Base-Base interactions energy: -6.193 where: short stacking energy: -6.193 Base-Backbone interact. energy: -0.005 local terms energy: -16.101372 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -2.809 flat angles P-C4'-P energy: -2.393 tors. eta vs tors. theta energy: -2.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -25.999353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.999353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.999353 (E_RNA) where: Base-Base interactions energy: -7.224 where: short stacking energy: -7.224 Base-Backbone interact. energy: -0.067 local terms energy: -18.708233 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.114 flat angles P-C4'-P energy: -3.338 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: 6 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -25.603256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.603256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.603256 (E_RNA) where: Base-Base interactions energy: -11.630 where: short stacking energy: -11.630 Base-Backbone interact. energy: -0.063 local terms energy: -13.910095 where: bonds (distance) C4'-P energy: -2.146 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.450 flat angles P-C4'-P energy: -1.820 tors. eta vs tors. theta energy: -0.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -23.873997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.873997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.873997 (E_RNA) where: Base-Base interactions energy: -6.188 where: short stacking energy: -6.188 Base-Backbone interact. energy: -0.000 local terms energy: -17.686326 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.311 flat angles C4'-P-C4' energy: -3.773 flat angles P-C4'-P energy: -3.701 tors. eta vs tors. theta energy: -2.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -25.634041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.634041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.634041 (E_RNA) where: Base-Base interactions energy: -10.787 where: short stacking energy: -10.787 Base-Backbone interact. energy: -0.003 local terms energy: -14.844005 where: bonds (distance) C4'-P energy: -3.380 bonds (distance) P-C4' energy: -3.578 flat angles C4'-P-C4' energy: -4.325 flat angles P-C4'-P energy: -2.129 tors. eta vs tors. theta energy: -1.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -27.280304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.280304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.280304 (E_RNA) where: Base-Base interactions energy: -7.427 where: short stacking energy: -7.427 Base-Backbone interact. energy: -0.000 local terms energy: -19.853584 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.587 flat angles P-C4'-P energy: -3.393 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: 6, replica: 10 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -22.579054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.579054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.579054 (E_RNA) where: Base-Base interactions energy: -6.476 where: short stacking energy: -6.476 Base-Backbone interact. energy: -0.000 local terms energy: -16.102547 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.497 flat angles P-C4'-P energy: -3.433 tors. eta vs tors. theta energy: 0.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -21.703683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.703683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.703683 (E_RNA) where: Base-Base interactions energy: -4.398 where: short stacking energy: -4.398 Base-Backbone interact. energy: -0.053 local terms energy: -17.253078 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.577 flat angles P-C4'-P energy: -2.719 tors. eta vs tors. theta energy: -1.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -22.985025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.985025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.985025 (E_RNA) where: Base-Base interactions energy: -4.219 where: short stacking energy: -4.219 Base-Backbone interact. energy: -0.037 local terms energy: -18.729261 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -4.104 flat angles P-C4'-P energy: -3.843 tors. eta vs tors. theta energy: -2.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -24.000986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.000986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.000986 (E_RNA) where: Base-Base interactions energy: -8.398 where: short stacking energy: -8.398 Base-Backbone interact. energy: -0.000 local terms energy: -15.602979 where: bonds (distance) C4'-P energy: -3.161 bonds (distance) P-C4' energy: -3.553 flat angles C4'-P-C4' energy: -2.876 flat angles P-C4'-P energy: -3.057 tors. eta vs tors. theta energy: -2.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -24.088524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.088524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.088524 (E_RNA) where: Base-Base interactions energy: -5.106 where: short stacking energy: -5.106 Base-Backbone interact. energy: -0.000 local terms energy: -18.982976 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -3.069 flat angles P-C4'-P energy: -2.874 tors. eta vs tors. theta energy: -4.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -25.322170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.322170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.322170 (E_RNA) where: Base-Base interactions energy: -7.596 where: short stacking energy: -7.596 Base-Backbone interact. energy: -0.234 local terms energy: -17.491518 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.130 flat angles P-C4'-P energy: -4.061 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: 7 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -23.542221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.542221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.542221 (E_RNA) where: Base-Base interactions energy: -8.457 where: short stacking energy: -8.457 Base-Backbone interact. energy: -0.004 local terms energy: -15.080734 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.012 flat angles P-C4'-P energy: -2.345 tors. eta vs tors. theta energy: -0.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -26.684109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.684109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.684109 (E_RNA) where: Base-Base interactions energy: -8.247 where: short stacking energy: -8.247 Base-Backbone interact. energy: -0.000 local terms energy: -18.437318 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.556 flat angles P-C4'-P energy: -2.589 tors. eta vs tors. theta energy: -3.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -22.493169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.493169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.493169 (E_RNA) where: Base-Base interactions energy: -4.822 where: short stacking energy: -4.822 Base-Backbone interact. energy: -0.009 local terms energy: -17.662008 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.430 flat angles P-C4'-P energy: -2.304 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: 5 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -23.311774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.311774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.311774 (E_RNA) where: Base-Base interactions energy: -8.254 where: short stacking energy: -8.254 Base-Backbone interact. energy: -0.063 local terms energy: -14.995106 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -3.223 flat angles P-C4'-P energy: -1.976 tors. eta vs tors. theta energy: -0.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -24.150281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.150281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.150281 (E_RNA) where: Base-Base interactions energy: -6.768 where: short stacking energy: -6.768 Base-Backbone interact. energy: -0.012 local terms energy: -17.370380 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.064 flat angles P-C4'-P energy: -3.594 tors. eta vs tors. theta energy: -0.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -24.691700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.691700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.691700 (E_RNA) where: Base-Base interactions energy: -5.607 where: short stacking energy: -5.607 Base-Backbone interact. energy: -0.005 local terms energy: -19.079852 where: bonds (distance) C4'-P energy: -3.939 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.223 flat angles P-C4'-P energy: -2.971 tors. eta vs tors. theta energy: -2.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -20.952513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.952513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.952513 (E_RNA) where: Base-Base interactions energy: -4.227 where: short stacking energy: -4.227 Base-Backbone interact. energy: -0.000 local terms energy: -16.725792 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.379 flat angles P-C4'-P energy: -2.606 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: 9, replica: 8 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -22.557025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.557025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.557025 (E_RNA) where: Base-Base interactions energy: -7.649 where: short stacking energy: -7.649 Base-Backbone interact. energy: -0.006 local terms energy: -14.901766 where: bonds (distance) C4'-P energy: -2.581 bonds (distance) P-C4' energy: -3.329 flat angles C4'-P-C4' energy: -4.510 flat angles P-C4'-P energy: -3.411 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: 1 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -20.837549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.837549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.837549 (E_RNA) where: Base-Base interactions energy: -3.153 where: short stacking energy: -3.153 Base-Backbone interact. energy: -0.000 local terms energy: -17.684293 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.118 flat angles P-C4'-P energy: -3.453 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: 7 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -26.333064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.333064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.333064 (E_RNA) where: Base-Base interactions energy: -9.604 where: short stacking energy: -9.604 Base-Backbone interact. energy: -0.000 local terms energy: -16.728639 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -3.643 flat angles C4'-P-C4' energy: -3.966 flat angles P-C4'-P energy: -3.910 tors. eta vs tors. theta energy: -1.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -25.266106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.266106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.266106 (E_RNA) where: Base-Base interactions energy: -7.538 where: short stacking energy: -7.538 Base-Backbone interact. energy: -0.000 local terms energy: -17.728223 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -3.980 flat angles P-C4'-P energy: -3.468 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: 3, replica: 2 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -27.974660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.974660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.974660 (E_RNA) where: Base-Base interactions energy: -10.365 where: short stacking energy: -10.365 Base-Backbone interact. energy: -0.000 local terms energy: -17.609600 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: -1.427 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: 4, replica: 6 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -32.553031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.553031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.553031 (E_RNA) where: Base-Base interactions energy: -11.445 where: short stacking energy: -11.445 Base-Backbone interact. energy: -0.000 local terms energy: -21.107784 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.324 flat angles P-C4'-P energy: -2.714 tors. eta vs tors. theta energy: -4.962 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: 162 Temperature: 1.100000 Total energy: -26.010207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.010207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.010207 (E_RNA) where: Base-Base interactions energy: -7.563 where: short stacking energy: -7.563 Base-Backbone interact. energy: -0.000 local terms energy: -18.447477 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.486 flat angles P-C4'-P energy: -3.452 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: 6, replica: 5 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -21.029705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.029705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.029705 (E_RNA) where: Base-Base interactions energy: -6.057 where: short stacking energy: -6.057 Base-Backbone interact. energy: -0.000 local terms energy: -14.972374 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -1.326 flat angles P-C4'-P energy: -2.754 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: 7, replica: 4 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -20.134386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.134386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.134386 (E_RNA) where: Base-Base interactions energy: -5.581 where: short stacking energy: -5.581 Base-Backbone interact. energy: -0.003 local terms energy: -14.550688 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -3.393 flat angles P-C4'-P energy: -2.358 tors. eta vs tors. theta energy: 0.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -20.032594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.032594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.032594 (E_RNA) where: Base-Base interactions energy: -4.310 where: short stacking energy: -4.310 Base-Backbone interact. energy: -0.000 local terms energy: -15.722604 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -3.665 flat angles P-C4'-P energy: -2.956 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: 9, replica: 1 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -21.413418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.413418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.413418 (E_RNA) where: Base-Base interactions energy: -4.599 where: short stacking energy: -4.599 Base-Backbone interact. energy: -0.021 local terms energy: -16.793054 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -2.811 flat angles P-C4'-P energy: -3.441 tors. eta vs tors. theta energy: -1.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -21.859550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.859550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.859550 (E_RNA) where: Base-Base interactions energy: -6.661 where: short stacking energy: -6.661 Base-Backbone interact. energy: -0.002 local terms energy: -15.196587 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -3.683 flat angles C4'-P-C4' energy: -4.034 flat angles P-C4'-P energy: -1.980 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: 1, replica: 7 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -29.332017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.332017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.332017 (E_RNA) where: Base-Base interactions energy: -10.475 where: short stacking energy: -10.475 Base-Backbone interact. energy: -0.000 local terms energy: -18.857112 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.305 flat angles P-C4'-P energy: -2.973 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: 2, replica: 2 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -29.681875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.681875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.681875 (E_RNA) where: Base-Base interactions energy: -11.808 where: short stacking energy: -11.808 Base-Backbone interact. energy: -0.000 local terms energy: -17.874006 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -3.529 flat angles C4'-P-C4' energy: -4.207 flat angles P-C4'-P energy: -2.581 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: 3, replica: 3 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -24.456065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.456065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.456065 (E_RNA) where: Base-Base interactions energy: -7.110 where: short stacking energy: -7.110 Base-Backbone interact. energy: -0.000 local terms energy: -17.346168 where: bonds (distance) C4'-P energy: -3.070 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.468 flat angles P-C4'-P energy: -3.424 tors. eta vs tors. theta energy: -1.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -25.356505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.356505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.356505 (E_RNA) where: Base-Base interactions energy: -7.501 where: short stacking energy: -7.501 Base-Backbone interact. energy: -0.000 local terms energy: -17.855705 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -2.791 flat angles P-C4'-P energy: -2.094 tors. eta vs tors. theta energy: -4.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -25.973026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.973026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.973026 (E_RNA) where: Base-Base interactions energy: -11.283 where: short stacking energy: -11.283 Base-Backbone interact. energy: -0.000 local terms energy: -14.690220 where: bonds (distance) C4'-P energy: -3.673 bonds (distance) P-C4' energy: -3.786 flat angles C4'-P-C4' energy: -4.453 flat angles P-C4'-P energy: -1.414 tors. eta vs tors. theta energy: -1.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -23.438201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.438201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.438201 (E_RNA) where: Base-Base interactions energy: -6.514 where: short stacking energy: -6.514 Base-Backbone interact. energy: -0.004 local terms energy: -16.920596 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.535 flat angles P-C4'-P energy: -1.676 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: 7, replica: 5 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -20.073379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.073379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.073379 (E_RNA) where: Base-Base interactions energy: -5.235 where: short stacking energy: -5.235 Base-Backbone interact. energy: -0.000 local terms energy: -14.838152 where: bonds (distance) C4'-P energy: -2.449 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.114 flat angles P-C4'-P energy: -1.929 tors. eta vs tors. theta energy: -0.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -24.004541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.004541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.004541 (E_RNA) where: Base-Base interactions energy: -7.735 where: short stacking energy: -7.735 Base-Backbone interact. energy: -0.008 local terms energy: -16.261418 where: bonds (distance) C4'-P energy: -2.962 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.906 flat angles P-C4'-P energy: -2.705 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: 163 Temperature: 1.300000 Total energy: -21.538743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.538743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.538743 (E_RNA) where: Base-Base interactions energy: -5.260 where: short stacking energy: -5.509 Base-Backbone interact. energy: 0.439 local terms energy: -16.718503 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -4.413 flat angles C4'-P-C4' energy: -3.585 flat angles P-C4'-P energy: -1.900 tors. eta vs tors. theta energy: -3.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -20.779744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.779744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.779744 (E_RNA) where: Base-Base interactions energy: -7.146 where: short stacking energy: -7.146 Base-Backbone interact. energy: -0.002 local terms energy: -13.631874 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.867 flat angles C4'-P-C4' energy: -3.991 flat angles P-C4'-P energy: -1.733 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: 1, replica: 7 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -31.847863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.847863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.847863 (E_RNA) where: Base-Base interactions energy: -11.819 where: short stacking energy: -11.819 Base-Backbone interact. energy: -0.000 local terms energy: -20.028785 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.026 flat angles P-C4'-P energy: -3.137 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: 2, replica: 2 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -25.200577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.200577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.200577 (E_RNA) where: Base-Base interactions energy: -7.044 where: short stacking energy: -7.044 Base-Backbone interact. energy: -0.000 local terms energy: -18.156518 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.657 flat angles P-C4'-P energy: -3.710 tors. eta vs tors. theta energy: -1.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -30.751751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.751751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.751751 (E_RNA) where: Base-Base interactions energy: -10.832 where: short stacking energy: -10.832 Base-Backbone interact. energy: -0.000 local terms energy: -19.919268 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -4.896 flat angles C4'-P-C4' energy: -4.433 flat angles P-C4'-P energy: -3.071 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: 3 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -24.857258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.857258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.857258 (E_RNA) where: Base-Base interactions energy: -8.380 where: short stacking energy: -8.380 Base-Backbone interact. energy: -0.028 local terms energy: -16.449088 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.433 flat angles P-C4'-P energy: -2.753 tors. eta vs tors. theta energy: -0.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -25.839130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.839130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.839130 (E_RNA) where: Base-Base interactions energy: -9.776 where: short stacking energy: -9.776 Base-Backbone interact. energy: -0.000 local terms energy: -16.063126 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -3.815 flat angles C4'-P-C4' energy: -4.471 flat angles P-C4'-P energy: -2.730 tors. eta vs tors. theta energy: -1.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -21.228882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.228882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.228882 (E_RNA) where: Base-Base interactions energy: -3.864 where: short stacking energy: -3.864 Base-Backbone interact. energy: -0.001 local terms energy: -17.363403 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -2.541 flat angles P-C4'-P energy: -2.653 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: 7, replica: 1 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -28.712352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.712352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.712352 (E_RNA) where: Base-Base interactions energy: -9.510 where: short stacking energy: -9.510 Base-Backbone interact. energy: -0.000 local terms energy: -19.202147 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -2.848 flat angles P-C4'-P energy: -3.122 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: 8, replica: 5 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -21.627052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.627052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.627052 (E_RNA) where: Base-Base interactions energy: -6.425 where: short stacking energy: -6.425 Base-Backbone interact. energy: -0.001 local terms energy: -15.201351 where: bonds (distance) C4'-P energy: -2.580 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.873 flat angles P-C4'-P energy: -3.433 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: 9, replica: 8 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -20.746298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.746298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.746298 (E_RNA) where: Base-Base interactions energy: -4.345 where: short stacking energy: -4.345 Base-Backbone interact. energy: -0.009 local terms energy: -16.392338 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -4.044 flat angles C4'-P-C4' energy: -3.566 flat angles P-C4'-P energy: -3.348 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: 10, replica: 10 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -18.840369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.840369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.840369 (E_RNA) where: Base-Base interactions energy: -5.996 where: short stacking energy: -5.996 Base-Backbone interact. energy: -0.000 local terms energy: -12.844060 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -3.414 flat angles C4'-P-C4' energy: -2.745 flat angles P-C4'-P energy: -1.085 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: 165 Temperature: 0.900000 Total energy: -28.093986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.093986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.093986 (E_RNA) where: Base-Base interactions energy: -11.609 where: short stacking energy: -11.609 Base-Backbone interact. energy: -0.000 local terms energy: -16.484721 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.153 flat angles P-C4'-P energy: -1.827 tors. eta vs tors. theta energy: -3.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -28.453334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.453334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.453334 (E_RNA) where: Base-Base interactions energy: -11.268 where: short stacking energy: -11.268 Base-Backbone interact. energy: -0.000 local terms energy: -17.185635 where: bonds (distance) C4'-P energy: -2.445 bonds (distance) P-C4' energy: -3.553 flat angles C4'-P-C4' energy: -4.035 flat angles P-C4'-P energy: -3.682 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: 3, replica: 2 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -27.805413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.805413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.805413 (E_RNA) where: Base-Base interactions energy: -8.157 where: short stacking energy: -8.157 Base-Backbone interact. energy: -0.040 local terms energy: -19.607969 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.869 flat angles P-C4'-P energy: -2.925 tors. eta vs tors. theta energy: -1.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -27.337221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.337221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.337221 (E_RNA) where: Base-Base interactions energy: -9.856 where: short stacking energy: -9.856 Base-Backbone interact. energy: -0.022 local terms energy: -17.458445 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -3.981 flat angles C4'-P-C4' energy: -4.216 flat angles P-C4'-P energy: -2.306 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: 5, replica: 3 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -24.168204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.168204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.168204 (E_RNA) where: Base-Base interactions energy: -6.391 where: short stacking energy: -6.391 Base-Backbone interact. energy: -0.055 local terms energy: -17.722981 where: bonds (distance) C4'-P energy: -3.045 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.025 flat angles P-C4'-P energy: -3.367 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: 6, replica: 1 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -27.385675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.385675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.385675 (E_RNA) where: Base-Base interactions energy: -10.774 where: short stacking energy: -10.774 Base-Backbone interact. energy: -0.000 local terms energy: -16.611994 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -2.779 flat angles P-C4'-P energy: -2.357 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: 7, replica: 6 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -23.884978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.884978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.884978 (E_RNA) where: Base-Base interactions energy: -5.464 where: short stacking energy: -5.464 Base-Backbone interact. energy: -0.000 local terms energy: -18.421086 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.265 flat angles P-C4'-P energy: -3.617 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: 8 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -25.390750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.390750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.390750 (E_RNA) where: Base-Base interactions energy: -7.618 where: short stacking energy: -7.618 Base-Backbone interact. energy: -0.000 local terms energy: -17.772919 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.697 flat angles P-C4'-P energy: -3.076 tors. eta vs tors. theta energy: -1.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -21.325830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.325830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.325830 (E_RNA) where: Base-Base interactions energy: -6.252 where: short stacking energy: -6.252 Base-Backbone interact. energy: -0.047 local terms energy: -15.026859 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.324 flat angles P-C4'-P energy: -1.561 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: 10, replica: 10 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -21.014193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.014193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.014193 (E_RNA) where: Base-Base interactions energy: -4.574 where: short stacking energy: -4.574 Base-Backbone interact. energy: -0.000 local terms energy: -16.440526 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -3.096 flat angles C4'-P-C4' energy: -3.910 flat angles P-C4'-P energy: -3.422 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: 7 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -29.989504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.989504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.989504 (E_RNA) where: Base-Base interactions energy: -11.911 where: short stacking energy: -12.084 Base-Backbone interact. energy: -0.000 local terms energy: -18.077654 where: bonds (distance) C4'-P energy: -4.063 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.466 flat angles P-C4'-P energy: -2.394 tors. eta vs tors. theta energy: -2.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -28.085173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.085173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.085173 (E_RNA) where: Base-Base interactions energy: -11.236 where: short stacking energy: -11.536 Base-Backbone interact. energy: -0.086 local terms energy: -16.762723 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.957 flat angles P-C4'-P energy: -1.564 tors. eta vs tors. theta energy: -2.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -23.993240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.993240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.993240 (E_RNA) where: Base-Base interactions energy: -6.878 where: short stacking energy: -6.878 Base-Backbone interact. energy: -0.003 local terms energy: -17.112222 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -5.104 flat angles C4'-P-C4' energy: -3.743 flat angles P-C4'-P energy: -2.638 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: 4, replica: 2 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -25.059223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.059223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.059223 (E_RNA) where: Base-Base interactions energy: -6.740 where: short stacking energy: -6.740 Base-Backbone interact. energy: -0.033 local terms energy: -18.285728 where: bonds (distance) C4'-P energy: -2.743 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.531 flat angles P-C4'-P energy: -3.488 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: 5, replica: 1 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -23.778474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.778474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.778474 (E_RNA) where: Base-Base interactions energy: -4.224 where: short stacking energy: -4.224 Base-Backbone interact. energy: -0.000 local terms energy: -19.554401 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.104 flat angles P-C4'-P energy: -3.862 tors. eta vs tors. theta energy: -2.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -21.022178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.022178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.022178 (E_RNA) where: Base-Base interactions energy: -4.914 where: short stacking energy: -5.285 Base-Backbone interact. energy: -0.144 local terms energy: -15.964325 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -2.594 flat angles P-C4'-P energy: -3.551 tors. eta vs tors. theta energy: 0.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -23.076779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.076779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.076779 (E_RNA) where: Base-Base interactions energy: -8.745 where: short stacking energy: -8.745 Base-Backbone interact. energy: -0.099 local terms energy: -14.232508 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -2.898 flat angles C4'-P-C4' energy: -3.494 flat angles P-C4'-P energy: -2.590 tors. eta vs tors. theta energy: -0.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -23.528571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.528571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.528571 (E_RNA) where: Base-Base interactions energy: -7.354 where: short stacking energy: -7.354 Base-Backbone interact. energy: -0.000 local terms energy: -16.174301 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -4.205 flat angles C4'-P-C4' energy: -4.051 flat angles P-C4'-P energy: -2.394 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: 9, replica: 10 ===================================== Write number: 166 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: -3.257 where: short stacking energy: -3.257 Base-Backbone interact. energy: -0.032 local terms energy: -18.292658 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.609 flat angles P-C4'-P energy: -3.340 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: 10, replica: 5 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -22.294543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.294543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.294543 (E_RNA) where: Base-Base interactions energy: -5.824 where: short stacking energy: -5.824 Base-Backbone interact. energy: -0.087 local terms energy: -16.382722 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.662 flat angles P-C4'-P energy: -1.940 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: 7 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -26.521318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.521318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.521318 (E_RNA) where: Base-Base interactions energy: -8.164 where: short stacking energy: -8.164 Base-Backbone interact. energy: -0.000 local terms energy: -18.357410 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.601 flat angles P-C4'-P energy: -3.958 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: 2, replica: 4 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -24.239091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.239091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.239091 (E_RNA) where: Base-Base interactions energy: -6.885 where: short stacking energy: -6.885 Base-Backbone interact. energy: -0.053 local terms energy: -17.300727 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.274 flat angles P-C4'-P energy: -3.376 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: 9 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -26.374077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.374077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.374077 (E_RNA) where: Base-Base interactions energy: -7.623 where: short stacking energy: -7.623 Base-Backbone interact. energy: -0.000 local terms energy: -18.750321 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.113 flat angles P-C4'-P energy: -3.235 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: 4, replica: 1 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -24.712403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.712403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.712403 (E_RNA) where: Base-Base interactions energy: -7.410 where: short stacking energy: -7.410 Base-Backbone interact. energy: -0.081 local terms energy: -17.221219 where: bonds (distance) C4'-P energy: -3.761 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.325 flat angles P-C4'-P energy: -3.559 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: 5, replica: 2 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -22.755698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.755698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.755698 (E_RNA) where: Base-Base interactions energy: -7.796 where: short stacking energy: -7.796 Base-Backbone interact. energy: -0.054 local terms energy: -14.905490 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -4.044 flat angles C4'-P-C4' energy: -3.837 flat angles P-C4'-P energy: -3.469 tors. eta vs tors. theta energy: 0.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -22.807774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.807774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.807774 (E_RNA) where: Base-Base interactions energy: -3.265 where: short stacking energy: -3.265 Base-Backbone interact. energy: -0.025 local terms energy: -19.517708 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.080 flat angles P-C4'-P energy: -3.318 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: 7, replica: 3 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -20.841539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.841539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.841539 (E_RNA) where: Base-Base interactions energy: -5.839 where: short stacking energy: -5.839 Base-Backbone interact. energy: -0.010 local terms energy: -14.991865 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.917 flat angles P-C4'-P energy: -2.158 tors. eta vs tors. theta energy: -0.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -22.557330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.557330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.557330 (E_RNA) where: Base-Base interactions energy: -7.333 where: short stacking energy: -7.333 Base-Backbone interact. energy: -0.000 local terms energy: -15.223863 where: bonds (distance) C4'-P energy: -2.299 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.485 flat angles P-C4'-P energy: -2.756 tors. eta vs tors. theta energy: -0.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -20.177972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.177972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.177972 (E_RNA) where: Base-Base interactions energy: -7.548 where: short stacking energy: -7.548 Base-Backbone interact. energy: -0.001 local terms energy: -12.628850 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.470 flat angles P-C4'-P energy: -0.402 tors. eta vs tors. theta energy: 0.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -26.531491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.531491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.531491 (E_RNA) where: Base-Base interactions energy: -8.439 where: short stacking energy: -8.439 Base-Backbone interact. energy: -0.000 local terms energy: -18.092180 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -3.969 flat angles C4'-P-C4' energy: -4.168 flat angles P-C4'-P energy: -2.422 tors. eta vs tors. theta energy: -3.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -30.790336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.790336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.790336 (E_RNA) where: Base-Base interactions energy: -9.649 where: short stacking energy: -9.649 Base-Backbone interact. energy: -0.001 local terms energy: -21.140681 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.325 flat angles P-C4'-P energy: -3.865 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: 2, replica: 7 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -24.624889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.624889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.624889 (E_RNA) where: Base-Base interactions energy: -6.798 where: short stacking energy: -6.798 Base-Backbone interact. energy: -0.020 local terms energy: -17.806804 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.206 flat angles P-C4'-P energy: -3.426 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: 1 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -21.871746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.871746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.871746 (E_RNA) where: Base-Base interactions energy: -3.870 where: short stacking energy: -3.870 Base-Backbone interact. energy: -0.006 local terms energy: -17.995615 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -3.674 flat angles P-C4'-P energy: -3.258 tors. eta vs tors. theta energy: -2.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -24.306204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.306204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.306204 (E_RNA) where: Base-Base interactions energy: -5.388 where: short stacking energy: -5.388 Base-Backbone interact. energy: -1.277 local terms energy: -17.641425 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.095 flat angles P-C4'-P energy: -3.253 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: 5, replica: 8 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -23.698658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.698658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.698658 (E_RNA) where: Base-Base interactions energy: -7.798 where: short stacking energy: -7.798 Base-Backbone interact. energy: -0.069 local terms energy: -15.830990 where: bonds (distance) C4'-P energy: -3.202 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.570 flat angles P-C4'-P energy: -3.036 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: 6, replica: 2 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -21.612520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.612520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.612520 (E_RNA) where: Base-Base interactions energy: -3.049 where: short stacking energy: -3.049 Base-Backbone interact. energy: -0.053 local terms energy: -18.510263 where: bonds (distance) C4'-P energy: -3.406 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.907 flat angles P-C4'-P energy: -3.843 tors. eta vs tors. theta energy: -2.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -22.009581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.009581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.009581 (E_RNA) where: Base-Base interactions energy: -7.437 where: short stacking energy: -7.437 Base-Backbone interact. energy: -0.000 local terms energy: -14.572303 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -3.033 flat angles P-C4'-P energy: -1.823 tors. eta vs tors. theta energy: -0.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -19.065799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.065799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.065799 (E_RNA) where: Base-Base interactions energy: -4.535 where: short stacking energy: -4.535 Base-Backbone interact. energy: -0.000 local terms energy: -14.530777 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -3.461 flat angles P-C4'-P energy: -2.117 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: 5 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -21.854644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.854644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.854644 (E_RNA) where: Base-Base interactions energy: -3.912 where: short stacking energy: -3.912 Base-Backbone interact. energy: -0.002 local terms energy: -17.941097 where: bonds (distance) C4'-P energy: -2.954 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.240 flat angles P-C4'-P energy: -3.530 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: 10, replica: 6 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -20.375969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.375969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.375969 (E_RNA) where: Base-Base interactions energy: -5.586 where: short stacking energy: -5.586 Base-Backbone interact. energy: -0.786 local terms energy: -14.003860 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -3.786 flat angles C4'-P-C4' energy: -3.166 flat angles P-C4'-P energy: -2.282 tors. eta vs tors. theta energy: -0.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -31.657679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.657679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.657679 (E_RNA) where: Base-Base interactions energy: -10.830 where: short stacking energy: -10.830 Base-Backbone interact. energy: -0.000 local terms energy: -20.827185 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.281 flat angles P-C4'-P energy: -3.588 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: 2, replica: 1 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -26.257667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.257667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.257667 (E_RNA) where: Base-Base interactions energy: -6.824 where: short stacking energy: -6.824 Base-Backbone interact. energy: -0.000 local terms energy: -19.433245 where: bonds (distance) C4'-P energy: -3.016 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.887 flat angles P-C4'-P energy: -2.252 tors. eta vs tors. theta energy: -5.160 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: 7 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -28.262130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.262130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.262130 (E_RNA) where: Base-Base interactions energy: -9.307 where: short stacking energy: -9.307 Base-Backbone interact. energy: -0.000 local terms energy: -18.954823 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.680 flat angles P-C4'-P energy: -1.910 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: 4, replica: 8 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -22.775864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.775864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.775864 (E_RNA) where: Base-Base interactions energy: -2.845 where: short stacking energy: -2.845 Base-Backbone interact. energy: -0.020 local terms energy: -19.911085 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.182 flat angles P-C4'-P energy: -3.765 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: 5, replica: 9 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -20.834573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.834573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.834573 (E_RNA) where: Base-Base interactions energy: -4.296 where: short stacking energy: -4.296 Base-Backbone interact. energy: -0.000 local terms energy: -16.538168 where: bonds (distance) C4'-P energy: -3.045 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -4.311 flat angles P-C4'-P energy: -2.540 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: 6, replica: 10 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -24.936781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.936781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.936781 (E_RNA) where: Base-Base interactions energy: -8.583 where: short stacking energy: -8.583 Base-Backbone interact. energy: -0.000 local terms energy: -16.353735 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.434 flat angles P-C4'-P energy: -2.266 tors. eta vs tors. theta energy: -0.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -23.871617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.871617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.871617 (E_RNA) where: Base-Base interactions energy: -7.956 where: short stacking energy: -7.956 Base-Backbone interact. energy: -0.013 local terms energy: -15.902510 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -3.197 flat angles P-C4'-P energy: -0.699 tors. eta vs tors. theta energy: -3.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -21.774548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.774548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.774548 (E_RNA) where: Base-Base interactions energy: -7.126 where: short stacking energy: -7.126 Base-Backbone interact. energy: -0.029 local terms energy: -14.619761 where: bonds (distance) C4'-P energy: -3.861 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.176 flat angles P-C4'-P energy: -2.751 tors. eta vs tors. theta energy: 0.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -22.431657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.431657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.431657 (E_RNA) where: Base-Base interactions energy: -7.492 where: short stacking energy: -7.492 Base-Backbone interact. energy: -0.001 local terms energy: -14.938905 where: bonds (distance) C4'-P energy: -3.567 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -4.043 flat angles P-C4'-P energy: -0.500 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: 10, replica: 6 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -22.523946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.523946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.523946 (E_RNA) where: Base-Base interactions energy: -7.940 where: short stacking energy: -7.940 Base-Backbone interact. energy: -0.001 local terms energy: -14.583222 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -1.781 flat angles P-C4'-P energy: -0.053 tors. eta vs tors. theta energy: -3.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -29.667981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.667981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.667981 (E_RNA) where: Base-Base interactions energy: -9.622 where: short stacking energy: -9.622 Base-Backbone interact. energy: -0.000 local terms energy: -20.045595 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.256 flat angles P-C4'-P energy: -2.994 tors. eta vs tors. theta energy: -3.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -30.599318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.599318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.599318 (E_RNA) where: Base-Base interactions energy: -11.232 where: short stacking energy: -11.232 Base-Backbone interact. energy: -0.004 local terms energy: -19.363550 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.758 flat angles P-C4'-P energy: -3.097 tors. eta vs tors. theta energy: -3.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -26.985768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.985768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.985768 (E_RNA) where: Base-Base interactions energy: -7.440 where: short stacking energy: -7.879 Base-Backbone interact. energy: -0.002 local terms energy: -19.543351 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.599 flat angles P-C4'-P energy: -2.950 tors. eta vs tors. theta energy: -2.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -25.388962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.388962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.388962 (E_RNA) where: Base-Base interactions energy: -7.318 where: short stacking energy: -7.318 Base-Backbone interact. energy: -0.000 local terms energy: -18.070391 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -3.324 flat angles C4'-P-C4' energy: -4.042 flat angles P-C4'-P energy: -3.929 tors. eta vs tors. theta energy: -2.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -27.817133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.817133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.817133 (E_RNA) where: Base-Base interactions energy: -10.443 where: short stacking energy: -10.443 Base-Backbone interact. energy: -0.000 local terms energy: -17.374375 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -3.557 flat angles C4'-P-C4' energy: -3.852 flat angles P-C4'-P energy: -2.824 tors. eta vs tors. theta energy: -2.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -22.633784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.633784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.633784 (E_RNA) where: Base-Base interactions energy: -5.288 where: short stacking energy: -5.288 Base-Backbone interact. energy: -0.006 local terms energy: -17.340506 where: bonds (distance) C4'-P energy: -3.152 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.049 flat angles P-C4'-P energy: -3.862 tors. eta vs tors. theta energy: -1.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -24.925870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.925870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.925870 (E_RNA) where: Base-Base interactions energy: -9.024 where: short stacking energy: -9.024 Base-Backbone interact. energy: 1.417 local terms energy: -17.318787 where: bonds (distance) C4'-P energy: -3.417 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.928 flat angles P-C4'-P energy: -3.262 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: 8, replica: 2 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -24.263113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.263113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.263113 (E_RNA) where: Base-Base interactions energy: -7.569 where: short stacking energy: -7.569 Base-Backbone interact. energy: -0.000 local terms energy: -16.693496 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.491 flat angles P-C4'-P energy: -3.306 tors. eta vs tors. theta energy: -0.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -20.313677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.313677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.313677 (E_RNA) where: Base-Base interactions energy: -4.484 where: short stacking energy: -4.851 Base-Backbone interact. energy: -0.055 local terms energy: -15.774629 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.307 flat angles P-C4'-P energy: -0.865 tors. eta vs tors. theta energy: -2.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -19.089677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.089677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.089677 (E_RNA) where: Base-Base interactions energy: -2.685 where: short stacking energy: -3.637 Base-Backbone interact. energy: -0.038 local terms energy: -16.367418 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.600 flat angles P-C4'-P energy: -2.262 tors. eta vs tors. theta energy: -0.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -26.913938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.913938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.913938 (E_RNA) where: Base-Base interactions energy: -7.649 where: short stacking energy: -7.649 Base-Backbone interact. energy: -0.016 local terms energy: -19.249069 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.750 flat angles P-C4'-P energy: -3.625 tors. eta vs tors. theta energy: -1.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -25.199633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.199633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.199633 (E_RNA) where: Base-Base interactions energy: -9.938 where: short stacking energy: -9.938 Base-Backbone interact. energy: -0.000 local terms energy: -15.261115 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.647 flat angles P-C4'-P energy: -0.494 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: 4 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -22.503634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.503634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.503634 (E_RNA) where: Base-Base interactions energy: -6.562 where: short stacking energy: -6.562 Base-Backbone interact. energy: -0.022 local terms energy: -15.919056 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -3.751 flat angles C4'-P-C4' energy: -4.432 flat angles P-C4'-P energy: -3.419 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: 4, replica: 7 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -28.235063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.235063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.235063 (E_RNA) where: Base-Base interactions energy: -10.641 where: short stacking energy: -10.641 Base-Backbone interact. energy: -0.000 local terms energy: -17.593960 where: bonds (distance) C4'-P energy: -4.742 bonds (distance) P-C4' energy: -4.370 flat angles C4'-P-C4' energy: -3.492 flat angles P-C4'-P energy: -3.598 tors. eta vs tors. theta energy: -1.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -24.571256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.571256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.571256 (E_RNA) where: Base-Base interactions energy: -6.509 where: short stacking energy: -6.509 Base-Backbone interact. energy: -0.035 local terms energy: -18.026737 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -3.553 flat angles C4'-P-C4' energy: -4.765 flat angles P-C4'-P energy: -3.751 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: 6, replica: 5 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -23.853040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.853040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.853040 (E_RNA) where: Base-Base interactions energy: -6.307 where: short stacking energy: -6.307 Base-Backbone interact. energy: -0.041 local terms energy: -17.505237 where: bonds (distance) C4'-P energy: -4.009 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.607 flat angles P-C4'-P energy: -3.538 tors. eta vs tors. theta energy: -0.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -22.648545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.648545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.648545 (E_RNA) where: Base-Base interactions energy: -6.362 where: short stacking energy: -6.362 Base-Backbone interact. energy: -0.000 local terms energy: -16.286592 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -3.869 flat angles P-C4'-P energy: -2.535 tors. eta vs tors. theta energy: -1.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -20.503822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.503822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.503822 (E_RNA) where: Base-Base interactions energy: -6.535 where: short stacking energy: -6.535 Base-Backbone interact. energy: -0.002 local terms energy: -13.966737 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -3.494 flat angles C4'-P-C4' energy: -3.273 flat angles P-C4'-P energy: -2.125 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: 9, replica: 2 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -21.715784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.715784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.715784 (E_RNA) where: Base-Base interactions energy: -5.400 where: short stacking energy: -5.400 Base-Backbone interact. energy: -0.000 local terms energy: -16.315657 where: bonds (distance) C4'-P energy: -3.487 bonds (distance) P-C4' energy: -4.575 flat angles C4'-P-C4' energy: -3.798 flat angles P-C4'-P energy: -2.554 tors. eta vs tors. theta energy: -1.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -21.429298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.429298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.429298 (E_RNA) where: Base-Base interactions energy: -6.233 where: short stacking energy: -6.233 Base-Backbone interact. energy: -0.095 local terms energy: -15.101891 where: bonds (distance) C4'-P energy: -1.959 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -2.896 flat angles P-C4'-P energy: -3.506 tors. eta vs tors. theta energy: -1.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -29.616605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.616605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.616605 (E_RNA) where: Base-Base interactions energy: -11.493 where: short stacking energy: -11.493 Base-Backbone interact. energy: -0.000 local terms energy: -18.124097 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -3.786 flat angles C4'-P-C4' energy: -3.802 flat angles P-C4'-P energy: -2.278 tors. eta vs tors. theta energy: -3.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -29.709662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.709662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.709662 (E_RNA) where: Base-Base interactions energy: -9.537 where: short stacking energy: -9.537 Base-Backbone interact. energy: -0.000 local terms energy: -20.172412 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.839 flat angles C4'-P-C4' energy: -3.258 flat angles P-C4'-P energy: -4.061 tors. eta vs tors. theta energy: -3.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -23.158921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.158921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.158921 (E_RNA) where: Base-Base interactions energy: -8.113 where: short stacking energy: -8.113 Base-Backbone interact. energy: -0.000 local terms energy: -15.045599 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.491 flat angles P-C4'-P energy: -0.340 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: 4, replica: 4 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -26.812068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.812068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.812068 (E_RNA) where: Base-Base interactions energy: -8.901 where: short stacking energy: -8.901 Base-Backbone interact. energy: -0.000 local terms energy: -17.911109 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -2.697 flat angles P-C4'-P energy: -3.403 tors. eta vs tors. theta energy: -2.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -23.041713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.041713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.041713 (E_RNA) where: Base-Base interactions energy: -5.963 where: short stacking energy: -5.974 Base-Backbone interact. energy: -0.013 local terms energy: -17.065927 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.320 flat angles P-C4'-P energy: -1.936 tors. eta vs tors. theta energy: -1.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -24.681159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.681159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.681159 (E_RNA) where: Base-Base interactions energy: -7.041 where: short stacking energy: -7.041 Base-Backbone interact. energy: -0.000 local terms energy: -17.640468 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -2.419 flat angles C4'-P-C4' energy: -4.668 flat angles P-C4'-P energy: -3.124 tors. eta vs tors. theta energy: -3.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -21.509166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.509166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.509166 (E_RNA) where: Base-Base interactions energy: -3.721 where: short stacking energy: -3.721 Base-Backbone interact. energy: -0.017 local terms energy: -17.771492 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.452 flat angles P-C4'-P energy: -2.058 tors. eta vs tors. theta energy: -1.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -23.871760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.871760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.871760 (E_RNA) where: Base-Base interactions energy: -7.029 where: short stacking energy: -7.029 Base-Backbone interact. energy: -0.000 local terms energy: -16.843254 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -4.392 flat angles C4'-P-C4' energy: -3.885 flat angles P-C4'-P energy: -1.462 tors. eta vs tors. theta energy: -2.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -18.863850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.863850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.863850 (E_RNA) where: Base-Base interactions energy: -3.428 where: short stacking energy: -3.428 Base-Backbone interact. energy: -0.004 local terms energy: -15.432598 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.959 flat angles P-C4'-P energy: -1.983 tors. eta vs tors. theta energy: 0.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -18.049924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.049924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.049924 (E_RNA) where: Base-Base interactions energy: -1.138 where: short stacking energy: -1.138 Base-Backbone interact. energy: -0.030 local terms energy: -16.881780 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.606 flat angles P-C4'-P energy: -2.918 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: 8 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -27.309711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.309711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.309711 (E_RNA) where: Base-Base interactions energy: -7.080 where: short stacking energy: -7.080 Base-Backbone interact. energy: -0.000 local terms energy: -20.229844 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.572 flat angles P-C4'-P energy: -2.906 tors. eta vs tors. theta energy: -4.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -22.999521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.999521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.999521 (E_RNA) where: Base-Base interactions energy: -7.085 where: short stacking energy: -7.112 Base-Backbone interact. energy: -0.002 local terms energy: -15.912085 where: bonds (distance) C4'-P energy: -2.457 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -4.133 flat angles P-C4'-P energy: -1.842 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: 3, replica: 1 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -24.064817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.064817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.064817 (E_RNA) where: Base-Base interactions energy: -9.056 where: short stacking energy: -9.056 Base-Backbone interact. energy: -0.000 local terms energy: -15.008947 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -3.586 flat angles P-C4'-P energy: -2.202 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: 4, replica: 5 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -24.171176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.171176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.171176 (E_RNA) where: Base-Base interactions energy: -6.952 where: short stacking energy: -6.952 Base-Backbone interact. energy: 0.410 local terms energy: -17.629621 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.308 flat angles P-C4'-P energy: -3.561 tors. eta vs tors. theta energy: -0.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -23.152177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.152177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.152177 (E_RNA) where: Base-Base interactions energy: -7.616 where: short stacking energy: -7.616 Base-Backbone interact. energy: -0.001 local terms energy: -15.535657 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -3.336 flat angles C4'-P-C4' energy: -4.114 flat angles P-C4'-P energy: -2.222 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: 6, replica: 6 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -23.072226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.072226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.072226 (E_RNA) where: Base-Base interactions energy: -6.293 where: short stacking energy: -6.293 Base-Backbone interact. energy: -0.000 local terms energy: -16.778632 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.938 flat angles P-C4'-P energy: -1.039 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: 7, replica: 10 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -23.186432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.186432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.186432 (E_RNA) where: Base-Base interactions energy: -6.890 where: short stacking energy: -6.890 Base-Backbone interact. energy: -0.001 local terms energy: -16.295245 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -3.110 flat angles C4'-P-C4' energy: -4.647 flat angles P-C4'-P energy: -3.136 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: 8, replica: 3 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -21.905677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.905677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.905677 (E_RNA) where: Base-Base interactions energy: -3.962 where: short stacking energy: -3.962 Base-Backbone interact. energy: -0.094 local terms energy: -17.849307 where: bonds (distance) C4'-P energy: -4.311 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.435 flat angles P-C4'-P energy: -2.762 tors. eta vs tors. theta energy: -0.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -20.480866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.480866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.480866 (E_RNA) where: Base-Base interactions energy: -6.861 where: short stacking energy: -6.861 Base-Backbone interact. energy: -0.001 local terms energy: -13.618416 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.358 flat angles P-C4'-P energy: -0.597 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: 2 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -21.425379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.425379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.425379 (E_RNA) where: Base-Base interactions energy: -6.049 where: short stacking energy: -4.529 Base-Backbone interact. energy: -0.070 local terms energy: -15.306439 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.358 flat angles P-C4'-P energy: -2.054 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: 1, replica: 7 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -26.256491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.256491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.256491 (E_RNA) where: Base-Base interactions energy: -8.057 where: short stacking energy: -8.057 Base-Backbone interact. energy: -0.074 local terms energy: -18.124808 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.935 flat angles P-C4'-P energy: -3.598 tors. eta vs tors. theta energy: -1.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -24.283254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.283254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.283254 (E_RNA) where: Base-Base interactions energy: -6.843 where: short stacking energy: -6.843 Base-Backbone interact. energy: -0.000 local terms energy: -17.440496 where: bonds (distance) C4'-P energy: -3.451 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -4.487 flat angles P-C4'-P energy: -1.805 tors. eta vs tors. theta energy: -3.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -25.609197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.609197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.609197 (E_RNA) where: Base-Base interactions energy: -8.206 where: short stacking energy: -8.206 Base-Backbone interact. energy: -0.000 local terms energy: -17.402951 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.250 flat angles P-C4'-P energy: -3.338 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: 4, replica: 1 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -24.391665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.391665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.391665 (E_RNA) where: Base-Base interactions energy: -7.995 where: short stacking energy: -8.454 Base-Backbone interact. energy: -0.000 local terms energy: -16.395742 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -3.426 flat angles C4'-P-C4' energy: -3.994 flat angles P-C4'-P energy: -2.392 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: 5, replica: 6 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -21.466070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.466070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.466070 (E_RNA) where: Base-Base interactions energy: -7.629 where: short stacking energy: -7.629 Base-Backbone interact. energy: -0.000 local terms energy: -13.836776 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -1.986 flat angles P-C4'-P energy: -1.825 tors. eta vs tors. theta energy: -0.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -23.050560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.050560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.050560 (E_RNA) where: Base-Base interactions energy: -3.584 where: short stacking energy: -3.584 Base-Backbone interact. energy: -0.000 local terms energy: -19.466264 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.409 flat angles P-C4'-P energy: -2.833 tors. eta vs tors. theta energy: -3.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -21.945486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.945486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.945486 (E_RNA) where: Base-Base interactions energy: -7.323 where: short stacking energy: -7.323 Base-Backbone interact. energy: -0.002 local terms energy: -14.620361 where: bonds (distance) C4'-P energy: -0.862 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.371 flat angles P-C4'-P energy: -2.528 tors. eta vs tors. theta energy: -1.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -22.653328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.653328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.653328 (E_RNA) where: Base-Base interactions energy: -4.642 where: short stacking energy: -4.642 Base-Backbone interact. energy: 0.536 local terms energy: -18.547526 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.102 flat angles P-C4'-P energy: -3.320 tors. eta vs tors. theta energy: -1.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -18.437212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.437212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.437212 (E_RNA) where: Base-Base interactions energy: -2.561 where: short stacking energy: -2.561 Base-Backbone interact. energy: -0.244 local terms energy: -15.631994 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.116 flat angles P-C4'-P energy: -1.975 tors. eta vs tors. theta energy: -0.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -23.365470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.365470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.365470 (E_RNA) where: Base-Base interactions energy: -7.861 where: short stacking energy: -7.861 Base-Backbone interact. energy: -0.000 local terms energy: -15.504024 where: bonds (distance) C4'-P energy: -2.573 bonds (distance) P-C4' energy: -4.579 flat angles C4'-P-C4' energy: -1.712 flat angles P-C4'-P energy: -3.265 tors. eta vs tors. theta energy: -3.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -26.539642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.539642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.539642 (E_RNA) where: Base-Base interactions energy: -8.258 where: short stacking energy: -8.355 Base-Backbone interact. energy: -0.099 local terms energy: -18.182533 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.363 flat angles P-C4'-P energy: -1.967 tors. eta vs tors. theta energy: -2.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -28.092487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.092487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.092487 (E_RNA) where: Base-Base interactions energy: -10.050 where: short stacking energy: -10.050 Base-Backbone interact. energy: -0.000 local terms energy: -18.042199 where: bonds (distance) C4'-P energy: -2.928 bonds (distance) P-C4' energy: -4.106 flat angles C4'-P-C4' energy: -4.261 flat angles P-C4'-P energy: -3.325 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: 3, replica: 8 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -25.735212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.735212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.735212 (E_RNA) where: Base-Base interactions energy: -6.874 where: short stacking energy: -6.874 Base-Backbone interact. energy: -0.000 local terms energy: -18.861256 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -4.487 flat angles P-C4'-P energy: -1.742 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: 4, replica: 6 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -19.812881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.812881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.812881 (E_RNA) where: Base-Base interactions energy: -4.632 where: short stacking energy: -4.632 Base-Backbone interact. energy: -0.001 local terms energy: -15.179418 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -3.930 flat angles P-C4'-P energy: -0.927 tors. eta vs tors. theta energy: -1.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -24.623427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.623427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.623427 (E_RNA) where: Base-Base interactions energy: -7.003 where: short stacking energy: -7.003 Base-Backbone interact. energy: -0.000 local terms energy: -17.620214 where: bonds (distance) C4'-P energy: -3.708 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.661 flat angles P-C4'-P energy: -2.490 tors. eta vs tors. theta energy: -1.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -24.455219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.455219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.455219 (E_RNA) where: Base-Base interactions energy: -9.706 where: short stacking energy: -9.706 Base-Backbone interact. energy: -0.000 local terms energy: -14.749435 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -4.909 flat angles P-C4'-P energy: -2.258 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: 7, replica: 4 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -20.972765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.972765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.972765 (E_RNA) where: Base-Base interactions energy: -7.270 where: short stacking energy: -7.270 Base-Backbone interact. energy: -0.003 local terms energy: -13.699422 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -1.811 flat angles P-C4'-P energy: -2.670 tors. eta vs tors. theta energy: 0.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -24.132623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.132623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.132623 (E_RNA) where: Base-Base interactions energy: -7.568 where: short stacking energy: -7.568 Base-Backbone interact. energy: -0.000 local terms energy: -16.564478 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -3.108 flat angles P-C4'-P energy: -3.412 tors. eta vs tors. theta energy: -1.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -21.351401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.351401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.351401 (E_RNA) where: Base-Base interactions energy: -6.586 where: short stacking energy: -6.586 Base-Backbone interact. energy: -0.000 local terms energy: -14.765720 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -3.708 flat angles C4'-P-C4' energy: -0.940 flat angles P-C4'-P energy: -2.769 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: 10, replica: 9 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -16.979046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -16.979046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -16.979046 (E_RNA) where: Base-Base interactions energy: -2.973 where: short stacking energy: -2.973 Base-Backbone interact. energy: -0.000 local terms energy: -14.006330 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.887 flat angles P-C4'-P energy: -0.244 tors. eta vs tors. theta energy: -0.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -28.692885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.692885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.692885 (E_RNA) where: Base-Base interactions energy: -11.358 where: short stacking energy: -11.358 Base-Backbone interact. energy: -0.012 local terms energy: -17.323072 where: bonds (distance) C4'-P energy: -3.397 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.176 flat angles P-C4'-P energy: -2.714 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: 2, replica: 7 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -24.877701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.877701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.877701 (E_RNA) where: Base-Base interactions energy: -6.972 where: short stacking energy: -6.972 Base-Backbone interact. energy: -0.000 local terms energy: -17.905631 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -1.206 flat angles P-C4'-P energy: -2.600 tors. eta vs tors. theta energy: -4.940 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: 6 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -24.788691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.788691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.788691 (E_RNA) where: Base-Base interactions energy: -9.414 where: short stacking energy: -9.414 Base-Backbone interact. energy: -0.000 local terms energy: -15.374806 where: bonds (distance) C4'-P energy: -2.387 bonds (distance) P-C4' energy: -3.373 flat angles C4'-P-C4' energy: -4.398 flat angles P-C4'-P energy: -3.950 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: 8 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -25.496572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.496572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.496572 (E_RNA) where: Base-Base interactions energy: -10.129 where: short stacking energy: -10.129 Base-Backbone interact. energy: -0.016 local terms energy: -15.351566 where: bonds (distance) C4'-P energy: -3.128 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -2.940 flat angles P-C4'-P energy: -2.108 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: 3 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -27.087636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.087636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.087636 (E_RNA) where: Base-Base interactions energy: -11.747 where: short stacking energy: -11.867 Base-Backbone interact. energy: -0.000 local terms energy: -15.340386 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -3.821 flat angles C4'-P-C4' energy: -2.777 flat angles P-C4'-P energy: -1.890 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: 6, replica: 1 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -24.208498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.208498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.208498 (E_RNA) where: Base-Base interactions energy: -5.814 where: short stacking energy: -5.814 Base-Backbone interact. energy: -0.000 local terms energy: -18.394624 where: bonds (distance) C4'-P energy: -3.161 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.239 flat angles P-C4'-P energy: -3.170 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: 7, replica: 2 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -24.982989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.982989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.982989 (E_RNA) where: Base-Base interactions energy: -7.724 where: short stacking energy: -7.724 Base-Backbone interact. energy: -0.000 local terms energy: -17.258564 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -2.581 flat angles C4'-P-C4' energy: -4.750 flat angles P-C4'-P energy: -3.221 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: 4 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -24.031114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.031114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.031114 (E_RNA) where: Base-Base interactions energy: -6.240 where: short stacking energy: -6.240 Base-Backbone interact. energy: -0.000 local terms energy: -17.790921 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -3.020 flat angles P-C4'-P energy: -3.751 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: 9, replica: 9 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -20.658078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.658078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.658078 (E_RNA) where: Base-Base interactions energy: -6.402 where: short stacking energy: -6.402 Base-Backbone interact. energy: -0.000 local terms energy: -14.255539 where: bonds (distance) C4'-P energy: -0.585 bonds (distance) P-C4' energy: -3.367 flat angles C4'-P-C4' energy: -4.028 flat angles P-C4'-P energy: -2.111 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: 10, replica: 10 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -21.198402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.198402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.198402 (E_RNA) where: Base-Base interactions energy: -6.174 where: short stacking energy: -6.174 Base-Backbone interact. energy: -0.097 local terms energy: -14.927579 where: bonds (distance) C4'-P energy: -3.264 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -2.473 flat angles P-C4'-P energy: -3.665 tors. eta vs tors. theta energy: -0.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -30.993229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.993229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.993229 (E_RNA) where: Base-Base interactions energy: -10.989 where: short stacking energy: -10.989 Base-Backbone interact. energy: -0.001 local terms energy: -20.003497 where: bonds (distance) C4'-P energy: -3.682 bonds (distance) P-C4' energy: -5.104 flat angles C4'-P-C4' energy: -4.483 flat angles P-C4'-P energy: -3.394 tors. eta vs tors. theta energy: -3.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -30.655056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.655056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.655056 (E_RNA) where: Base-Base interactions energy: -10.730 where: short stacking energy: -10.730 Base-Backbone interact. energy: -0.000 local terms energy: -19.924770 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.725 flat angles P-C4'-P energy: -2.852 tors. eta vs tors. theta energy: -4.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -26.396393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.396393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.396393 (E_RNA) where: Base-Base interactions energy: -7.304 where: short stacking energy: -7.304 Base-Backbone interact. energy: -0.000 local terms energy: -19.091933 where: bonds (distance) C4'-P energy: -4.279 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.712 flat angles P-C4'-P energy: -3.601 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: 4, replica: 3 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -24.034478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.034478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.034478 (E_RNA) where: Base-Base interactions energy: -7.485 where: short stacking energy: -7.485 Base-Backbone interact. energy: -0.006 local terms energy: -16.542638 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.977 flat angles P-C4'-P energy: -1.180 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: 8 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -24.924813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.924813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.924813 (E_RNA) where: Base-Base interactions energy: -8.211 where: short stacking energy: -8.211 Base-Backbone interact. energy: -0.001 local terms energy: -16.713156 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -4.839 flat angles C4'-P-C4' energy: -2.735 flat angles P-C4'-P energy: -2.392 tors. eta vs tors. theta energy: -2.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -23.595367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.595367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.595367 (E_RNA) where: Base-Base interactions energy: -7.299 where: short stacking energy: -7.299 Base-Backbone interact. energy: -0.000 local terms energy: -16.296623 where: bonds (distance) C4'-P energy: -1.712 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.290 flat angles P-C4'-P energy: -2.314 tors. eta vs tors. theta energy: -2.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -22.473641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.473641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.473641 (E_RNA) where: Base-Base interactions energy: -2.810 where: short stacking energy: -2.810 Base-Backbone interact. energy: -0.000 local terms energy: -19.663415 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.223 flat angles P-C4'-P energy: -3.594 tors. eta vs tors. theta energy: -3.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -22.741165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.741165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.741165 (E_RNA) where: Base-Base interactions energy: -6.648 where: short stacking energy: -6.648 Base-Backbone interact. energy: -0.001 local terms energy: -16.092786 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.398 flat angles P-C4'-P energy: -2.637 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: 4 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -23.850911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.850911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.850911 (E_RNA) where: Base-Base interactions energy: -6.128 where: short stacking energy: -6.128 Base-Backbone interact. energy: -0.005 local terms energy: -17.717235 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.068 flat angles P-C4'-P energy: -2.653 tors. eta vs tors. theta energy: -1.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -19.231931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.231931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.231931 (E_RNA) where: Base-Base interactions energy: -4.668 where: short stacking energy: -4.668 Base-Backbone interact. energy: -0.000 local terms energy: -14.563195 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -3.494 flat angles C4'-P-C4' energy: -3.941 flat angles P-C4'-P energy: -2.263 tors. eta vs tors. theta energy: -0.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -28.380893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.380893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.380893 (E_RNA) where: Base-Base interactions energy: -10.571 where: short stacking energy: -10.571 Base-Backbone interact. energy: -0.000 local terms energy: -17.809809 where: bonds (distance) C4'-P energy: -3.566 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.866 flat angles P-C4'-P energy: -3.254 tors. eta vs tors. theta energy: -2.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -28.137019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.137019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.137019 (E_RNA) where: Base-Base interactions energy: -8.063 where: short stacking energy: -8.063 Base-Backbone interact. energy: -0.000 local terms energy: -20.074097 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -2.714 flat angles P-C4'-P energy: -3.517 tors. eta vs tors. theta energy: -4.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -24.288124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.288124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.288124 (E_RNA) where: Base-Base interactions energy: -5.519 where: short stacking energy: -5.519 Base-Backbone interact. energy: -1.391 local terms energy: -17.378693 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -2.760 flat angles P-C4'-P energy: -3.644 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: 4, replica: 7 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -27.602588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.602588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.602588 (E_RNA) where: Base-Base interactions energy: -10.195 where: short stacking energy: -10.195 Base-Backbone interact. energy: -0.001 local terms energy: -17.406766 where: bonds (distance) C4'-P energy: -3.823 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.832 flat angles P-C4'-P energy: -2.534 tors. eta vs tors. theta energy: -2.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -25.796280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.796280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.796280 (E_RNA) where: Base-Base interactions energy: -8.992 where: short stacking energy: -8.992 Base-Backbone interact. energy: -0.000 local terms energy: -16.804548 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -3.747 flat angles P-C4'-P energy: -2.829 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: 6, replica: 8 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -23.265489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.265489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.265489 (E_RNA) where: Base-Base interactions energy: -6.707 where: short stacking energy: -6.707 Base-Backbone interact. energy: -0.100 local terms energy: -16.459038 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.169 flat angles P-C4'-P energy: -3.119 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: 7, replica: 9 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -24.927967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.927967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.927967 (E_RNA) where: Base-Base interactions energy: -8.573 where: short stacking energy: -8.573 Base-Backbone interact. energy: -0.000 local terms energy: -16.354849 where: bonds (distance) C4'-P energy: -3.194 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.650 flat angles P-C4'-P energy: -2.663 tors. eta vs tors. theta energy: -1.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -21.626000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.626000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.626000 (E_RNA) where: Base-Base interactions energy: -6.789 where: short stacking energy: -6.789 Base-Backbone interact. energy: -0.000 local terms energy: -14.836887 where: bonds (distance) C4'-P energy: -2.216 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -3.166 flat angles P-C4'-P energy: -3.315 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: 4 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -18.576800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.576800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.576800 (E_RNA) where: Base-Base interactions energy: -4.145 where: short stacking energy: -4.145 Base-Backbone interact. energy: -0.000 local terms energy: -14.431516 where: bonds (distance) C4'-P energy: -4.018 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -3.767 flat angles P-C4'-P energy: -1.659 tors. eta vs tors. theta energy: -0.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -23.498321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.498321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.498321 (E_RNA) where: Base-Base interactions energy: -8.223 where: short stacking energy: -8.223 Base-Backbone interact. energy: -0.000 local terms energy: -15.275159 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -2.991 flat angles P-C4'-P energy: -2.003 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: 1, replica: 5 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -32.543466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.543466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.543466 (E_RNA) where: Base-Base interactions energy: -12.208 where: short stacking energy: -12.208 Base-Backbone interact. energy: -0.000 local terms energy: -20.335164 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -3.949 flat angles P-C4'-P energy: -3.873 tors. eta vs tors. theta energy: -4.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -29.471849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.471849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.471849 (E_RNA) where: Base-Base interactions energy: -8.604 where: short stacking energy: -8.604 Base-Backbone interact. energy: -0.000 local terms energy: -20.868102 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.885 flat angles P-C4'-P energy: -3.745 tors. eta vs tors. theta energy: -3.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -28.576853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.576853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.576853 (E_RNA) where: Base-Base interactions energy: -9.241 where: short stacking energy: -9.241 Base-Backbone interact. energy: -0.001 local terms energy: -19.334634 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.732 flat angles P-C4'-P energy: -3.624 tors. eta vs tors. theta energy: -2.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -22.453559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.453559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.453559 (E_RNA) where: Base-Base interactions energy: -4.493 where: short stacking energy: -4.493 Base-Backbone interact. energy: -0.004 local terms energy: -17.955787 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.600 flat angles P-C4'-P energy: -2.636 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: 5, replica: 7 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -23.600621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.600621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.600621 (E_RNA) where: Base-Base interactions energy: -7.510 where: short stacking energy: -7.510 Base-Backbone interact. energy: -0.011 local terms energy: -16.080316 where: bonds (distance) C4'-P energy: -3.186 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.595 flat angles P-C4'-P energy: -2.044 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: 9 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -22.702654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.702654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.702654 (E_RNA) where: Base-Base interactions energy: -4.259 where: short stacking energy: -4.259 Base-Backbone interact. energy: -0.000 local terms energy: -18.443174 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.411 flat angles P-C4'-P energy: -3.993 tors. eta vs tors. theta energy: -1.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -22.239226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.239226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.239226 (E_RNA) where: Base-Base interactions energy: -7.298 where: short stacking energy: -7.298 Base-Backbone interact. energy: -0.008 local terms energy: -14.933338 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -3.909 flat angles P-C4'-P energy: -2.476 tors. eta vs tors. theta energy: -0.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -20.287801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.287801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.287801 (E_RNA) where: Base-Base interactions energy: -5.175 where: short stacking energy: -5.175 Base-Backbone interact. energy: -0.630 local terms energy: -14.482708 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -3.471 flat angles P-C4'-P energy: -2.303 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: 9, replica: 1 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -23.186144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.186144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.186144 (E_RNA) where: Base-Base interactions energy: -6.931 where: short stacking energy: -6.931 Base-Backbone interact. energy: -0.000 local terms energy: -16.255334 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -3.182 flat angles P-C4'-P energy: -3.797 tors. eta vs tors. theta energy: -0.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -19.891737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.891737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.891737 (E_RNA) where: Base-Base interactions energy: -3.237 where: short stacking energy: -3.237 Base-Backbone interact. energy: -0.046 local terms energy: -16.608965 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -2.623 flat angles P-C4'-P energy: -3.453 tors. eta vs tors. theta energy: -1.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -27.388662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.388662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.388662 (E_RNA) where: Base-Base interactions energy: -11.862 where: short stacking energy: -11.862 Base-Backbone interact. energy: -0.000 local terms energy: -15.526384 where: bonds (distance) C4'-P energy: -2.263 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -2.627 flat angles P-C4'-P energy: -2.693 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: 5 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -23.385041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.385041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.385041 (E_RNA) where: Base-Base interactions energy: -7.642 where: short stacking energy: -7.642 Base-Backbone interact. energy: -0.000 local terms energy: -15.743275 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -4.173 flat angles P-C4'-P energy: -1.960 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: 3, replica: 2 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -26.847542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.847542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.847542 (E_RNA) where: Base-Base interactions energy: -12.192 where: short stacking energy: -12.192 Base-Backbone interact. energy: -0.000 local terms energy: -14.654957 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -3.984 flat angles C4'-P-C4' energy: -3.595 flat angles P-C4'-P energy: -1.046 tors. eta vs tors. theta energy: -1.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -23.146940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.146940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.146940 (E_RNA) where: Base-Base interactions energy: -6.162 where: short stacking energy: -6.162 Base-Backbone interact. energy: -0.056 local terms energy: -16.929158 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -3.652 flat angles C4'-P-C4' energy: -2.919 flat angles P-C4'-P energy: -3.214 tors. eta vs tors. theta energy: -2.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -30.723594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.723594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.723594 (E_RNA) where: Base-Base interactions energy: -11.213 where: short stacking energy: -11.213 Base-Backbone interact. energy: -0.000 local terms energy: -19.510802 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.593 flat angles P-C4'-P energy: -2.201 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: 6, replica: 7 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -24.512597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.512597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.512597 (E_RNA) where: Base-Base interactions energy: -6.976 where: short stacking energy: -6.976 Base-Backbone interact. energy: -0.000 local terms energy: -17.536183 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -2.977 flat angles P-C4'-P energy: -3.094 tors. eta vs tors. theta energy: -2.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -23.456318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.456318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.456318 (E_RNA) where: Base-Base interactions energy: -5.894 where: short stacking energy: -5.894 Base-Backbone interact. energy: 0.100 local terms energy: -17.662603 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.441 flat angles C4'-P-C4' energy: -2.730 flat angles P-C4'-P energy: -3.674 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: 8, replica: 8 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -22.474307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.474307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.474307 (E_RNA) where: Base-Base interactions energy: -7.349 where: short stacking energy: -7.349 Base-Backbone interact. energy: -0.095 local terms energy: -15.030775 where: bonds (distance) C4'-P energy: -2.970 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -1.832 flat angles P-C4'-P energy: -3.615 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: 10 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -21.781452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.781452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.781452 (E_RNA) where: Base-Base interactions energy: -7.509 where: short stacking energy: -7.509 Base-Backbone interact. energy: -0.061 local terms energy: -14.211269 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -2.778 flat angles C4'-P-C4' energy: -3.123 flat angles P-C4'-P energy: -3.550 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: 10, replica: 1 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -20.874156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.874156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.874156 (E_RNA) where: Base-Base interactions energy: -7.633 where: short stacking energy: -7.633 Base-Backbone interact. energy: -0.000 local terms energy: -13.241328 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -2.845 flat angles C4'-P-C4' energy: -3.745 flat angles P-C4'-P energy: -2.636 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: 1, replica: 3 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -31.148609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.148609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.148609 (E_RNA) where: Base-Base interactions energy: -11.359 where: short stacking energy: -11.359 Base-Backbone interact. energy: -0.000 local terms energy: -19.789141 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.629 flat angles P-C4'-P energy: -2.053 tors. eta vs tors. theta energy: -4.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -26.012711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.012711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.012711 (E_RNA) where: Base-Base interactions energy: -9.378 where: short stacking energy: -9.378 Base-Backbone interact. energy: -0.025 local terms energy: -16.609693 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.842 flat angles C4'-P-C4' energy: -3.448 flat angles P-C4'-P energy: -1.963 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: 3, replica: 5 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -26.217088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.217088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.217088 (E_RNA) where: Base-Base interactions energy: -10.091 where: short stacking energy: -10.091 Base-Backbone interact. energy: -0.000 local terms energy: -16.125908 where: bonds (distance) C4'-P energy: -2.668 bonds (distance) P-C4' energy: -3.751 flat angles C4'-P-C4' energy: -4.061 flat angles P-C4'-P energy: -2.858 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: 9 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -23.342898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.342898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.342898 (E_RNA) where: Base-Base interactions energy: -7.515 where: short stacking energy: -7.515 Base-Backbone interact. energy: -0.037 local terms energy: -15.790970 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.196 flat angles P-C4'-P energy: -2.894 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: 5, replica: 6 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -24.128509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.128509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.128509 (E_RNA) where: Base-Base interactions energy: -8.592 where: short stacking energy: -8.592 Base-Backbone interact. energy: -0.073 local terms energy: -15.462835 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -3.062 flat angles P-C4'-P energy: -0.994 tors. eta vs tors. theta energy: -3.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -21.507634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.507634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.507634 (E_RNA) where: Base-Base interactions energy: -4.317 where: short stacking energy: -4.317 Base-Backbone interact. energy: 0.103 local terms energy: -17.294226 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -3.995 flat angles P-C4'-P energy: -3.625 tors. eta vs tors. theta energy: -0.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -23.091590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.091590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.091590 (E_RNA) where: Base-Base interactions energy: -7.243 where: short stacking energy: -7.243 Base-Backbone interact. energy: -0.026 local terms energy: -15.823097 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -3.518 flat angles C4'-P-C4' energy: -4.294 flat angles P-C4'-P energy: -2.937 tors. eta vs tors. theta energy: -1.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -20.094192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.094192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.094192 (E_RNA) where: Base-Base interactions energy: -2.533 where: short stacking energy: -2.533 Base-Backbone interact. energy: -0.451 local terms energy: -17.110974 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.363 flat angles P-C4'-P energy: -3.789 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: 8 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -18.964352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.964352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.964352 (E_RNA) where: Base-Base interactions energy: -4.024 where: short stacking energy: -4.024 Base-Backbone interact. energy: -0.100 local terms energy: -14.840117 where: bonds (distance) C4'-P energy: -3.406 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -2.565 flat angles P-C4'-P energy: -2.015 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: 181 Temperature: 1.350000 Total energy: -21.485844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.485844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.485844 (E_RNA) where: Base-Base interactions energy: -5.777 where: short stacking energy: -5.777 Base-Backbone interact. energy: -0.000 local terms energy: -15.708877 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -3.110 flat angles C4'-P-C4' energy: -4.009 flat angles P-C4'-P energy: -0.549 tors. eta vs tors. theta energy: -4.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -30.599624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.599624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.599624 (E_RNA) where: Base-Base interactions energy: -12.282 where: short stacking energy: -12.282 Base-Backbone interact. energy: -0.029 local terms energy: -18.287798 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -3.532 flat angles C4'-P-C4' energy: -4.559 flat angles P-C4'-P energy: -3.835 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: 2, replica: 2 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -28.263680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.263680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.263680 (E_RNA) where: Base-Base interactions energy: -9.763 where: short stacking energy: -9.763 Base-Backbone interact. energy: -0.000 local terms energy: -18.500912 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -2.672 flat angles P-C4'-P energy: -3.678 tors. eta vs tors. theta energy: -2.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -30.216469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.216469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.216469 (E_RNA) where: Base-Base interactions energy: -11.848 where: short stacking energy: -11.848 Base-Backbone interact. energy: -0.001 local terms energy: -18.367466 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -3.585 flat angles C4'-P-C4' energy: -3.764 flat angles P-C4'-P energy: -3.123 tors. eta vs tors. theta energy: -3.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -21.744485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.744485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.744485 (E_RNA) where: Base-Base interactions energy: -7.723 where: short stacking energy: -7.723 Base-Backbone interact. energy: -0.020 local terms energy: -14.001892 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.569 flat angles C4'-P-C4' energy: -2.438 flat angles P-C4'-P energy: -0.810 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: 182 Temperature: 1.100000 Total energy: -21.807374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.807374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.807374 (E_RNA) where: Base-Base interactions energy: -6.956 where: short stacking energy: -6.956 Base-Backbone interact. energy: -0.062 local terms energy: -14.789378 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -1.849 flat angles P-C4'-P energy: -3.873 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: 6, replica: 6 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -23.679374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.679374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.679374 (E_RNA) where: Base-Base interactions energy: -5.958 where: short stacking energy: -5.958 Base-Backbone interact. energy: -0.092 local terms energy: -17.629408 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.662 flat angles P-C4'-P energy: -3.739 tors. eta vs tors. theta energy: -0.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -20.328549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.328549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.328549 (E_RNA) where: Base-Base interactions energy: -3.350 where: short stacking energy: -3.350 Base-Backbone interact. energy: -0.000 local terms energy: -16.978213 where: bonds (distance) C4'-P energy: -3.344 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.919 flat angles P-C4'-P energy: -1.751 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: 7 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -25.333879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.333879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.333879 (E_RNA) where: Base-Base interactions energy: -6.959 where: short stacking energy: -6.959 Base-Backbone interact. energy: -0.000 local terms energy: -18.375186 where: bonds (distance) C4'-P energy: -4.341 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.113 flat angles P-C4'-P energy: -2.483 tors. eta vs tors. theta energy: -2.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -21.757550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.757550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.757550 (E_RNA) where: Base-Base interactions energy: -7.118 where: short stacking energy: -7.118 Base-Backbone interact. energy: -0.034 local terms energy: -14.604769 where: bonds (distance) C4'-P energy: -4.233 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.654 flat angles P-C4'-P energy: -1.007 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: 10, replica: 8 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -21.801878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.801878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.801878 (E_RNA) where: Base-Base interactions energy: -6.645 where: short stacking energy: -6.645 Base-Backbone interact. energy: -0.003 local terms energy: -15.153878 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.731 flat angles P-C4'-P energy: -2.535 tors. eta vs tors. theta energy: 0.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -27.080055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.080055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.080055 (E_RNA) where: Base-Base interactions energy: -10.655 where: short stacking energy: -10.655 Base-Backbone interact. energy: -0.072 local terms energy: -16.353070 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.153 flat angles C4'-P-C4' energy: -3.999 flat angles P-C4'-P energy: -3.239 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: 9 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -25.848820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.848820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.848820 (E_RNA) where: Base-Base interactions energy: -8.231 where: short stacking energy: -8.231 Base-Backbone interact. energy: -0.000 local terms energy: -17.617184 where: bonds (distance) C4'-P energy: -4.125 bonds (distance) P-C4' energy: -4.392 flat angles C4'-P-C4' energy: -3.904 flat angles P-C4'-P energy: -2.859 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: 3, replica: 2 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -28.810466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.810466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.810466 (E_RNA) where: Base-Base interactions energy: -10.217 where: short stacking energy: -10.217 Base-Backbone interact. energy: -0.000 local terms energy: -18.593694 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.376 flat angles P-C4'-P energy: -2.674 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: 4, replica: 4 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -23.756416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.756416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.756416 (E_RNA) where: Base-Base interactions energy: -7.635 where: short stacking energy: -7.635 Base-Backbone interact. energy: -0.100 local terms energy: -16.021166 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -3.071 flat angles C4'-P-C4' energy: -4.152 flat angles P-C4'-P energy: -3.460 tors. eta vs tors. theta energy: -1.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -22.632239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.632239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.632239 (E_RNA) where: Base-Base interactions energy: -8.263 where: short stacking energy: -8.263 Base-Backbone interact. energy: -0.217 local terms energy: -14.152487 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -3.016 flat angles P-C4'-P energy: -1.517 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: 10 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -22.226702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.226702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.226702 (E_RNA) where: Base-Base interactions energy: -9.013 where: short stacking energy: -9.013 Base-Backbone interact. energy: -0.000 local terms energy: -13.213084 where: bonds (distance) C4'-P energy: -2.920 bonds (distance) P-C4' energy: -3.643 flat angles C4'-P-C4' energy: -3.116 flat angles P-C4'-P energy: -3.362 tors. eta vs tors. theta energy: -0.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -23.690437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.690437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.690437 (E_RNA) where: Base-Base interactions energy: -6.721 where: short stacking energy: -6.721 Base-Backbone interact. energy: -0.003 local terms energy: -16.966475 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -3.251 flat angles P-C4'-P energy: -3.167 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: 1 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -21.857031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.857031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.857031 (E_RNA) where: Base-Base interactions energy: -7.750 where: short stacking energy: -7.750 Base-Backbone interact. energy: -0.002 local terms energy: -14.105534 where: bonds (distance) C4'-P energy: -1.480 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -4.613 flat angles P-C4'-P energy: -2.342 tors. eta vs tors. theta energy: -0.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -20.982895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.982895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.982895 (E_RNA) where: Base-Base interactions energy: -5.588 where: short stacking energy: -5.588 Base-Backbone interact. energy: -0.809 local terms energy: -14.586275 where: bonds (distance) C4'-P energy: -3.161 bonds (distance) P-C4' energy: -3.815 flat angles C4'-P-C4' energy: -4.063 flat angles P-C4'-P energy: -1.815 tors. eta vs tors. theta energy: -1.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -19.079947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.079947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.079947 (E_RNA) where: Base-Base interactions energy: -3.999 where: short stacking energy: -3.999 Base-Backbone interact. energy: -0.004 local terms energy: -15.076530 where: bonds (distance) C4'-P energy: -2.743 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.150 flat angles P-C4'-P energy: -2.212 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: 1, replica: 9 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -30.424388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.424388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.424388 (E_RNA) where: Base-Base interactions energy: -9.775 where: short stacking energy: -9.775 Base-Backbone interact. energy: -0.000 local terms energy: -20.649154 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.188 flat angles P-C4'-P energy: -2.592 tors. eta vs tors. theta energy: -4.884 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: 2, replica: 3 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -26.511908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.511908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.511908 (E_RNA) where: Base-Base interactions energy: -10.302 where: short stacking energy: -10.302 Base-Backbone interact. energy: -0.013 local terms energy: -16.195988 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.487 flat angles P-C4'-P energy: -2.787 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: 3, replica: 4 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -30.189387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.189387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.189387 (E_RNA) where: Base-Base interactions energy: -10.820 where: short stacking energy: -10.820 Base-Backbone interact. energy: -0.000 local terms energy: -19.369825 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -3.981 flat angles C4'-P-C4' energy: -4.116 flat angles P-C4'-P energy: -2.619 tors. eta vs tors. theta energy: -4.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -21.925530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.925530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.925530 (E_RNA) where: Base-Base interactions energy: -4.871 where: short stacking energy: -4.871 Base-Backbone interact. energy: 0.250 local terms energy: -17.304994 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -2.971 flat angles P-C4'-P energy: -3.192 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: 10 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -23.735882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.735882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.735882 (E_RNA) where: Base-Base interactions energy: -7.748 where: short stacking energy: -7.748 Base-Backbone interact. energy: -0.000 local terms energy: -15.988182 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -4.336 flat angles C4'-P-C4' energy: -4.613 flat angles P-C4'-P energy: -2.462 tors. eta vs tors. theta energy: -0.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -22.368837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.368837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.368837 (E_RNA) where: Base-Base interactions energy: -2.840 where: short stacking energy: -2.840 Base-Backbone interact. energy: -0.000 local terms energy: -19.529057 where: bonds (distance) C4'-P energy: -3.708 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.555 flat angles P-C4'-P energy: -2.667 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: 7, replica: 6 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -25.012997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.012997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.012997 (E_RNA) where: Base-Base interactions energy: -7.372 where: short stacking energy: -7.372 Base-Backbone interact. energy: -0.000 local terms energy: -17.641121 where: bonds (distance) C4'-P energy: -2.448 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.448 flat angles P-C4'-P energy: -2.788 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: 8, replica: 1 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -24.701155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.701155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.701155 (E_RNA) where: Base-Base interactions energy: -7.697 where: short stacking energy: -7.697 Base-Backbone interact. energy: -0.000 local terms energy: -17.004157 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.702 flat angles P-C4'-P energy: -2.415 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: 9, replica: 8 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -24.095403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.095403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.095403 (E_RNA) where: Base-Base interactions energy: -7.339 where: short stacking energy: -7.339 Base-Backbone interact. energy: -0.000 local terms energy: -16.756572 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -3.815 flat angles C4'-P-C4' energy: -4.049 flat angles P-C4'-P energy: -2.838 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: 10, replica: 7 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -25.493763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.493763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.493763 (E_RNA) where: Base-Base interactions energy: -7.696 where: short stacking energy: -7.696 Base-Backbone interact. energy: -0.000 local terms energy: -17.797381 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.883 flat angles P-C4'-P energy: -2.603 tors. eta vs tors. theta energy: -1.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -25.464187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.464187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.464187 (E_RNA) where: Base-Base interactions energy: -7.446 where: short stacking energy: -7.446 Base-Backbone interact. energy: -0.000 local terms energy: -18.018266 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -3.709 flat angles P-C4'-P energy: -2.795 tors. eta vs tors. theta energy: -2.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -27.377621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.377621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.377621 (E_RNA) where: Base-Base interactions energy: -7.448 where: short stacking energy: -7.448 Base-Backbone interact. energy: -0.000 local terms energy: -19.930101 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.647 flat angles P-C4'-P energy: -3.732 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: 3, replica: 3 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -28.741614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.741614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.741614 (E_RNA) where: Base-Base interactions energy: -9.899 where: short stacking energy: -9.899 Base-Backbone interact. energy: -0.000 local terms energy: -18.842229 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.674 flat angles P-C4'-P energy: -3.957 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: 4, replica: 10 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -27.281151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.281151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.281151 (E_RNA) where: Base-Base interactions energy: -6.017 where: short stacking energy: -6.017 Base-Backbone interact. energy: -0.000 local terms energy: -21.264533 where: bonds (distance) C4'-P energy: -3.277 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.549 flat angles P-C4'-P energy: -4.013 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: 5, replica: 2 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -22.831661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.831661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.831661 (E_RNA) where: Base-Base interactions energy: -6.856 where: short stacking energy: -6.856 Base-Backbone interact. energy: -0.014 local terms energy: -15.961474 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.044 flat angles P-C4'-P energy: -2.421 tors. eta vs tors. theta energy: -0.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -22.609362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.609362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.609362 (E_RNA) where: Base-Base interactions energy: -6.718 where: short stacking energy: -6.718 Base-Backbone interact. energy: -0.000 local terms energy: -15.891097 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -4.279 flat angles P-C4'-P energy: -2.942 tors. eta vs tors. theta energy: -0.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -25.237197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.237197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.237197 (E_RNA) where: Base-Base interactions energy: -7.517 where: short stacking energy: -7.517 Base-Backbone interact. energy: -0.000 local terms energy: -17.720079 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.105 flat angles P-C4'-P energy: -2.902 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: 8, replica: 8 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -22.756952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.756952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.756952 (E_RNA) where: Base-Base interactions energy: -3.922 where: short stacking energy: -3.922 Base-Backbone interact. energy: -0.000 local terms energy: -18.835382 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.595 flat angles P-C4'-P energy: -2.923 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: 9, replica: 1 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -21.806580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.806580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.806580 (E_RNA) where: Base-Base interactions energy: -5.522 where: short stacking energy: -5.522 Base-Backbone interact. energy: -0.000 local terms energy: -16.285037 where: bonds (distance) C4'-P energy: -1.835 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.248 flat angles P-C4'-P energy: -3.511 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: 10, replica: 7 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -23.369001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.369001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.369001 (E_RNA) where: Base-Base interactions energy: -8.245 where: short stacking energy: -8.245 Base-Backbone interact. energy: -0.001 local terms energy: -15.123077 where: bonds (distance) C4'-P energy: -2.316 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.638 flat angles P-C4'-P energy: -2.400 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: 4 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -28.222279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.222279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.222279 (E_RNA) where: Base-Base interactions energy: -10.022 where: short stacking energy: -10.022 Base-Backbone interact. energy: -0.000 local terms energy: -18.200241 where: bonds (distance) C4'-P energy: -2.449 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.519 flat angles P-C4'-P energy: -3.354 tors. eta vs tors. theta energy: -2.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -28.916059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.916059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.916059 (E_RNA) where: Base-Base interactions energy: -10.777 where: short stacking energy: -10.777 Base-Backbone interact. energy: -0.001 local terms energy: -18.137495 where: bonds (distance) C4'-P energy: -4.171 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -4.163 flat angles P-C4'-P energy: -3.340 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: 3, replica: 10 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -24.905101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.905101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.905101 (E_RNA) where: Base-Base interactions energy: -7.993 where: short stacking energy: -7.993 Base-Backbone interact. energy: -0.000 local terms energy: -16.912491 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -3.022 flat angles P-C4'-P energy: -3.514 tors. eta vs tors. theta energy: -2.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -25.609730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.609730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.609730 (E_RNA) where: Base-Base interactions energy: -8.001 where: short stacking energy: -8.001 Base-Backbone interact. energy: -0.000 local terms energy: -17.608428 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -1.926 flat angles P-C4'-P energy: -2.740 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: 5, replica: 6 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -27.880689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.880689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.880689 (E_RNA) where: Base-Base interactions energy: -10.034 where: short stacking energy: -10.034 Base-Backbone interact. energy: -0.000 local terms energy: -17.846707 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -2.624 flat angles P-C4'-P energy: -2.272 tors. eta vs tors. theta energy: -3.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -24.124370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.124370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.124370 (E_RNA) where: Base-Base interactions energy: -7.488 where: short stacking energy: -7.488 Base-Backbone interact. energy: -0.000 local terms energy: -16.635962 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.584 flat angles P-C4'-P energy: -2.256 tors. eta vs tors. theta energy: -1.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -25.885907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.885907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.885907 (E_RNA) where: Base-Base interactions energy: -8.229 where: short stacking energy: -8.229 Base-Backbone interact. energy: -0.024 local terms energy: -17.633287 where: bonds (distance) C4'-P energy: -3.708 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.100 flat angles P-C4'-P energy: -3.241 tors. eta vs tors. theta energy: -1.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -21.675933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.675933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.675933 (E_RNA) where: Base-Base interactions energy: -6.537 where: short stacking energy: -6.537 Base-Backbone interact. energy: -0.020 local terms energy: -15.119406 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.061 flat angles P-C4'-P energy: -1.807 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: 7 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -20.735400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.735400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.735400 (E_RNA) where: Base-Base interactions energy: -5.971 where: short stacking energy: -5.971 Base-Backbone interact. energy: -0.000 local terms energy: -14.764464 where: bonds (distance) C4'-P energy: -1.716 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.609 flat angles P-C4'-P energy: -0.685 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: 10, replica: 1 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -19.365909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.365909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.365909 (E_RNA) where: Base-Base interactions energy: -3.529 where: short stacking energy: -3.529 Base-Backbone interact. energy: -0.081 local terms energy: -15.756351 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.132 flat angles C4'-P-C4' energy: -2.468 flat angles P-C4'-P energy: -3.751 tors. eta vs tors. theta energy: -0.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -29.713201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.713201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.713201 (E_RNA) where: Base-Base interactions energy: -11.287 where: short stacking energy: -11.287 Base-Backbone interact. energy: -0.000 local terms energy: -18.426466 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.336 flat angles C4'-P-C4' energy: -3.663 flat angles P-C4'-P energy: -1.752 tors. eta vs tors. theta energy: -4.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -30.241091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.241091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.241091 (E_RNA) where: Base-Base interactions energy: -12.180 where: short stacking energy: -12.180 Base-Backbone interact. energy: -0.000 local terms energy: -18.061055 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.548 flat angles C4'-P-C4' energy: -3.992 flat angles P-C4'-P energy: -2.722 tors. eta vs tors. theta energy: -3.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -26.651537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.651537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.651537 (E_RNA) where: Base-Base interactions energy: -6.805 where: short stacking energy: -6.805 Base-Backbone interact. energy: -0.000 local terms energy: -19.846751 where: bonds (distance) C4'-P energy: -3.673 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.034 flat angles P-C4'-P energy: -2.894 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: 6 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -25.454505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.454505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.454505 (E_RNA) where: Base-Base interactions energy: -7.284 where: short stacking energy: -7.284 Base-Backbone interact. energy: -0.092 local terms energy: -18.078290 where: bonds (distance) C4'-P energy: -3.889 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -3.536 flat angles P-C4'-P energy: -2.576 tors. eta vs tors. theta energy: -3.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -26.856986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.856986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.856986 (E_RNA) where: Base-Base interactions energy: -10.709 where: short stacking energy: -10.709 Base-Backbone interact. energy: -0.000 local terms energy: -16.147885 where: bonds (distance) C4'-P energy: -3.397 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.061 flat angles P-C4'-P energy: -2.703 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: 6, replica: 8 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -21.252906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.252906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.252906 (E_RNA) where: Base-Base interactions energy: -4.397 where: short stacking energy: -4.397 Base-Backbone interact. energy: -0.047 local terms energy: -16.808890 where: bonds (distance) C4'-P energy: -2.896 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.006 flat angles P-C4'-P energy: -3.513 tors. eta vs tors. theta energy: -2.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -20.134365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.134365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.134365 (E_RNA) where: Base-Base interactions energy: -4.175 where: short stacking energy: -4.175 Base-Backbone interact. energy: -0.000 local terms energy: -15.959649 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.964 flat angles P-C4'-P energy: -3.891 tors. eta vs tors. theta energy: 0.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -21.804668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.804668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.804668 (E_RNA) where: Base-Base interactions energy: -5.454 where: short stacking energy: -5.454 Base-Backbone interact. energy: -0.016 local terms energy: -16.334882 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.044 flat angles C4'-P-C4' energy: -4.517 flat angles P-C4'-P energy: -3.319 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: 9, replica: 5 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -22.905032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.905032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.905032 (E_RNA) where: Base-Base interactions energy: -8.091 where: short stacking energy: -8.091 Base-Backbone interact. energy: -0.032 local terms energy: -14.781324 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -2.847 flat angles P-C4'-P energy: -2.943 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: 1 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -21.097782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.097782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.097782 (E_RNA) where: Base-Base interactions energy: -6.603 where: short stacking energy: -6.603 Base-Backbone interact. energy: -0.015 local terms energy: -14.479442 where: bonds (distance) C4'-P energy: -3.708 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.424 flat angles P-C4'-P energy: -2.003 tors. eta vs tors. theta energy: -0.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -28.988812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.988812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.988812 (E_RNA) where: Base-Base interactions energy: -11.342 where: short stacking energy: -11.342 Base-Backbone interact. energy: -0.000 local terms energy: -17.646776 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -4.136 flat angles P-C4'-P energy: -2.195 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: 2, replica: 4 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -25.574373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.574373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.574373 (E_RNA) where: Base-Base interactions energy: -8.348 where: short stacking energy: -8.348 Base-Backbone interact. energy: -0.000 local terms energy: -17.226776 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.246 flat angles P-C4'-P energy: -2.277 tors. eta vs tors. theta energy: -2.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -27.715995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.715995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.715995 (E_RNA) where: Base-Base interactions energy: -8.480 where: short stacking energy: -8.480 Base-Backbone interact. energy: -0.004 local terms energy: -19.232417 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.131 flat angles P-C4'-P energy: -3.107 tors. eta vs tors. theta energy: -3.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -26.251214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.251214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.251214 (E_RNA) where: Base-Base interactions energy: -10.251 where: short stacking energy: -10.251 Base-Backbone interact. energy: -0.000 local terms energy: -15.999934 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -1.234 flat angles P-C4'-P energy: -1.342 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: 5, replica: 8 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -22.939516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.939516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.939516 (E_RNA) where: Base-Base interactions energy: -6.012 where: short stacking energy: -6.012 Base-Backbone interact. energy: -0.000 local terms energy: -16.927572 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.500 flat angles P-C4'-P energy: -3.051 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: 6, replica: 3 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -24.040689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.040689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.040689 (E_RNA) where: Base-Base interactions energy: -7.688 where: short stacking energy: -7.688 Base-Backbone interact. energy: -0.026 local terms energy: -16.327194 where: bonds (distance) C4'-P energy: -2.457 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -2.642 flat angles P-C4'-P energy: -3.491 tors. eta vs tors. theta energy: -2.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -23.736324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.736324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.736324 (E_RNA) where: Base-Base interactions energy: -6.964 where: short stacking energy: -6.964 Base-Backbone interact. energy: -0.006 local terms energy: -16.766498 where: bonds (distance) C4'-P energy: -3.566 bonds (distance) P-C4' energy: -3.282 flat angles C4'-P-C4' energy: -3.913 flat angles P-C4'-P energy: -3.368 tors. eta vs tors. theta energy: -2.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -22.008153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.008153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.008153 (E_RNA) where: Base-Base interactions energy: -5.945 where: short stacking energy: -5.972 Base-Backbone interact. energy: -0.000 local terms energy: -16.063328 where: bonds (distance) C4'-P energy: -3.977 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.451 flat angles P-C4'-P energy: -2.294 tors. eta vs tors. theta energy: -0.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -19.501104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.501104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.501104 (E_RNA) where: Base-Base interactions energy: -3.389 where: short stacking energy: -3.389 Base-Backbone interact. energy: -0.000 local terms energy: -16.111762 where: bonds (distance) C4'-P energy: -2.950 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.589 flat angles P-C4'-P energy: -3.251 tors. eta vs tors. theta energy: -1.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -19.473616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.473616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.473616 (E_RNA) where: Base-Base interactions energy: -2.904 where: short stacking energy: -2.904 Base-Backbone interact. energy: -0.002 local terms energy: -16.567473 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.217 flat angles P-C4'-P energy: -0.996 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: 1, replica: 10 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -29.067965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.067965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.067965 (E_RNA) where: Base-Base interactions energy: -11.975 where: short stacking energy: -11.975 Base-Backbone interact. energy: -0.000 local terms energy: -17.092964 where: bonds (distance) C4'-P energy: -2.014 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.027 flat angles P-C4'-P energy: -2.941 tors. eta vs tors. theta energy: -2.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -29.135723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.135723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.135723 (E_RNA) where: Base-Base interactions energy: -11.613 where: short stacking energy: -11.613 Base-Backbone interact. energy: -0.000 local terms energy: -17.522854 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.709 flat angles P-C4'-P energy: -2.435 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: 3, replica: 4 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -28.114071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.114071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.114071 (E_RNA) where: Base-Base interactions energy: -10.864 where: short stacking energy: -10.864 Base-Backbone interact. energy: -0.012 local terms energy: -17.238504 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -3.723 flat angles C4'-P-C4' energy: -4.025 flat angles P-C4'-P energy: -2.893 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: 4, replica: 8 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -26.554471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.554471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.554471 (E_RNA) where: Base-Base interactions energy: -9.757 where: short stacking energy: -9.757 Base-Backbone interact. energy: -0.000 local terms energy: -16.797497 where: bonds (distance) C4'-P energy: -3.595 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.157 flat angles P-C4'-P energy: -2.573 tors. eta vs tors. theta energy: -2.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -27.676898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.676898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.676898 (E_RNA) where: Base-Base interactions energy: -7.676 where: short stacking energy: -7.676 Base-Backbone interact. energy: -0.000 local terms energy: -20.000718 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -2.706 flat angles P-C4'-P energy: -3.319 tors. eta vs tors. theta energy: -4.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -25.688222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.688222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.688222 (E_RNA) where: Base-Base interactions energy: -7.856 where: short stacking energy: -7.856 Base-Backbone interact. energy: -0.000 local terms energy: -17.832431 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -3.321 flat angles P-C4'-P energy: -3.780 tors. eta vs tors. theta energy: -1.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -21.970301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.970301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.970301 (E_RNA) where: Base-Base interactions energy: -7.776 where: short stacking energy: -7.776 Base-Backbone interact. energy: -0.000 local terms energy: -14.193823 where: bonds (distance) C4'-P energy: -3.799 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -3.035 flat angles P-C4'-P energy: -1.910 tors. eta vs tors. theta energy: -1.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -21.317117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.317117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.317117 (E_RNA) where: Base-Base interactions energy: -4.725 where: short stacking energy: -4.725 Base-Backbone interact. energy: -0.031 local terms energy: -16.561138 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -3.248 flat angles P-C4'-P energy: -2.423 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: 9, replica: 2 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -25.209761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.209761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.209761 (E_RNA) where: Base-Base interactions energy: -11.613 where: short stacking energy: -11.613 Base-Backbone interact. energy: -0.000 local terms energy: -13.597192 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -1.020 flat angles P-C4'-P energy: -1.028 tors. eta vs tors. theta energy: -2.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -19.820017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.820017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.820017 (E_RNA) where: Base-Base interactions energy: -3.583 where: short stacking energy: -3.583 Base-Backbone interact. energy: -0.080 local terms energy: -16.156310 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.078 flat angles C4'-P-C4' energy: -4.116 flat angles P-C4'-P energy: -3.747 tors. eta vs tors. theta energy: 0.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -27.807587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.807587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.807587 (E_RNA) where: Base-Base interactions energy: -9.778 where: short stacking energy: -9.778 Base-Backbone interact. energy: -0.000 local terms energy: -18.029236 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -3.726 flat angles C4'-P-C4' energy: -4.498 flat angles P-C4'-P energy: -3.140 tors. eta vs tors. theta energy: -2.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -25.480329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.480329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.480329 (E_RNA) where: Base-Base interactions energy: -6.691 where: short stacking energy: -6.691 Base-Backbone interact. energy: -0.001 local terms energy: -18.788153 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.082 flat angles C4'-P-C4' energy: -3.570 flat angles P-C4'-P energy: -3.363 tors. eta vs tors. theta energy: -3.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -27.598751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.598751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.598751 (E_RNA) where: Base-Base interactions energy: -10.834 where: short stacking energy: -10.834 Base-Backbone interact. energy: -0.000 local terms energy: -16.764791 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -3.815 flat angles C4'-P-C4' energy: -4.205 flat angles P-C4'-P energy: -2.754 tors. eta vs tors. theta energy: -1.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -26.435917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.435917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.435917 (E_RNA) where: Base-Base interactions energy: -7.272 where: short stacking energy: -7.272 Base-Backbone interact. energy: -0.002 local terms energy: -19.161339 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.631 flat angles C4'-P-C4' energy: -3.624 flat angles P-C4'-P energy: -3.339 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: 5, replica: 3 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -27.880749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.880749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.880749 (E_RNA) where: Base-Base interactions energy: -8.072 where: short stacking energy: -8.072 Base-Backbone interact. energy: -0.000 local terms energy: -19.808673 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -1.973 flat angles P-C4'-P energy: -3.509 tors. eta vs tors. theta energy: -5.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -25.520515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.520515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.520515 (E_RNA) where: Base-Base interactions energy: -10.401 where: short stacking energy: -10.401 Base-Backbone interact. energy: -0.000 local terms energy: -15.119209 where: bonds (distance) C4'-P energy: -3.053 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -2.125 flat angles P-C4'-P energy: -2.276 tors. eta vs tors. theta energy: -3.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -21.040216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.040216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.040216 (E_RNA) where: Base-Base interactions energy: -4.777 where: short stacking energy: -4.777 Base-Backbone interact. energy: -0.058 local terms energy: -16.205325 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -4.051 flat angles C4'-P-C4' energy: -4.205 flat angles P-C4'-P energy: -2.990 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: 8, replica: 7 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -24.049787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.049787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.049787 (E_RNA) where: Base-Base interactions energy: -4.461 where: short stacking energy: -4.461 Base-Backbone interact. energy: -0.010 local terms energy: -19.579604 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.050 flat angles P-C4'-P energy: -3.887 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: 9, replica: 5 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -20.642802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.642802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.642802 (E_RNA) where: Base-Base interactions energy: -5.594 where: short stacking energy: -5.594 Base-Backbone interact. energy: -0.000 local terms energy: -15.049107 where: bonds (distance) C4'-P energy: -2.201 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -3.022 flat angles P-C4'-P energy: -3.692 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: 2 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -23.617575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.617575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.617575 (E_RNA) where: Base-Base interactions energy: -7.782 where: short stacking energy: -7.782 Base-Backbone interact. energy: -0.007 local terms energy: -15.829164 where: bonds (distance) C4'-P energy: -2.539 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.595 flat angles P-C4'-P energy: -2.659 tors. eta vs tors. theta energy: -0.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -23.827426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.827426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.827426 (E_RNA) where: Base-Base interactions energy: -7.745 where: short stacking energy: -7.745 Base-Backbone interact. energy: -0.000 local terms energy: -16.082745 where: bonds (distance) C4'-P energy: -4.009 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.676 flat angles P-C4'-P energy: -2.434 tors. eta vs tors. theta energy: 0.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -23.993969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.993969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.993969 (E_RNA) where: Base-Base interactions energy: -8.109 where: short stacking energy: -8.109 Base-Backbone interact. energy: -0.002 local terms energy: -15.883090 where: bonds (distance) C4'-P energy: -4.750 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.942 flat angles P-C4'-P energy: -1.542 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: 3, replica: 10 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -26.956865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.956865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.956865 (E_RNA) where: Base-Base interactions energy: -10.547 where: short stacking energy: -10.547 Base-Backbone interact. energy: -0.000 local terms energy: -16.410141 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -3.321 flat angles C4'-P-C4' energy: -4.780 flat angles P-C4'-P energy: -2.942 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: 4, replica: 3 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -25.975994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.975994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.975994 (E_RNA) where: Base-Base interactions energy: -7.381 where: short stacking energy: -7.381 Base-Backbone interact. energy: -0.000 local terms energy: -18.594832 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -3.966 flat angles C4'-P-C4' energy: -3.386 flat angles P-C4'-P energy: -2.821 tors. eta vs tors. theta energy: -4.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -23.765079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.765079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.765079 (E_RNA) where: Base-Base interactions energy: -5.536 where: short stacking energy: -5.536 Base-Backbone interact. energy: -0.000 local terms energy: -18.228488 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -2.644 flat angles P-C4'-P energy: -2.495 tors. eta vs tors. theta energy: -5.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -23.441685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.441685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.441685 (E_RNA) where: Base-Base interactions energy: -7.065 where: short stacking energy: -7.065 Base-Backbone interact. energy: -0.060 local terms energy: -16.316230 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.205 flat angles C4'-P-C4' energy: -4.182 flat angles P-C4'-P energy: -2.870 tors. eta vs tors. theta energy: -0.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -23.879118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.879118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.879118 (E_RNA) where: Base-Base interactions energy: -6.724 where: short stacking energy: -6.724 Base-Backbone interact. energy: -0.010 local terms energy: -17.144680 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.209 flat angles C4'-P-C4' energy: -4.012 flat angles P-C4'-P energy: -3.723 tors. eta vs tors. theta energy: -1.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -23.466457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.466457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.466457 (E_RNA) where: Base-Base interactions energy: -5.616 where: short stacking energy: -5.616 Base-Backbone interact. energy: -0.000 local terms energy: -17.850416 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -4.471 flat angles P-C4'-P energy: -1.676 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: 7 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -20.297039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.297039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.297039 (E_RNA) where: Base-Base interactions energy: -4.454 where: short stacking energy: -4.454 Base-Backbone interact. energy: -0.001 local terms energy: -15.841920 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.531 flat angles P-C4'-P energy: -3.438 tors. eta vs tors. theta energy: -0.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -20.980638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.980638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.980638 (E_RNA) where: Base-Base interactions energy: -5.116 where: short stacking energy: -5.116 Base-Backbone interact. energy: -0.001 local terms energy: -15.863390 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -3.916 flat angles C4'-P-C4' energy: -4.377 flat angles P-C4'-P energy: -3.054 tors. eta vs tors. theta energy: -0.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -27.713515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.713515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.713515 (E_RNA) where: Base-Base interactions energy: -10.793 where: short stacking energy: -10.793 Base-Backbone interact. energy: -0.000 local terms energy: -16.920674 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.111 flat angles P-C4'-P energy: -1.670 tors. eta vs tors. theta energy: -2.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -30.780956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.780956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.780956 (E_RNA) where: Base-Base interactions energy: -10.593 where: short stacking energy: -10.593 Base-Backbone interact. energy: -0.000 local terms energy: -20.187796 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -3.790 flat angles C4'-P-C4' energy: -4.357 flat angles P-C4'-P energy: -3.558 tors. eta vs tors. theta energy: -4.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -24.430074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.430074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.430074 (E_RNA) where: Base-Base interactions energy: -6.907 where: short stacking energy: -6.907 Base-Backbone interact. energy: -0.000 local terms energy: -17.523126 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.195 flat angles P-C4'-P energy: -2.717 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: 4, replica: 10 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -23.505075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.505075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.505075 (E_RNA) where: Base-Base interactions energy: -6.558 where: short stacking energy: -6.558 Base-Backbone interact. energy: -0.000 local terms energy: -16.946394 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.445 flat angles P-C4'-P energy: -3.080 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: 5, replica: 9 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -24.455436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.455436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.455436 (E_RNA) where: Base-Base interactions energy: -6.932 where: short stacking energy: -6.932 Base-Backbone interact. energy: -0.031 local terms energy: -17.492233 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -3.557 flat angles C4'-P-C4' energy: -4.909 flat angles P-C4'-P energy: -3.017 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: 6, replica: 4 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -25.848956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.848956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.848956 (E_RNA) where: Base-Base interactions energy: -7.710 where: short stacking energy: -7.710 Base-Backbone interact. energy: -0.000 local terms energy: -18.138878 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -3.103 flat angles C4'-P-C4' energy: -3.200 flat angles P-C4'-P energy: -3.257 tors. eta vs tors. theta energy: -4.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -22.553002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.553002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.553002 (E_RNA) where: Base-Base interactions energy: -7.078 where: short stacking energy: -7.078 Base-Backbone interact. energy: -0.003 local terms energy: -15.471764 where: bonds (distance) C4'-P energy: -2.395 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.491 flat angles P-C4'-P energy: -3.851 tors. eta vs tors. theta energy: -0.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -21.088837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.088837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.088837 (E_RNA) where: Base-Base interactions energy: -3.747 where: short stacking energy: -3.747 Base-Backbone interact. energy: -0.001 local terms energy: -17.340901 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.051 flat angles C4'-P-C4' energy: -3.660 flat angles P-C4'-P energy: -3.702 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: 9, replica: 2 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -21.615749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.615749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.615749 (E_RNA) where: Base-Base interactions energy: -5.523 where: short stacking energy: -5.523 Base-Backbone interact. energy: -0.000 local terms energy: -16.092563 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.692 flat angles P-C4'-P energy: -2.686 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: 7 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -22.661266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.661266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.661266 (E_RNA) where: Base-Base interactions energy: -8.373 where: short stacking energy: -8.373 Base-Backbone interact. energy: -0.000 local terms energy: -14.287939 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -0.446 flat angles P-C4'-P energy: -1.428 tors. eta vs tors. theta energy: -2.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -26.954364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.954364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.954364 (E_RNA) where: Base-Base interactions energy: -10.903 where: short stacking energy: -10.903 Base-Backbone interact. energy: -0.000 local terms energy: -16.051349 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.344 flat angles P-C4'-P energy: -1.215 tors. eta vs tors. theta energy: -1.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -27.385287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.385287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.385287 (E_RNA) where: Base-Base interactions energy: -7.195 where: short stacking energy: -7.195 Base-Backbone interact. energy: -0.000 local terms energy: -20.190615 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.395 flat angles C4'-P-C4' energy: -3.814 flat angles P-C4'-P energy: -2.479 tors. eta vs tors. theta energy: -4.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -21.646631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.646631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.646631 (E_RNA) where: Base-Base interactions energy: -4.259 where: short stacking energy: -4.259 Base-Backbone interact. energy: -0.084 local terms energy: -17.303649 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.659 flat angles C4'-P-C4' energy: -4.286 flat angles P-C4'-P energy: -2.592 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: 4, replica: 9 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -27.387831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.387831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.387831 (E_RNA) where: Base-Base interactions energy: -9.614 where: short stacking energy: -9.614 Base-Backbone interact. energy: -0.000 local terms energy: -17.773845 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -3.751 flat angles C4'-P-C4' energy: -4.890 flat angles P-C4'-P energy: -2.406 tors. eta vs tors. theta energy: -2.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -23.889286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.889286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.889286 (E_RNA) where: Base-Base interactions energy: -6.604 where: short stacking energy: -6.604 Base-Backbone interact. energy: -0.000 local terms energy: -17.285521 where: bonds (distance) C4'-P energy: -3.045 bonds (distance) P-C4' energy: -3.751 flat angles C4'-P-C4' energy: -3.827 flat angles P-C4'-P energy: -3.424 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: 6, replica: 5 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -21.466010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.466010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.466010 (E_RNA) where: Base-Base interactions energy: -6.042 where: short stacking energy: -6.827 Base-Backbone interact. energy: -0.014 local terms energy: -15.410001 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.345 flat angles C4'-P-C4' energy: -2.913 flat angles P-C4'-P energy: -3.191 tors. eta vs tors. theta energy: -1.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -20.571334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.571334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.571334 (E_RNA) where: Base-Base interactions energy: -9.459 where: short stacking energy: -9.459 Base-Backbone interact. energy: -0.123 local terms energy: -10.989155 where: bonds (distance) C4'-P energy: -1.455 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -2.982 flat angles P-C4'-P energy: -2.874 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: 8, replica: 2 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -20.473162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.473162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.473162 (E_RNA) where: Base-Base interactions energy: -6.328 where: short stacking energy: -6.328 Base-Backbone interact. energy: -0.001 local terms energy: -14.143751 where: bonds (distance) C4'-P energy: -4.171 bonds (distance) P-C4' energy: -3.349 flat angles C4'-P-C4' energy: -3.201 flat angles P-C4'-P energy: -3.759 tors. eta vs tors. theta energy: 0.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -22.437537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.437537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.437537 (E_RNA) where: Base-Base interactions energy: -2.811 where: short stacking energy: -2.811 Base-Backbone interact. energy: -0.000 local terms energy: -19.626173 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.044 flat angles C4'-P-C4' energy: -4.008 flat angles P-C4'-P energy: -3.891 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: 7 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -20.800452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.800452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.800452 (E_RNA) where: Base-Base interactions energy: -3.667 where: short stacking energy: -3.667 Base-Backbone interact. energy: -0.084 local terms energy: -17.049405 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.051 flat angles C4'-P-C4' energy: -4.290 flat angles P-C4'-P energy: -3.433 tors. eta vs tors. theta energy: -1.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -29.688242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.688242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.688242 (E_RNA) where: Base-Base interactions energy: -11.243 where: short stacking energy: -11.243 Base-Backbone interact. energy: -0.002 local terms energy: -18.443430 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.351 flat angles P-C4'-P energy: -3.338 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: 2, replica: 8 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -31.144389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.144389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.144389 (E_RNA) where: Base-Base interactions energy: -12.171 where: short stacking energy: -12.171 Base-Backbone interact. energy: -0.000 local terms energy: -18.973823 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -3.916 flat angles P-C4'-P energy: -1.820 tors. eta vs tors. theta energy: -4.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -30.359020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.359020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.359020 (E_RNA) where: Base-Base interactions energy: -11.242 where: short stacking energy: -11.242 Base-Backbone interact. energy: -0.000 local terms energy: -19.116820 where: bonds (distance) C4'-P energy: -3.397 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.396 flat angles P-C4'-P energy: -3.563 tors. eta vs tors. theta energy: -3.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -23.888915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.888915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.888915 (E_RNA) where: Base-Base interactions energy: -7.258 where: short stacking energy: -7.258 Base-Backbone interact. energy: -0.024 local terms energy: -16.606374 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -3.923 flat angles C4'-P-C4' energy: -3.570 flat angles P-C4'-P energy: -3.196 tors. eta vs tors. theta energy: -1.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -25.093763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.093763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.093763 (E_RNA) where: Base-Base interactions energy: -7.805 where: short stacking energy: -7.805 Base-Backbone interact. energy: -0.000 local terms energy: -17.289028 where: bonds (distance) C4'-P energy: -4.125 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.218 flat angles P-C4'-P energy: -0.914 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: 6, replica: 10 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -27.006359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.006359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.006359 (E_RNA) where: Base-Base interactions energy: -7.846 where: short stacking energy: -7.846 Base-Backbone interact. energy: -0.011 local terms energy: -19.148992 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.786 flat angles P-C4'-P energy: -3.757 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: 7, replica: 2 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -22.835460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.835460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.835460 (E_RNA) where: Base-Base interactions energy: -7.729 where: short stacking energy: -7.729 Base-Backbone interact. energy: -0.152 local terms energy: -14.954456 where: bonds (distance) C4'-P energy: -3.194 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -3.123 flat angles P-C4'-P energy: -3.921 tors. eta vs tors. theta energy: -0.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -24.158612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.158612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.158612 (E_RNA) where: Base-Base interactions energy: -6.061 where: short stacking energy: -6.061 Base-Backbone interact. energy: -0.005 local terms energy: -18.092892 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.271 flat angles P-C4'-P energy: -2.977 tors. eta vs tors. theta energy: -2.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -22.838478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.838478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.838478 (E_RNA) where: Base-Base interactions energy: -5.954 where: short stacking energy: -5.954 Base-Backbone interact. energy: -0.002 local terms energy: -16.881559 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -2.107 flat angles P-C4'-P energy: -3.525 tors. eta vs tors. theta energy: -2.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -22.572493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.572493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.572493 (E_RNA) where: Base-Base interactions energy: -3.930 where: short stacking energy: -3.930 Base-Backbone interact. energy: -0.000 local terms energy: -18.642691 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.717 flat angles P-C4'-P energy: -2.075 tors. eta vs tors. theta energy: -3.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -28.593588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.593588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.593588 (E_RNA) where: Base-Base interactions energy: -7.593 where: short stacking energy: -7.593 Base-Backbone interact. energy: -0.000 local terms energy: -21.000112 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -4.663 flat angles P-C4'-P energy: -3.044 tors. eta vs tors. theta energy: -4.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -32.843128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.843128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.843128 (E_RNA) where: Base-Base interactions energy: -12.902 where: short stacking energy: -12.902 Base-Backbone interact. energy: -0.000 local terms energy: -19.941559 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.420 flat angles C4'-P-C4' energy: -3.726 flat angles P-C4'-P energy: -3.690 tors. eta vs tors. theta energy: -4.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -29.914052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.914052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.914052 (E_RNA) where: Base-Base interactions energy: -10.092 where: short stacking energy: -10.092 Base-Backbone interact. energy: -0.001 local terms energy: -19.821135 where: bonds (distance) C4'-P energy: -3.070 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.633 flat angles P-C4'-P energy: -2.725 tors. eta vs tors. theta energy: -4.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -21.499454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.499454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.499454 (E_RNA) where: Base-Base interactions energy: -3.057 where: short stacking energy: -3.057 Base-Backbone interact. energy: -0.001 local terms energy: -18.441713 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.758 flat angles P-C4'-P energy: -3.721 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: 3 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -23.505390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.505390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.505390 (E_RNA) where: Base-Base interactions energy: -6.609 where: short stacking energy: -6.609 Base-Backbone interact. energy: -0.000 local terms energy: -16.896226 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -4.343 flat angles C4'-P-C4' energy: -3.871 flat angles P-C4'-P energy: -1.279 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: 6, replica: 10 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -25.777945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.777945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.777945 (E_RNA) where: Base-Base interactions energy: -10.247 where: short stacking energy: -10.247 Base-Backbone interact. energy: -0.003 local terms energy: -15.527128 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -3.134 flat angles C4'-P-C4' energy: -4.271 flat angles P-C4'-P energy: -3.170 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: 7, replica: 2 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -22.130073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.130073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.130073 (E_RNA) where: Base-Base interactions energy: -4.904 where: short stacking energy: -4.904 Base-Backbone interact. energy: -0.001 local terms energy: -17.224925 where: bonds (distance) C4'-P energy: -4.018 bonds (distance) P-C4' energy: -4.336 flat angles C4'-P-C4' energy: -3.501 flat angles P-C4'-P energy: -3.159 tors. eta vs tors. theta energy: -2.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -21.403224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.403224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.403224 (E_RNA) where: Base-Base interactions energy: -4.428 where: short stacking energy: -4.428 Base-Backbone interact. energy: -0.000 local terms energy: -16.974780 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -2.766 flat angles P-C4'-P energy: -1.289 tors. eta vs tors. theta energy: -3.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -20.784708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.784708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.784708 (E_RNA) where: Base-Base interactions energy: -5.772 where: short stacking energy: -5.772 Base-Backbone interact. energy: -0.062 local terms energy: -14.950715 where: bonds (distance) C4'-P energy: -3.583 bonds (distance) P-C4' energy: -3.490 flat angles C4'-P-C4' energy: -4.241 flat angles P-C4'-P energy: -4.042 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: 10, replica: 1 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -23.662234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.662234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.662234 (E_RNA) where: Base-Base interactions energy: -4.039 where: short stacking energy: -4.039 Base-Backbone interact. energy: -0.000 local terms energy: -19.623406 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.288 flat angles P-C4'-P energy: -2.313 tors. eta vs tors. theta energy: -4.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -28.428131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.428131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.428131 (E_RNA) where: Base-Base interactions energy: -10.153 where: short stacking energy: -10.153 Base-Backbone interact. energy: -0.000 local terms energy: -18.275203 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.911 flat angles P-C4'-P energy: -2.456 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: 2, replica: 6 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -27.663164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.663164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.663164 (E_RNA) where: Base-Base interactions energy: -9.869 where: short stacking energy: -9.869 Base-Backbone interact. energy: -0.000 local terms energy: -17.793881 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -2.413 flat angles P-C4'-P energy: -2.246 tors. eta vs tors. theta energy: -3.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -22.916342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.916342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.916342 (E_RNA) where: Base-Base interactions energy: -3.820 where: short stacking energy: -3.820 Base-Backbone interact. energy: -0.058 local terms energy: -19.038711 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.045 flat angles P-C4'-P energy: -2.941 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: 4, replica: 8 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -22.182609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.182609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.182609 (E_RNA) where: Base-Base interactions energy: -6.283 where: short stacking energy: -6.283 Base-Backbone interact. energy: -0.003 local terms energy: -15.897423 where: bonds (distance) C4'-P energy: -3.036 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.257 flat angles P-C4'-P energy: -3.780 tors. eta vs tors. theta energy: 0.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -27.876405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.876405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.876405 (E_RNA) where: Base-Base interactions energy: -10.508 where: short stacking energy: -10.508 Base-Backbone interact. energy: -0.000 local terms energy: -17.367952 where: bonds (distance) C4'-P energy: -3.190 bonds (distance) P-C4' energy: -5.128 flat angles C4'-P-C4' energy: -4.011 flat angles P-C4'-P energy: -3.165 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: 6, replica: 3 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -25.069335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.069335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.069335 (E_RNA) where: Base-Base interactions energy: -8.702 where: short stacking energy: -8.702 Base-Backbone interact. energy: -0.000 local terms energy: -16.367705 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -1.830 flat angles P-C4'-P energy: -2.024 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: 7, replica: 7 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -21.604904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.604904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.604904 (E_RNA) where: Base-Base interactions energy: -7.081 where: short stacking energy: -7.081 Base-Backbone interact. energy: -0.000 local terms energy: -14.523737 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -3.364 flat angles C4'-P-C4' energy: -3.479 flat angles P-C4'-P energy: -3.518 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: 8, replica: 2 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -23.044822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.044822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.044822 (E_RNA) where: Base-Base interactions energy: -9.982 where: short stacking energy: -9.982 Base-Backbone interact. energy: -0.041 local terms energy: -13.022192 where: bonds (distance) C4'-P energy: -2.892 bonds (distance) P-C4' energy: -2.373 flat angles C4'-P-C4' energy: -2.625 flat angles P-C4'-P energy: -3.145 tors. eta vs tors. theta energy: -1.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -18.929668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.929668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.929668 (E_RNA) where: Base-Base interactions energy: -5.012 where: short stacking energy: -5.012 Base-Backbone interact. energy: -0.000 local terms energy: -13.917596 where: bonds (distance) C4'-P energy: -2.908 bonds (distance) P-C4' energy: -3.818 flat angles C4'-P-C4' energy: -3.782 flat angles P-C4'-P energy: -2.384 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: 4 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -21.890147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.890147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.890147 (E_RNA) where: Base-Base interactions energy: -6.362 where: short stacking energy: -6.362 Base-Backbone interact. energy: -0.187 local terms energy: -15.340754 where: bonds (distance) C4'-P energy: -3.861 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.311 flat angles P-C4'-P energy: -2.821 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: 1, replica: 9 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -25.287423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.287423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.287423 (E_RNA) where: Base-Base interactions energy: -8.059 where: short stacking energy: -8.059 Base-Backbone interact. energy: -0.001 local terms energy: -17.227530 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -3.919 flat angles P-C4'-P energy: -3.522 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: 2, replica: 5 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -24.816043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.816043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.816043 (E_RNA) where: Base-Base interactions energy: -7.476 where: short stacking energy: -7.476 Base-Backbone interact. energy: -0.000 local terms energy: -17.339564 where: bonds (distance) C4'-P energy: -3.889 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -2.995 flat angles P-C4'-P energy: -2.456 tors. eta vs tors. theta energy: -2.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -20.222870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.222870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.222870 (E_RNA) where: Base-Base interactions energy: -7.662 where: short stacking energy: -7.662 Base-Backbone interact. energy: -0.002 local terms energy: -12.558979 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -1.183 flat angles C4'-P-C4' energy: -3.596 flat angles P-C4'-P energy: -3.708 tors. eta vs tors. theta energy: -0.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -25.776165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.776165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.776165 (E_RNA) where: Base-Base interactions energy: -5.144 where: short stacking energy: -5.144 Base-Backbone interact. energy: -0.002 local terms energy: -20.630167 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.854 flat angles P-C4'-P energy: -3.454 tors. eta vs tors. theta energy: -2.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -26.107419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.107419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.107419 (E_RNA) where: Base-Base interactions energy: -10.357 where: short stacking energy: -10.357 Base-Backbone interact. energy: -0.000 local terms energy: -15.749993 where: bonds (distance) C4'-P energy: -0.611 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -2.928 flat angles P-C4'-P energy: -3.530 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: 6, replica: 7 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -22.563062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.563062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.563062 (E_RNA) where: Base-Base interactions energy: -6.987 where: short stacking energy: -6.987 Base-Backbone interact. energy: -0.000 local terms energy: -15.576412 where: bonds (distance) C4'-P energy: -0.094 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -2.490 flat angles P-C4'-P energy: -3.928 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: 7, replica: 3 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -22.569831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.569831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.569831 (E_RNA) where: Base-Base interactions energy: -4.915 where: short stacking energy: -4.915 Base-Backbone interact. energy: -0.000 local terms energy: -17.654734 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.415 flat angles P-C4'-P energy: -2.657 tors. eta vs tors. theta energy: -1.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -20.505193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.505193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.505193 (E_RNA) where: Base-Base interactions energy: -4.226 where: short stacking energy: -4.226 Base-Backbone interact. energy: -0.000 local terms energy: -16.279220 where: bonds (distance) C4'-P energy: -3.335 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.183 flat angles P-C4'-P energy: -1.904 tors. eta vs tors. theta energy: -1.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -23.344648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.344648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.344648 (E_RNA) where: Base-Base interactions energy: -6.458 where: short stacking energy: -6.458 Base-Backbone interact. energy: -0.000 local terms energy: -16.886864 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -3.360 flat angles C4'-P-C4' energy: -4.890 flat angles P-C4'-P energy: -3.119 tors. eta vs tors. theta energy: -1.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -22.574261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.574261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.574261 (E_RNA) where: Base-Base interactions energy: -7.136 where: short stacking energy: -7.136 Base-Backbone interact. energy: -0.012 local terms energy: -15.426189 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.928 flat angles P-C4'-P energy: -3.376 tors. eta vs tors. theta energy: -0.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -23.070209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.070209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.070209 (E_RNA) where: Base-Base interactions energy: -7.693 where: short stacking energy: -7.693 Base-Backbone interact. energy: -0.000 local terms energy: -15.376762 where: bonds (distance) C4'-P energy: -1.496 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.628 flat angles P-C4'-P energy: -3.214 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: 2, replica: 5 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -27.221504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.221504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.221504 (E_RNA) where: Base-Base interactions energy: -8.067 where: short stacking energy: -8.067 Base-Backbone interact. energy: -0.000 local terms energy: -19.154629 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.272 flat angles P-C4'-P energy: -3.920 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: 3, replica: 10 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -30.806361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.806361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.806361 (E_RNA) where: Base-Base interactions energy: -11.433 where: short stacking energy: -11.433 Base-Backbone interact. energy: -0.000 local terms energy: -19.373496 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.327 flat angles P-C4'-P energy: -3.787 tors. eta vs tors. theta energy: -2.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -23.197351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.197351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.197351 (E_RNA) where: Base-Base interactions energy: -8.068 where: short stacking energy: -8.068 Base-Backbone interact. energy: -0.001 local terms energy: -15.128190 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -1.645 flat angles P-C4'-P energy: -2.123 tors. eta vs tors. theta energy: -2.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -22.046702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.046702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.046702 (E_RNA) where: Base-Base interactions energy: -6.422 where: short stacking energy: -6.422 Base-Backbone interact. energy: -0.000 local terms energy: -15.624689 where: bonds (distance) C4'-P energy: -4.279 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -4.557 flat angles P-C4'-P energy: -1.683 tors. eta vs tors. theta energy: -0.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -23.743038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.743038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.743038 (E_RNA) where: Base-Base interactions energy: -6.402 where: short stacking energy: -6.402 Base-Backbone interact. energy: -0.031 local terms energy: -17.310223 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.339 flat angles C4'-P-C4' energy: -3.680 flat angles P-C4'-P energy: -3.730 tors. eta vs tors. theta energy: -1.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -24.459443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.459443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.459443 (E_RNA) where: Base-Base interactions energy: -9.124 where: short stacking energy: -9.124 Base-Backbone interact. energy: -0.000 local terms energy: -15.335226 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -2.560 flat angles P-C4'-P energy: -2.789 tors. eta vs tors. theta energy: -1.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -20.990357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.990357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.990357 (E_RNA) where: Base-Base interactions energy: -7.983 where: short stacking energy: -7.983 Base-Backbone interact. energy: -0.001 local terms energy: -13.006314 where: bonds (distance) C4'-P energy: -2.539 bonds (distance) P-C4' energy: -3.560 flat angles C4'-P-C4' energy: -3.007 flat angles P-C4'-P energy: -3.891 tors. eta vs tors. theta energy: -0.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -26.808488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.808488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.808488 (E_RNA) where: Base-Base interactions energy: -7.626 where: short stacking energy: -7.626 Base-Backbone interact. energy: -0.000 local terms energy: -19.182046 where: bonds (distance) C4'-P energy: -3.823 bonds (distance) P-C4' energy: -5.128 flat angles C4'-P-C4' energy: -4.346 flat angles P-C4'-P energy: -1.976 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: 10, replica: 2 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -21.168859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.168859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.168859 (E_RNA) where: Base-Base interactions energy: -4.373 where: short stacking energy: -4.373 Base-Backbone interact. energy: -0.010 local terms energy: -16.785615 where: bonds (distance) C4'-P energy: -2.681 bonds (distance) P-C4' energy: -3.748 flat angles C4'-P-C4' energy: -4.836 flat angles P-C4'-P energy: -3.939 tors. eta vs tors. theta energy: -1.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -29.850029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.850029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.850029 (E_RNA) where: Base-Base interactions energy: -10.561 where: short stacking energy: -10.561 Base-Backbone interact. energy: -0.000 local terms energy: -19.289107 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.995 flat angles P-C4'-P energy: -3.404 tors. eta vs tors. theta energy: -2.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -30.209081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.209081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.209081 (E_RNA) where: Base-Base interactions energy: -10.418 where: short stacking energy: -10.418 Base-Backbone interact. energy: -0.000 local terms energy: -19.791068 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -4.888 flat angles P-C4'-P energy: -2.328 tors. eta vs tors. theta energy: -4.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -27.362941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.362941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.362941 (E_RNA) where: Base-Base interactions energy: -10.482 where: short stacking energy: -10.482 Base-Backbone interact. energy: -0.000 local terms energy: -16.880957 where: bonds (distance) C4'-P energy: -3.799 bonds (distance) P-C4' energy: -3.557 flat angles C4'-P-C4' energy: -3.976 flat angles P-C4'-P energy: -1.894 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: 4, replica: 7 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -25.380852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.380852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.380852 (E_RNA) where: Base-Base interactions energy: -8.307 where: short stacking energy: -8.307 Base-Backbone interact. energy: -0.000 local terms energy: -17.074093 where: bonds (distance) C4'-P energy: -2.892 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.203 flat angles P-C4'-P energy: -2.056 tors. eta vs tors. theta energy: -4.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -25.171711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.171711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.171711 (E_RNA) where: Base-Base interactions energy: -7.946 where: short stacking energy: -7.946 Base-Backbone interact. energy: -0.000 local terms energy: -17.226182 where: bonds (distance) C4'-P energy: -3.637 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.034 flat angles P-C4'-P energy: -2.957 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: 6, replica: 3 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -21.882597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.882597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.882597 (E_RNA) where: Base-Base interactions energy: -7.032 where: short stacking energy: -7.032 Base-Backbone interact. energy: -0.071 local terms energy: -14.778709 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.054 flat angles C4'-P-C4' energy: -4.138 flat angles P-C4'-P energy: -2.768 tors. eta vs tors. theta energy: -0.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -22.503553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.503553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.503553 (E_RNA) where: Base-Base interactions energy: -6.748 where: short stacking energy: -6.748 Base-Backbone interact. energy: -0.048 local terms energy: -15.707815 where: bonds (distance) C4'-P energy: -2.834 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.727 flat angles P-C4'-P energy: -2.960 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: 8, replica: 4 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -20.685951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.685951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.685951 (E_RNA) where: Base-Base interactions energy: -7.044 where: short stacking energy: -7.044 Base-Backbone interact. energy: -0.008 local terms energy: -13.633343 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -1.472 flat angles C4'-P-C4' energy: -3.712 flat angles P-C4'-P energy: -3.787 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: 1 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -20.526879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.526879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.526879 (E_RNA) where: Base-Base interactions energy: -3.919 where: short stacking energy: -3.919 Base-Backbone interact. energy: -0.023 local terms energy: -16.585647 where: bonds (distance) C4'-P energy: -3.406 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.487 flat angles P-C4'-P energy: -2.990 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: 10, replica: 2 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -20.002826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.002826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.002826 (E_RNA) where: Base-Base interactions energy: -4.746 where: short stacking energy: -4.746 Base-Backbone interact. energy: -0.025 local terms energy: -15.232139 where: bonds (distance) C4'-P energy: -2.201 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.940 flat angles P-C4'-P energy: -2.665 tors. eta vs tors. theta energy: -1.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -32.610225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.610225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.610225 (E_RNA) where: Base-Base interactions energy: -10.583 where: short stacking energy: -10.583 Base-Backbone interact. energy: -0.000 local terms energy: -22.027698 where: bonds (distance) C4'-P energy: -4.279 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -3.853 flat angles P-C4'-P energy: -3.759 tors. eta vs tors. theta energy: -5.538 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: 9 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -25.891405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.891405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.891405 (E_RNA) where: Base-Base interactions energy: -6.661 where: short stacking energy: -6.661 Base-Backbone interact. energy: -0.000 local terms energy: -19.230227 where: bonds (distance) C4'-P energy: -3.595 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.290 flat angles P-C4'-P energy: -3.441 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: 3, replica: 5 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -30.450245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.450245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.450245 (E_RNA) where: Base-Base interactions energy: -10.928 where: short stacking energy: -10.928 Base-Backbone interact. energy: -0.000 local terms energy: -19.521929 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -2.882 flat angles P-C4'-P energy: -3.020 tors. eta vs tors. theta energy: -4.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -24.752059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.752059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.752059 (E_RNA) where: Base-Base interactions energy: -6.549 where: short stacking energy: -6.734 Base-Backbone interact. energy: -0.009 local terms energy: -18.194477 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.578 flat angles C4'-P-C4' energy: -4.471 flat angles P-C4'-P energy: -2.222 tors. eta vs tors. theta energy: -2.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -22.059580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.059580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.059580 (E_RNA) where: Base-Base interactions energy: -4.196 where: short stacking energy: -4.196 Base-Backbone interact. energy: -0.004 local terms energy: -17.859118 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -4.392 flat angles C4'-P-C4' energy: -4.379 flat angles P-C4'-P energy: -3.870 tors. eta vs tors. theta energy: -1.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -22.099564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.099564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.099564 (E_RNA) where: Base-Base interactions energy: -7.116 where: short stacking energy: -7.116 Base-Backbone interact. energy: -0.000 local terms energy: -14.983733 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -2.030 flat angles P-C4'-P energy: -0.732 tors. eta vs tors. theta energy: -3.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -24.922410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.922410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.922410 (E_RNA) where: Base-Base interactions energy: -6.864 where: short stacking energy: -6.864 Base-Backbone interact. energy: -0.000 local terms energy: -18.058218 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.044 flat angles C4'-P-C4' energy: -4.540 flat angles P-C4'-P energy: -2.896 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: 8 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -20.281591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.281591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.281591 (E_RNA) where: Base-Base interactions energy: -3.799 where: short stacking energy: -3.799 Base-Backbone interact. energy: -0.011 local terms energy: -16.471331 where: bonds (distance) C4'-P energy: -4.311 bonds (distance) P-C4' energy: -4.416 flat angles C4'-P-C4' energy: -3.146 flat angles P-C4'-P energy: -2.952 tors. eta vs tors. theta energy: -1.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -22.095644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.095644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.095644 (E_RNA) where: Base-Base interactions energy: -6.487 where: short stacking energy: -6.487 Base-Backbone interact. energy: -0.000 local terms energy: -15.608792 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -3.987 flat angles C4'-P-C4' energy: -4.629 flat angles P-C4'-P energy: -1.575 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: 10, replica: 1 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -20.264800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.264800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.264800 (E_RNA) where: Base-Base interactions energy: -5.421 where: short stacking energy: -5.421 Base-Backbone interact. energy: -0.098 local terms energy: -14.745584 where: bonds (distance) C4'-P energy: -0.743 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.402 flat angles P-C4'-P energy: -2.137 tors. eta vs tors. theta energy: -2.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -28.346642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.346642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.346642 (E_RNA) where: Base-Base interactions energy: -8.611 where: short stacking energy: -8.611 Base-Backbone interact. energy: -0.000 local terms energy: -19.735604 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -4.106 flat angles P-C4'-P energy: -4.021 tors. eta vs tors. theta energy: -2.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -27.443871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.443871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.443871 (E_RNA) where: Base-Base interactions energy: -11.938 where: short stacking energy: -11.938 Base-Backbone interact. energy: -0.080 local terms energy: -15.425985 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -3.751 flat angles C4'-P-C4' energy: -3.944 flat angles P-C4'-P energy: -3.325 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: 3, replica: 9 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -24.712349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.712349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.712349 (E_RNA) where: Base-Base interactions energy: -7.722 where: short stacking energy: -7.722 Base-Backbone interact. energy: -0.000 local terms energy: -16.990248 where: bonds (distance) C4'-P energy: -2.619 bonds (distance) P-C4' energy: -3.634 flat angles C4'-P-C4' energy: -4.255 flat angles P-C4'-P energy: -3.470 tors. eta vs tors. theta energy: -3.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -23.573965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.573965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.573965 (E_RNA) where: Base-Base interactions energy: -8.342 where: short stacking energy: -8.342 Base-Backbone interact. energy: -0.000 local terms energy: -15.231514 where: bonds (distance) C4'-P energy: -1.712 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.622 flat angles P-C4'-P energy: -2.488 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: 5, replica: 7 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -28.340609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.340609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.340609 (E_RNA) where: Base-Base interactions energy: -10.508 where: short stacking energy: -10.508 Base-Backbone interact. energy: -0.000 local terms energy: -17.832358 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -3.934 flat angles P-C4'-P energy: -2.839 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: 6, replica: 6 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -20.829466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.829466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.829466 (E_RNA) where: Base-Base interactions energy: -7.624 where: short stacking energy: -7.624 Base-Backbone interact. energy: -0.093 local terms energy: -13.113245 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.106 flat angles P-C4'-P energy: -2.388 tors. eta vs tors. theta energy: 2.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -18.962263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.962263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.962263 (E_RNA) where: Base-Base interactions energy: -4.135 where: short stacking energy: -4.135 Base-Backbone interact. energy: -0.062 local terms energy: -14.764974 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -3.811 flat angles C4'-P-C4' energy: -3.432 flat angles P-C4'-P energy: -2.708 tors. eta vs tors. theta energy: -0.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -18.634260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.634260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.634260 (E_RNA) where: Base-Base interactions energy: -3.851 where: short stacking energy: -3.851 Base-Backbone interact. energy: -0.052 local terms energy: -14.731999 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.180 flat angles C4'-P-C4' energy: -2.788 flat angles P-C4'-P energy: -1.918 tors. eta vs tors. theta energy: -1.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -20.984505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.984505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.984505 (E_RNA) where: Base-Base interactions energy: -4.096 where: short stacking energy: -4.096 Base-Backbone interact. energy: -0.000 local terms energy: -16.888559 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.904 flat angles P-C4'-P energy: -2.906 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: 10, replica: 1 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -22.559156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.559156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.559156 (E_RNA) where: Base-Base interactions energy: -6.673 where: short stacking energy: -6.673 Base-Backbone interact. energy: 0.447 local terms energy: -16.332566 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.436 flat angles P-C4'-P energy: -2.695 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: 1, replica: 5 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -27.707568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.707568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.707568 (E_RNA) where: Base-Base interactions energy: -6.834 where: short stacking energy: -6.834 Base-Backbone interact. energy: -0.000 local terms energy: -20.873885 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.028 flat angles P-C4'-P energy: -3.262 tors. eta vs tors. theta energy: -4.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -26.450688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.450688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.450688 (E_RNA) where: Base-Base interactions energy: -8.933 where: short stacking energy: -8.933 Base-Backbone interact. energy: -0.001 local terms energy: -17.517082 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.379 flat angles P-C4'-P energy: -3.151 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: 3, replica: 3 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -27.320199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.320199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.320199 (E_RNA) where: Base-Base interactions energy: -10.403 where: short stacking energy: -10.403 Base-Backbone interact. energy: -0.014 local terms energy: -16.903443 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.572 flat angles C4'-P-C4' energy: -3.909 flat angles P-C4'-P energy: -1.957 tors. eta vs tors. theta energy: -2.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -26.661176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.661176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.661176 (E_RNA) where: Base-Base interactions energy: -6.699 where: short stacking energy: -6.699 Base-Backbone interact. energy: -0.000 local terms energy: -19.961866 where: bonds (distance) C4'-P energy: -3.380 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.488 flat angles P-C4'-P energy: -2.208 tors. eta vs tors. theta energy: -4.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -22.179705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.179705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.179705 (E_RNA) where: Base-Base interactions energy: -7.337 where: short stacking energy: -7.337 Base-Backbone interact. energy: -0.000 local terms energy: -14.843172 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -2.499 flat angles P-C4'-P energy: -1.200 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: 6, replica: 7 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -25.475354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.475354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.475354 (E_RNA) where: Base-Base interactions energy: -8.413 where: short stacking energy: -9.027 Base-Backbone interact. energy: -0.378 local terms energy: -16.683671 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -2.643 flat angles P-C4'-P energy: -2.973 tors. eta vs tors. theta energy: -1.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -25.032199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.032199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.032199 (E_RNA) where: Base-Base interactions energy: -7.428 where: short stacking energy: -7.428 Base-Backbone interact. energy: -0.000 local terms energy: -17.603415 where: bonds (distance) C4'-P energy: -2.275 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.453 flat angles P-C4'-P energy: -3.659 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: 8, replica: 4 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -21.595765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.595765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.595765 (E_RNA) where: Base-Base interactions energy: -3.276 where: short stacking energy: -3.276 Base-Backbone interact. energy: -0.000 local terms energy: -18.319433 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.411 flat angles P-C4'-P energy: -3.108 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: 9, replica: 1 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -20.712154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.712154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.712154 (E_RNA) where: Base-Base interactions energy: -7.460 where: short stacking energy: -7.460 Base-Backbone interact. energy: -0.000 local terms energy: -13.251598 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -1.799 flat angles C4'-P-C4' energy: -4.149 flat angles P-C4'-P energy: -3.070 tors. eta vs tors. theta energy: -0.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -20.598367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.598367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.598367 (E_RNA) where: Base-Base interactions energy: -4.049 where: short stacking energy: -4.049 Base-Backbone interact. energy: -0.001 local terms energy: -16.547554 where: bonds (distance) C4'-P energy: -2.920 bonds (distance) P-C4' energy: -3.815 flat angles C4'-P-C4' energy: -3.593 flat angles P-C4'-P energy: -3.626 tors. eta vs tors. theta energy: -2.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -28.387876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.387876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.387876 (E_RNA) where: Base-Base interactions energy: -7.588 where: short stacking energy: -7.588 Base-Backbone interact. energy: -0.000 local terms energy: -20.799156 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.432 flat angles P-C4'-P energy: -3.843 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: 2, replica: 3 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -25.312487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.312487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.312487 (E_RNA) where: Base-Base interactions energy: -6.986 where: short stacking energy: -6.986 Base-Backbone interact. energy: -0.000 local terms energy: -18.326826 where: bonds (distance) C4'-P energy: -3.637 bonds (distance) P-C4' energy: -5.128 flat angles C4'-P-C4' energy: -4.324 flat angles P-C4'-P energy: -3.107 tors. eta vs tors. theta energy: -2.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -24.317498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.317498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.317498 (E_RNA) where: Base-Base interactions energy: -8.313 where: short stacking energy: -8.313 Base-Backbone interact. energy: -0.001 local terms energy: -16.004344 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -3.345 flat angles C4'-P-C4' energy: -3.528 flat angles P-C4'-P energy: -3.285 tors. eta vs tors. theta energy: -1.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -21.836210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.836210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.836210 (E_RNA) where: Base-Base interactions energy: -6.528 where: short stacking energy: -6.528 Base-Backbone interact. energy: -0.792 local terms energy: -14.516166 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -3.811 flat angles C4'-P-C4' energy: -3.686 flat angles P-C4'-P energy: -3.594 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: 5, replica: 9 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -25.246215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.246215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.246215 (E_RNA) where: Base-Base interactions energy: -7.746 where: short stacking energy: -7.746 Base-Backbone interact. energy: -0.000 local terms energy: -17.500470 where: bonds (distance) C4'-P energy: -3.334 bonds (distance) P-C4' energy: -2.898 flat angles C4'-P-C4' energy: -4.279 flat angles P-C4'-P energy: -3.194 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: 6, replica: 2 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -21.883235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.883235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.883235 (E_RNA) where: Base-Base interactions energy: -6.383 where: short stacking energy: -6.648 Base-Backbone interact. energy: -0.334 local terms energy: -15.165450 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.251 flat angles P-C4'-P energy: -2.894 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: 7, replica: 7 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -22.855568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.855568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.855568 (E_RNA) where: Base-Base interactions energy: -7.557 where: short stacking energy: -7.557 Base-Backbone interact. energy: -0.004 local terms energy: -15.294829 where: bonds (distance) C4'-P energy: -3.070 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -2.286 flat angles P-C4'-P energy: -3.441 tors. eta vs tors. theta energy: -1.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -21.453310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.453310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.453310 (E_RNA) where: Base-Base interactions energy: -10.724 where: short stacking energy: -10.724 Base-Backbone interact. energy: -0.000 local terms energy: -10.729347 where: bonds (distance) C4'-P energy: -0.904 bonds (distance) P-C4' energy: -3.969 flat angles C4'-P-C4' energy: -3.563 flat angles P-C4'-P energy: -1.407 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: 9, replica: 4 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -22.541734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.541734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.541734 (E_RNA) where: Base-Base interactions energy: -4.910 where: short stacking energy: -4.910 Base-Backbone interact. energy: -0.000 local terms energy: -17.631518 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -4.180 flat angles C4'-P-C4' energy: -4.305 flat angles P-C4'-P energy: -3.547 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: 10, replica: 8 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -20.817861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.817861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.817861 (E_RNA) where: Base-Base interactions energy: -4.269 where: short stacking energy: -4.269 Base-Backbone interact. energy: -0.000 local terms energy: -16.548428 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.536 flat angles P-C4'-P energy: -2.356 tors. eta vs tors. theta energy: -0.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -24.291104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.291104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.291104 (E_RNA) where: Base-Base interactions energy: -6.304 where: short stacking energy: -6.304 Base-Backbone interact. energy: -0.089 local terms energy: -17.897765 where: bonds (distance) C4'-P energy: -3.861 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.611 flat angles P-C4'-P energy: -3.745 tors. eta vs tors. theta energy: -1.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -30.482703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.482703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.482703 (E_RNA) where: Base-Base interactions energy: -11.141 where: short stacking energy: -11.141 Base-Backbone interact. energy: -0.000 local terms energy: -19.341517 where: bonds (distance) C4'-P energy: -3.939 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -4.698 flat angles P-C4'-P energy: -2.159 tors. eta vs tors. theta energy: -3.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -28.513208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.513208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.513208 (E_RNA) where: Base-Base interactions energy: -10.052 where: short stacking energy: -10.052 Base-Backbone interact. energy: -0.000 local terms energy: -18.461110 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -3.482 flat angles P-C4'-P energy: -3.575 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: 4, replica: 10 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -23.707618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.707618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.707618 (E_RNA) where: Base-Base interactions energy: -6.999 where: short stacking energy: -6.999 Base-Backbone interact. energy: -0.000 local terms energy: -16.708915 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -4.106 flat angles C4'-P-C4' energy: -4.539 flat angles P-C4'-P energy: -3.177 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: 5, replica: 2 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -28.482874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.482874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.482874 (E_RNA) where: Base-Base interactions energy: -7.969 where: short stacking energy: -8.513 Base-Backbone interact. energy: -0.044 local terms energy: -20.470032 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.396 flat angles P-C4'-P energy: -3.854 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: 6, replica: 9 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -28.980781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.980781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.980781 (E_RNA) where: Base-Base interactions energy: -9.171 where: short stacking energy: -9.171 Base-Backbone interact. energy: -0.000 local terms energy: -19.809636 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.164 flat angles P-C4'-P energy: -2.605 tors. eta vs tors. theta energy: -3.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -21.856973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.856973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.856973 (E_RNA) where: Base-Base interactions energy: -4.637 where: short stacking energy: -4.637 Base-Backbone interact. energy: -0.001 local terms energy: -17.219673 where: bonds (distance) C4'-P energy: -3.977 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.943 flat angles P-C4'-P energy: -2.351 tors. eta vs tors. theta energy: -1.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -22.060242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.060242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.060242 (E_RNA) where: Base-Base interactions energy: -6.677 where: short stacking energy: -6.677 Base-Backbone interact. energy: -0.010 local terms energy: -15.372706 where: bonds (distance) C4'-P energy: -2.606 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.736 flat angles P-C4'-P energy: -2.555 tors. eta vs tors. theta energy: -0.120 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: 8 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -25.941682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.941682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.941682 (E_RNA) where: Base-Base interactions energy: -11.122 where: short stacking energy: -11.122 Base-Backbone interact. energy: -0.000 local terms energy: -14.819581 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -2.208 flat angles C4'-P-C4' energy: -3.620 flat angles P-C4'-P energy: -1.562 tors. eta vs tors. theta energy: -2.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -22.963717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.963717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.963717 (E_RNA) where: Base-Base interactions energy: -6.848 where: short stacking energy: -6.848 Base-Backbone interact. energy: -0.002 local terms energy: -16.113764 where: bonds (distance) C4'-P energy: -3.036 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.387 flat angles P-C4'-P energy: -2.592 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: 1, replica: 3 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -26.822080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.822080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.822080 (E_RNA) where: Base-Base interactions energy: -6.810 where: short stacking energy: -6.810 Base-Backbone interact. energy: -0.000 local terms energy: -20.012029 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.799 flat angles P-C4'-P energy: -3.153 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: 6 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -28.113186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.113186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.113186 (E_RNA) where: Base-Base interactions energy: -7.519 where: short stacking energy: -7.519 Base-Backbone interact. energy: -0.000 local terms energy: -20.594329 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.934 flat angles P-C4'-P energy: -3.395 tors. eta vs tors. theta energy: -4.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -28.280484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.280484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.280484 (E_RNA) where: Base-Base interactions energy: -9.332 where: short stacking energy: -9.332 Base-Backbone interact. energy: -0.000 local terms energy: -18.948911 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.631 flat angles C4'-P-C4' energy: -4.362 flat angles P-C4'-P energy: -2.802 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: 4, replica: 2 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -25.104527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.104527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.104527 (E_RNA) where: Base-Base interactions energy: -8.722 where: short stacking energy: -8.722 Base-Backbone interact. energy: -0.000 local terms energy: -16.382195 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.106 flat angles C4'-P-C4' energy: -3.809 flat angles P-C4'-P energy: -2.457 tors. eta vs tors. theta energy: -2.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -29.104726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.104726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.104726 (E_RNA) where: Base-Base interactions energy: -10.361 where: short stacking energy: -10.361 Base-Backbone interact. energy: -0.002 local terms energy: -18.741565 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.413 flat angles C4'-P-C4' energy: -4.255 flat angles P-C4'-P energy: -2.783 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: 6, replica: 1 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -26.913567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.913567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.913567 (E_RNA) where: Base-Base interactions energy: -11.103 where: short stacking energy: -11.103 Base-Backbone interact. energy: -0.001 local terms energy: -15.809331 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.403 flat angles P-C4'-P energy: 0.176 tors. eta vs tors. theta energy: -2.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -21.178138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.178138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.178138 (E_RNA) where: Base-Base interactions energy: -4.374 where: short stacking energy: -4.374 Base-Backbone interact. energy: -0.010 local terms energy: -16.794446 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.467 flat angles P-C4'-P energy: -2.655 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: 7 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -25.375432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.375432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.375432 (E_RNA) where: Base-Base interactions energy: -7.069 where: short stacking energy: -7.069 Base-Backbone interact. energy: -0.000 local terms energy: -18.306441 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.573 flat angles P-C4'-P energy: -2.937 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: 9, replica: 8 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -19.209876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.209876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.209876 (E_RNA) where: Base-Base interactions energy: -7.226 where: short stacking energy: -7.226 Base-Backbone interact. energy: -0.000 local terms energy: -11.983564 where: bonds (distance) C4'-P energy: -1.588 bonds (distance) P-C4' energy: -4.336 flat angles C4'-P-C4' energy: -3.139 flat angles P-C4'-P energy: -3.097 tors. eta vs tors. theta energy: 0.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -20.258560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.258560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.258560 (E_RNA) where: Base-Base interactions energy: -5.600 where: short stacking energy: -5.600 Base-Backbone interact. energy: -0.005 local terms energy: -14.652738 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -2.520 flat angles P-C4'-P energy: -2.578 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: 3 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -30.347123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.347123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.347123 (E_RNA) where: Base-Base interactions energy: -11.311 where: short stacking energy: -11.545 Base-Backbone interact. energy: -0.003 local terms energy: -19.032962 where: bonds (distance) C4'-P energy: -3.708 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.206 flat angles P-C4'-P energy: -3.184 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: 2, replica: 6 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -25.576341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.576341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.576341 (E_RNA) where: Base-Base interactions energy: -10.475 where: short stacking energy: -10.475 Base-Backbone interact. energy: -0.004 local terms energy: -15.097770 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: 0.224 flat angles P-C4'-P energy: -2.705 tors. eta vs tors. theta energy: -3.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -23.061446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.061446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.061446 (E_RNA) where: Base-Base interactions energy: -6.979 where: short stacking energy: -6.979 Base-Backbone interact. energy: -0.078 local terms energy: -16.004628 where: bonds (distance) C4'-P energy: -2.626 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.421 flat angles P-C4'-P energy: -3.106 tors. eta vs tors. theta energy: -1.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -31.241096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.241096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.241096 (E_RNA) where: Base-Base interactions energy: -12.180 where: short stacking energy: -12.180 Base-Backbone interact. energy: -0.000 local terms energy: -19.060599 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -2.870 flat angles C4'-P-C4' energy: -4.276 flat angles P-C4'-P energy: -2.860 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: 1 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -24.493199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.493199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.493199 (E_RNA) where: Base-Base interactions energy: -7.020 where: short stacking energy: -7.020 Base-Backbone interact. energy: -0.000 local terms energy: -17.473149 where: bonds (distance) C4'-P energy: -3.861 bonds (distance) P-C4' energy: -4.339 flat angles C4'-P-C4' energy: -4.245 flat angles P-C4'-P energy: -3.908 tors. eta vs tors. theta energy: -1.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -24.529603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.529603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.529603 (E_RNA) where: Base-Base interactions energy: -6.982 where: short stacking energy: -6.982 Base-Backbone interact. energy: -0.000 local terms energy: -17.547325 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.289 flat angles P-C4'-P energy: -2.292 tors. eta vs tors. theta energy: -1.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -23.669059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.669059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.669059 (E_RNA) where: Base-Base interactions energy: -7.872 where: short stacking energy: -7.872 Base-Backbone interact. energy: -0.000 local terms energy: -15.796563 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -4.218 flat angles P-C4'-P energy: -1.497 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: 8, replica: 9 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -20.961444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.961444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.961444 (E_RNA) where: Base-Base interactions energy: -4.368 where: short stacking energy: -4.368 Base-Backbone interact. energy: -0.000 local terms energy: -16.592987 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -1.656 flat angles P-C4'-P energy: -2.342 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: 9, replica: 4 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -21.059667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.059667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.059667 (E_RNA) where: Base-Base interactions energy: -4.472 where: short stacking energy: -4.472 Base-Backbone interact. energy: -0.000 local terms energy: -16.587862 where: bonds (distance) C4'-P energy: -1.551 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.888 flat angles P-C4'-P energy: -2.960 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: 8 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -21.555699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.555699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.555699 (E_RNA) where: Base-Base interactions energy: -5.575 where: short stacking energy: -5.575 Base-Backbone interact. energy: -0.000 local terms energy: -15.981076 where: bonds (distance) C4'-P energy: -3.008 bonds (distance) P-C4' energy: -4.318 flat angles C4'-P-C4' energy: -3.583 flat angles P-C4'-P energy: -3.419 tors. eta vs tors. theta energy: -1.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -28.208061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.208061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.208061 (E_RNA) where: Base-Base interactions energy: -10.309 where: short stacking energy: -10.309 Base-Backbone interact. energy: -0.001 local terms energy: -17.897803 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -3.100 flat angles C4'-P-C4' energy: -4.246 flat angles P-C4'-P energy: -3.891 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: 2, replica: 2 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -24.194745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.194745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.194745 (E_RNA) where: Base-Base interactions energy: -6.129 where: short stacking energy: -6.129 Base-Backbone interact. energy: -0.000 local terms energy: -18.065656 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.727 flat angles P-C4'-P energy: -2.406 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: 3, replica: 6 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -25.711113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.711113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.711113 (E_RNA) where: Base-Base interactions energy: -11.612 where: short stacking energy: -11.612 Base-Backbone interact. energy: -0.001 local terms energy: -14.098407 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -2.486 flat angles C4'-P-C4' energy: -3.984 flat angles P-C4'-P energy: -2.046 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: 4, replica: 1 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -23.984632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.984632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.984632 (E_RNA) where: Base-Base interactions energy: -7.533 where: short stacking energy: -7.533 Base-Backbone interact. energy: -0.007 local terms energy: -16.444563 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.101 flat angles P-C4'-P energy: -3.643 tors. eta vs tors. theta energy: 0.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -24.695403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.695403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.695403 (E_RNA) where: Base-Base interactions energy: -9.034 where: short stacking energy: -9.034 Base-Backbone interact. energy: -0.030 local terms energy: -15.631476 where: bonds (distance) C4'-P energy: -2.395 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -4.403 flat angles P-C4'-P energy: -2.815 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: 207 Temperature: 1.150000 Total energy: -23.937706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.937706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.937706 (E_RNA) where: Base-Base interactions energy: -7.842 where: short stacking energy: -7.842 Base-Backbone interact. energy: -0.020 local terms energy: -16.075888 where: bonds (distance) C4'-P energy: -3.389 bonds (distance) P-C4' energy: -3.181 flat angles C4'-P-C4' energy: -4.290 flat angles P-C4'-P energy: -3.522 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: 10 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -26.798102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.798102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.798102 (E_RNA) where: Base-Base interactions energy: -8.930 where: short stacking energy: -8.930 Base-Backbone interact. energy: -0.000 local terms energy: -17.867885 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.045 flat angles P-C4'-P energy: -1.708 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: 4 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -20.434041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.434041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.434041 (E_RNA) where: Base-Base interactions energy: -5.007 where: short stacking energy: -5.007 Base-Backbone interact. energy: -0.005 local terms energy: -15.422437 where: bonds (distance) C4'-P energy: -2.920 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.483 flat angles P-C4'-P energy: -2.228 tors. eta vs tors. theta energy: -0.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -20.438981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.438981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.438981 (E_RNA) where: Base-Base interactions energy: -4.739 where: short stacking energy: -4.739 Base-Backbone interact. energy: -0.000 local terms energy: -15.699514 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -2.633 flat angles P-C4'-P energy: -2.661 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: 10, replica: 8 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -21.017036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.017036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.017036 (E_RNA) where: Base-Base interactions energy: -7.166 where: short stacking energy: -7.166 Base-Backbone interact. energy: -0.024 local terms energy: -13.826699 where: bonds (distance) C4'-P energy: -3.032 bonds (distance) P-C4' energy: -2.584 flat angles C4'-P-C4' energy: -2.531 flat angles P-C4'-P energy: -3.976 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: 208 Temperature: 0.900000 Total energy: -26.374698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.374698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.374698 (E_RNA) where: Base-Base interactions energy: -8.157 where: short stacking energy: -8.157 Base-Backbone interact. energy: -0.000 local terms energy: -18.217849 where: bonds (distance) C4'-P energy: -3.637 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.040 flat angles P-C4'-P energy: -3.843 tors. eta vs tors. theta energy: -3.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -27.053475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.053475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.053475 (E_RNA) where: Base-Base interactions energy: -7.417 where: short stacking energy: -7.417 Base-Backbone interact. energy: -0.073 local terms energy: -19.562685 where: bonds (distance) C4'-P energy: -3.277 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.485 flat angles P-C4'-P energy: -3.384 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: 3, replica: 1 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -26.405170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.405170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.405170 (E_RNA) where: Base-Base interactions energy: -7.868 where: short stacking energy: -7.868 Base-Backbone interact. energy: -0.000 local terms energy: -18.536678 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.006 flat angles P-C4'-P energy: -3.129 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: 4, replica: 6 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -28.386777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.386777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.386777 (E_RNA) where: Base-Base interactions energy: -9.611 where: short stacking energy: -9.611 Base-Backbone interact. energy: -0.000 local terms energy: -18.776249 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -4.257 flat angles P-C4'-P energy: -2.689 tors. eta vs tors. theta energy: -3.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -24.878664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.878664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.878664 (E_RNA) where: Base-Base interactions energy: -6.703 where: short stacking energy: -6.703 Base-Backbone interact. energy: -0.000 local terms energy: -18.175297 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -2.936 flat angles P-C4'-P energy: -3.042 tors. eta vs tors. theta energy: -3.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -22.446747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.446747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.446747 (E_RNA) where: Base-Base interactions energy: -7.999 where: short stacking energy: -7.999 Base-Backbone interact. energy: -0.000 local terms energy: -14.447041 where: bonds (distance) C4'-P energy: -3.306 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.448 flat angles P-C4'-P energy: -1.245 tors. eta vs tors. theta energy: -2.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -24.852543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.852543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.852543 (E_RNA) where: Base-Base interactions energy: -6.198 where: short stacking energy: -6.198 Base-Backbone interact. energy: -0.000 local terms energy: -18.654241 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.383 flat angles P-C4'-P energy: -2.806 tors. eta vs tors. theta energy: -1.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -22.556177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.556177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.556177 (E_RNA) where: Base-Base interactions energy: -6.678 where: short stacking energy: -6.678 Base-Backbone interact. energy: -0.001 local terms energy: -15.877663 where: bonds (distance) C4'-P energy: -3.645 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.060 flat angles P-C4'-P energy: 0.071 tors. eta vs tors. theta energy: -3.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -21.297008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.297008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.297008 (E_RNA) where: Base-Base interactions energy: -3.367 where: short stacking energy: -3.367 Base-Backbone interact. energy: -0.001 local terms energy: -17.928868 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.925 flat angles P-C4'-P energy: -2.922 tors. eta vs tors. theta energy: -2.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -22.143415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.143415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.143415 (E_RNA) where: Base-Base interactions energy: -5.574 where: short stacking energy: -5.574 Base-Backbone interact. energy: -0.000 local terms energy: -16.569425 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -3.639 flat angles P-C4'-P energy: -1.671 tors. eta vs tors. theta energy: -2.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -26.814625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.814625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.814625 (E_RNA) where: Base-Base interactions energy: -11.625 where: short stacking energy: -11.625 Base-Backbone interact. energy: -0.065 local terms energy: -15.124758 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.572 flat angles C4'-P-C4' energy: -2.510 flat angles P-C4'-P energy: -3.107 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: 2, replica: 1 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -24.562673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.562673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.562673 (E_RNA) where: Base-Base interactions energy: -7.651 where: short stacking energy: -7.651 Base-Backbone interact. energy: -0.008 local terms energy: -16.903356 where: bonds (distance) C4'-P energy: -3.301 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -2.911 flat angles P-C4'-P energy: -3.024 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: 3, replica: 3 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -26.126672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.126672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.126672 (E_RNA) where: Base-Base interactions energy: -8.841 where: short stacking energy: -8.841 Base-Backbone interact. energy: -0.000 local terms energy: -17.285346 where: bonds (distance) C4'-P energy: -1.835 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.455 flat angles P-C4'-P energy: -2.771 tors. eta vs tors. theta energy: -3.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -29.023295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.023295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.023295 (E_RNA) where: Base-Base interactions energy: -8.661 where: short stacking energy: -8.661 Base-Backbone interact. energy: -0.000 local terms energy: -20.362550 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.358 flat angles P-C4'-P energy: -2.404 tors. eta vs tors. theta energy: -3.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -23.786139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.786139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.786139 (E_RNA) where: Base-Base interactions energy: -8.220 where: short stacking energy: -8.220 Base-Backbone interact. energy: -0.044 local terms energy: -15.522153 where: bonds (distance) C4'-P energy: -3.008 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.446 flat angles P-C4'-P energy: -2.807 tors. eta vs tors. theta energy: -1.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -24.529172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.529172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.529172 (E_RNA) where: Base-Base interactions energy: -10.250 where: short stacking energy: -10.250 Base-Backbone interact. energy: -0.000 local terms energy: -14.278673 where: bonds (distance) C4'-P energy: -2.415 bonds (distance) P-C4' energy: -4.149 flat angles C4'-P-C4' energy: -3.993 flat angles P-C4'-P energy: -2.071 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: 7, replica: 5 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -21.808883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.808883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.808883 (E_RNA) where: Base-Base interactions energy: -8.140 where: short stacking energy: -8.140 Base-Backbone interact. energy: -0.009 local terms energy: -13.660643 where: bonds (distance) C4'-P energy: -1.935 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.976 flat angles P-C4'-P energy: 0.283 tors. eta vs tors. theta energy: -2.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -21.561893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.561893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.561893 (E_RNA) where: Base-Base interactions energy: -4.406 where: short stacking energy: -4.406 Base-Backbone interact. energy: -0.000 local terms energy: -17.155667 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.133 flat angles P-C4'-P energy: -3.305 tors. eta vs tors. theta energy: -0.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -18.812142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.812142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.812142 (E_RNA) where: Base-Base interactions energy: -3.967 where: short stacking energy: -3.967 Base-Backbone interact. energy: -0.000 local terms energy: -14.845134 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -2.064 flat angles C4'-P-C4' energy: -3.667 flat angles P-C4'-P energy: -3.425 tors. eta vs tors. theta energy: -2.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -22.677730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.677730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.677730 (E_RNA) where: Base-Base interactions energy: -6.991 where: short stacking energy: -6.991 Base-Backbone interact. energy: -0.081 local terms energy: -15.606056 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.604 flat angles P-C4'-P energy: -3.117 tors. eta vs tors. theta energy: 0.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -26.014213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.014213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.014213 (E_RNA) where: Base-Base interactions energy: -8.462 where: short stacking energy: -8.462 Base-Backbone interact. energy: -0.057 local terms energy: -17.494833 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.495 flat angles P-C4'-P energy: -3.016 tors. eta vs tors. theta energy: -0.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -27.289545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.289545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.289545 (E_RNA) where: Base-Base interactions energy: -9.639 where: short stacking energy: -9.639 Base-Backbone interact. energy: -0.000 local terms energy: -17.651006 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.131 flat angles P-C4'-P energy: -2.419 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: 3, replica: 7 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -26.937268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.937268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.937268 (E_RNA) where: Base-Base interactions energy: -10.887 where: short stacking energy: -10.887 Base-Backbone interact. energy: -0.000 local terms energy: -16.050220 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -3.787 flat angles P-C4'-P energy: -0.166 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: 4, replica: 3 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -23.717682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.717682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.717682 (E_RNA) where: Base-Base interactions energy: -6.060 where: short stacking energy: -6.060 Base-Backbone interact. energy: -0.001 local terms energy: -17.656486 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.790 flat angles C4'-P-C4' energy: -4.261 flat angles P-C4'-P energy: -4.184 tors. eta vs tors. theta energy: -1.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -26.075177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.075177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.075177 (E_RNA) where: Base-Base interactions energy: -7.331 where: short stacking energy: -7.331 Base-Backbone interact. energy: -0.001 local terms energy: -18.743306 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.364 flat angles P-C4'-P energy: -3.995 tors. eta vs tors. theta energy: -1.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -23.801258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.801258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.801258 (E_RNA) where: Base-Base interactions energy: -7.189 where: short stacking energy: -7.189 Base-Backbone interact. energy: -0.176 local terms energy: -16.436157 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.553 flat angles P-C4'-P energy: -3.757 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: 7, replica: 8 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -21.444723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.444723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.444723 (E_RNA) where: Base-Base interactions energy: -4.463 where: short stacking energy: -4.463 Base-Backbone interact. energy: -0.001 local terms energy: -16.981379 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -4.252 flat angles P-C4'-P energy: -3.644 tors. eta vs tors. theta energy: -0.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -24.775973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.775973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.775973 (E_RNA) where: Base-Base interactions energy: -6.644 where: short stacking energy: -6.644 Base-Backbone interact. energy: -0.016 local terms energy: -18.115372 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.467 flat angles P-C4'-P energy: -3.901 tors. eta vs tors. theta energy: -0.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -23.013595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.013595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.013595 (E_RNA) where: Base-Base interactions energy: -7.187 where: short stacking energy: -7.187 Base-Backbone interact. energy: -0.000 local terms energy: -15.826105 where: bonds (distance) C4'-P energy: -3.036 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.458 flat angles P-C4'-P energy: -2.073 tors. eta vs tors. theta energy: -1.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -22.153403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.153403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.153403 (E_RNA) where: Base-Base interactions energy: -7.574 where: short stacking energy: -7.574 Base-Backbone interact. energy: -0.002 local terms energy: -14.577608 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -2.001 flat angles P-C4'-P energy: -2.589 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: 1, replica: 1 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -28.138559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.138559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.138559 (E_RNA) where: Base-Base interactions energy: -11.337 where: short stacking energy: -11.337 Base-Backbone interact. energy: -0.000 local terms energy: -16.801227 where: bonds (distance) C4'-P energy: -3.008 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.510 flat angles P-C4'-P energy: -1.425 tors. eta vs tors. theta energy: -2.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -23.130921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.130921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.130921 (E_RNA) where: Base-Base interactions energy: -9.018 where: short stacking energy: -9.018 Base-Backbone interact. energy: -0.061 local terms energy: -14.052597 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.395 flat angles C4'-P-C4' energy: -3.586 flat angles P-C4'-P energy: -2.649 tors. eta vs tors. theta energy: 0.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -29.350499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.350499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.350499 (E_RNA) where: Base-Base interactions energy: -11.423 where: short stacking energy: -11.423 Base-Backbone interact. energy: -0.000 local terms energy: -17.927308 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -3.490 flat angles C4'-P-C4' energy: -4.169 flat angles P-C4'-P energy: -2.642 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: 4, replica: 3 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -25.514566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.514566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.514566 (E_RNA) where: Base-Base interactions energy: -10.950 where: short stacking energy: -10.950 Base-Backbone interact. energy: -0.002 local terms energy: -14.563061 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -4.311 flat angles C4'-P-C4' energy: -1.089 flat angles P-C4'-P energy: -3.682 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: 5, replica: 4 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -23.601775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.601775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.601775 (E_RNA) where: Base-Base interactions energy: -6.051 where: short stacking energy: -6.051 Base-Backbone interact. energy: -0.000 local terms energy: -17.550640 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -4.413 flat angles C4'-P-C4' energy: -3.815 flat angles P-C4'-P energy: -2.963 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: 6, replica: 8 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -24.360705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.360705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.360705 (E_RNA) where: Base-Base interactions energy: -7.734 where: short stacking energy: -7.734 Base-Backbone interact. energy: -0.000 local terms energy: -16.626822 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.227 flat angles P-C4'-P energy: -1.971 tors. eta vs tors. theta energy: -2.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -23.589772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.589772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.589772 (E_RNA) where: Base-Base interactions energy: -9.293 where: short stacking energy: -9.293 Base-Backbone interact. energy: -0.000 local terms energy: -14.297171 where: bonds (distance) C4'-P energy: -1.985 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.781 flat angles P-C4'-P energy: -2.778 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: 9 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -22.926957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.926957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.926957 (E_RNA) where: Base-Base interactions energy: -3.799 where: short stacking energy: -3.799 Base-Backbone interact. energy: -0.930 local terms energy: -18.198105 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.523 flat angles P-C4'-P energy: -4.006 tors. eta vs tors. theta energy: -1.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -21.535406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.535406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.535406 (E_RNA) where: Base-Base interactions energy: -4.952 where: short stacking energy: -4.952 Base-Backbone interact. energy: -0.097 local terms energy: -16.486490 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.606 flat angles C4'-P-C4' energy: -4.414 flat angles P-C4'-P energy: -2.317 tors. eta vs tors. theta energy: -0.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -20.531068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.531068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.531068 (E_RNA) where: Base-Base interactions energy: -5.935 where: short stacking energy: -5.935 Base-Backbone interact. energy: -0.001 local terms energy: -14.595517 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.790 flat angles C4'-P-C4' energy: -4.169 flat angles P-C4'-P energy: -1.874 tors. eta vs tors. theta energy: -0.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -31.831756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.831756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.831756 (E_RNA) where: Base-Base interactions energy: -11.532 where: short stacking energy: -11.532 Base-Backbone interact. energy: -0.008 local terms energy: -20.291455 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.415 flat angles P-C4'-P energy: -3.481 tors. eta vs tors. theta energy: -3.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -26.819987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.819987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.819987 (E_RNA) where: Base-Base interactions energy: -8.085 where: short stacking energy: -8.085 Base-Backbone interact. energy: -0.402 local terms energy: -18.332229 where: bonds (distance) C4'-P energy: -2.928 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.890 flat angles P-C4'-P energy: -3.130 tors. eta vs tors. theta energy: -2.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -27.211201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.211201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.211201 (E_RNA) where: Base-Base interactions energy: -8.749 where: short stacking energy: -8.749 Base-Backbone interact. energy: -0.000 local terms energy: -18.461799 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -2.011 flat angles P-C4'-P energy: -3.374 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: 4, replica: 2 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -29.719378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.719378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.719378 (E_RNA) where: Base-Base interactions energy: -10.506 where: short stacking energy: -10.506 Base-Backbone interact. energy: -0.000 local terms energy: -19.213048 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -4.575 flat angles C4'-P-C4' energy: -4.411 flat angles P-C4'-P energy: -1.788 tors. eta vs tors. theta energy: -4.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -24.001715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.001715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.001715 (E_RNA) where: Base-Base interactions energy: -7.213 where: short stacking energy: -7.213 Base-Backbone interact. energy: -0.000 local terms energy: -16.789062 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.190 flat angles P-C4'-P energy: -1.402 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: 6, replica: 4 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -23.051243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.051243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.051243 (E_RNA) where: Base-Base interactions energy: -7.290 where: short stacking energy: -7.290 Base-Backbone interact. energy: -0.002 local terms energy: -15.759115 where: bonds (distance) C4'-P energy: -3.645 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -1.256 flat angles P-C4'-P energy: -3.605 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: 9 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -22.242429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.242429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.242429 (E_RNA) where: Base-Base interactions energy: -3.928 where: short stacking energy: -3.928 Base-Backbone interact. energy: -0.001 local terms energy: -18.313742 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.908 flat angles P-C4'-P energy: -2.088 tors. eta vs tors. theta energy: -3.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -23.645293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.645293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.645293 (E_RNA) where: Base-Base interactions energy: -5.124 where: short stacking energy: -5.124 Base-Backbone interact. energy: -0.000 local terms energy: -18.521001 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -4.693 flat angles P-C4'-P energy: -2.890 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: 9, replica: 10 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -20.684964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.684964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.684964 (E_RNA) where: Base-Base interactions energy: -6.561 where: short stacking energy: -6.561 Base-Backbone interact. energy: -0.000 local terms energy: -14.123329 where: bonds (distance) C4'-P energy: -2.954 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -2.555 flat angles P-C4'-P energy: -3.843 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: 10, replica: 5 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -20.219157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.219157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.219157 (E_RNA) where: Base-Base interactions energy: -7.479 where: short stacking energy: -7.479 Base-Backbone interact. energy: -0.000 local terms energy: -12.739871 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -1.501 flat angles C4'-P-C4' energy: -4.510 flat angles P-C4'-P energy: -0.138 tors. eta vs tors. theta energy: -2.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -25.904091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.904091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.904091 (E_RNA) where: Base-Base interactions energy: -8.554 where: short stacking energy: -8.554 Base-Backbone interact. energy: -0.001 local terms energy: -17.348331 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.503 flat angles P-C4'-P energy: -3.441 tors. eta vs tors. theta energy: -0.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -29.016910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.016910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.016910 (E_RNA) where: Base-Base interactions energy: -12.315 where: short stacking energy: -12.315 Base-Backbone interact. energy: -0.016 local terms energy: -16.685544 where: bonds (distance) C4'-P energy: -2.978 bonds (distance) P-C4' energy: -3.557 flat angles C4'-P-C4' energy: -4.632 flat angles P-C4'-P energy: -3.525 tors. eta vs tors. theta energy: -1.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -26.017052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.017052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.017052 (E_RNA) where: Base-Base interactions energy: -8.271 where: short stacking energy: -8.271 Base-Backbone interact. energy: -0.000 local terms energy: -17.745845 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -3.347 flat angles P-C4'-P energy: -2.604 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: 4, replica: 8 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -24.928564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.928564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.928564 (E_RNA) where: Base-Base interactions energy: -6.192 where: short stacking energy: -6.192 Base-Backbone interact. energy: -0.000 local terms energy: -18.736153 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.391 flat angles P-C4'-P energy: -3.415 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: 5, replica: 2 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -23.983903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.983903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.983903 (E_RNA) where: Base-Base interactions energy: -8.239 where: short stacking energy: -8.239 Base-Backbone interact. energy: -0.051 local terms energy: -15.693714 where: bonds (distance) C4'-P energy: -4.039 bonds (distance) P-C4' energy: -3.984 flat angles C4'-P-C4' energy: -3.660 flat angles P-C4'-P energy: -1.386 tors. eta vs tors. theta energy: -2.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -21.949561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.949561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.949561 (E_RNA) where: Base-Base interactions energy: -7.212 where: short stacking energy: -7.212 Base-Backbone interact. energy: -0.041 local terms energy: -14.695904 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -0.958 flat angles P-C4'-P energy: -2.737 tors. eta vs tors. theta energy: -1.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -24.058312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.058312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.058312 (E_RNA) where: Base-Base interactions energy: -7.850 where: short stacking energy: -7.850 Base-Backbone interact. energy: -0.000 local terms energy: -16.208486 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.152 flat angles C4'-P-C4' energy: -3.149 flat angles P-C4'-P energy: -1.882 tors. eta vs tors. theta energy: -2.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -19.889254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.889254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.889254 (E_RNA) where: Base-Base interactions energy: -2.588 where: short stacking energy: -2.588 Base-Backbone interact. energy: -0.000 local terms energy: -17.301175 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.452 flat angles P-C4'-P energy: -2.059 tors. eta vs tors. theta energy: -1.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -20.835489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.835489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.835489 (E_RNA) where: Base-Base interactions energy: -3.906 where: short stacking energy: -4.406 Base-Backbone interact. energy: -1.054 local terms energy: -15.875020 where: bonds (distance) C4'-P energy: -3.273 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -2.741 flat angles P-C4'-P energy: -2.740 tors. eta vs tors. theta energy: -1.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -21.610305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.610305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.610305 (E_RNA) where: Base-Base interactions energy: -7.165 where: short stacking energy: -7.165 Base-Backbone interact. energy: -0.000 local terms energy: -14.444932 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.839 flat angles C4'-P-C4' energy: -4.313 flat angles P-C4'-P energy: -0.970 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: 1, replica: 1 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -27.769866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.769866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.769866 (E_RNA) where: Base-Base interactions energy: -7.392 where: short stacking energy: -7.392 Base-Backbone interact. energy: -0.000 local terms energy: -20.377447 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.600 flat angles P-C4'-P energy: -3.721 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: 2, replica: 7 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -29.751806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.751806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.751806 (E_RNA) where: Base-Base interactions energy: -12.135 where: short stacking energy: -12.135 Base-Backbone interact. energy: -0.000 local terms energy: -17.616543 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -2.092 flat angles P-C4'-P energy: -3.100 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: 214 Temperature: 1.000000 Total energy: -25.762766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.762766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.762766 (E_RNA) where: Base-Base interactions energy: -7.494 where: short stacking energy: -7.494 Base-Backbone interact. energy: -0.000 local terms energy: -18.268875 where: bonds (distance) C4'-P energy: -2.201 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.746 flat angles P-C4'-P energy: -3.009 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: 4, replica: 3 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -23.912711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.912711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.912711 (E_RNA) where: Base-Base interactions energy: -8.043 where: short stacking energy: -8.043 Base-Backbone interact. energy: -0.000 local terms energy: -15.869513 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.085 flat angles C4'-P-C4' energy: -1.976 flat angles P-C4'-P energy: -2.108 tors. eta vs tors. theta energy: -3.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -25.766520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.766520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.766520 (E_RNA) where: Base-Base interactions energy: -7.382 where: short stacking energy: -7.382 Base-Backbone interact. energy: -0.066 local terms energy: -18.318031 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.241 flat angles P-C4'-P energy: -3.691 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: 6, replica: 9 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -23.072525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.072525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.072525 (E_RNA) where: Base-Base interactions energy: -6.399 where: short stacking energy: -6.399 Base-Backbone interact. energy: -0.001 local terms energy: -16.671824 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -4.426 flat angles P-C4'-P energy: -3.957 tors. eta vs tors. theta energy: 0.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -23.852299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.852299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.852299 (E_RNA) where: Base-Base interactions energy: -9.304 where: short stacking energy: -9.404 Base-Backbone interact. energy: -0.204 local terms energy: -14.344498 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -2.895 flat angles C4'-P-C4' energy: -3.043 flat angles P-C4'-P energy: -2.717 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: 8, replica: 4 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -25.906784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.906784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.906784 (E_RNA) where: Base-Base interactions energy: -7.425 where: short stacking energy: -7.425 Base-Backbone interact. energy: -0.000 local terms energy: -18.481862 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.082 flat angles C4'-P-C4' energy: -4.021 flat angles P-C4'-P energy: -2.776 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: 9, replica: 5 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -22.966221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.966221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.966221 (E_RNA) where: Base-Base interactions energy: -7.858 where: short stacking energy: -7.858 Base-Backbone interact. energy: -0.000 local terms energy: -15.108165 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -1.741 flat angles P-C4'-P energy: -1.882 tors. eta vs tors. theta energy: -1.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -22.335261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.335261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.335261 (E_RNA) where: Base-Base interactions energy: -6.852 where: short stacking energy: -6.852 Base-Backbone interact. energy: -0.022 local terms energy: -15.461013 where: bonds (distance) C4'-P energy: -3.645 bonds (distance) P-C4' energy: -4.572 flat angles C4'-P-C4' energy: -4.085 flat angles P-C4'-P energy: -3.241 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: 1 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -29.831550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.831550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.831550 (E_RNA) where: Base-Base interactions energy: -8.145 where: short stacking energy: -8.145 Base-Backbone interact. energy: -0.000 local terms energy: -21.687011 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.839 flat angles C4'-P-C4' energy: -4.438 flat angles P-C4'-P energy: -3.441 tors. eta vs tors. theta energy: -4.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -28.612664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.612664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.612664 (E_RNA) where: Base-Base interactions energy: -8.970 where: short stacking energy: -8.970 Base-Backbone interact. energy: -0.000 local terms energy: -19.642583 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -4.383 flat angles P-C4'-P energy: -2.589 tors. eta vs tors. theta energy: -3.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -24.623608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.623608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.623608 (E_RNA) where: Base-Base interactions energy: -7.354 where: short stacking energy: -7.354 Base-Backbone interact. energy: -0.042 local terms energy: -17.227279 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.061 flat angles P-C4'-P energy: -2.494 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: 4, replica: 2 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -26.225290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.225290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.225290 (E_RNA) where: Base-Base interactions energy: -11.091 where: short stacking energy: -11.091 Base-Backbone interact. energy: -0.000 local terms energy: -15.134775 where: bonds (distance) C4'-P energy: -3.326 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -3.126 flat angles P-C4'-P energy: -2.697 tors. eta vs tors. theta energy: -1.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -22.863463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.863463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.863463 (E_RNA) where: Base-Base interactions energy: -7.804 where: short stacking energy: -7.804 Base-Backbone interact. energy: -0.002 local terms energy: -15.056620 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -4.631 flat angles C4'-P-C4' energy: -1.843 flat angles P-C4'-P energy: -2.817 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: 6, replica: 10 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -23.720017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.720017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.720017 (E_RNA) where: Base-Base interactions energy: -8.568 where: short stacking energy: -8.568 Base-Backbone interact. energy: -0.000 local terms energy: -15.152431 where: bonds (distance) C4'-P energy: -2.812 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.154 flat angles P-C4'-P energy: -0.896 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: 7, replica: 9 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -23.401196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.401196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.401196 (E_RNA) where: Base-Base interactions energy: -8.350 where: short stacking energy: -8.350 Base-Backbone interact. energy: -0.000 local terms energy: -15.051197 where: bonds (distance) C4'-P energy: -3.194 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.369 flat angles P-C4'-P energy: -0.450 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: 8, replica: 5 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -20.983242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.983242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.983242 (E_RNA) where: Base-Base interactions energy: -7.416 where: short stacking energy: -7.699 Base-Backbone interact. energy: -0.087 local terms energy: -13.479665 where: bonds (distance) C4'-P energy: -2.904 bonds (distance) P-C4' energy: -4.420 flat angles C4'-P-C4' energy: -4.294 flat angles P-C4'-P energy: -2.493 tors. eta vs tors. theta energy: 0.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -20.980364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.980364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.980364 (E_RNA) where: Base-Base interactions energy: -6.496 where: short stacking energy: -6.496 Base-Backbone interact. energy: -0.000 local terms energy: -14.484661 where: bonds (distance) C4'-P energy: -1.224 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.885 flat angles P-C4'-P energy: -3.412 tors. eta vs tors. theta energy: -1.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -20.415163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.415163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.415163 (E_RNA) where: Base-Base interactions energy: -6.785 where: short stacking energy: -6.785 Base-Backbone interact. energy: -0.174 local terms energy: -13.456000 where: bonds (distance) C4'-P energy: -2.975 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.854 flat angles P-C4'-P energy: 0.471 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: 1, replica: 8 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -24.294202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.294202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.294202 (E_RNA) where: Base-Base interactions energy: -8.004 where: short stacking energy: -8.004 Base-Backbone interact. energy: -0.000 local terms energy: -16.290270 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.396 flat angles P-C4'-P energy: -2.645 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: 2, replica: 1 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -28.535127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.535127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.535127 (E_RNA) where: Base-Base interactions energy: -8.430 where: short stacking energy: -8.430 Base-Backbone interact. energy: -0.000 local terms energy: -20.105054 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.184 flat angles C4'-P-C4' energy: -4.628 flat angles P-C4'-P energy: -2.441 tors. eta vs tors. theta energy: -4.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -26.652219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.652219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.652219 (E_RNA) where: Base-Base interactions energy: -7.378 where: short stacking energy: -7.378 Base-Backbone interact. energy: -0.000 local terms energy: -19.273932 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.702 flat angles P-C4'-P energy: -1.226 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: 216 Temperature: 1.050000 Total energy: -24.906189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.906189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.906189 (E_RNA) where: Base-Base interactions energy: -7.555 where: short stacking energy: -7.555 Base-Backbone interact. energy: -0.066 local terms energy: -17.284788 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.013 flat angles P-C4'-P energy: -3.732 tors. eta vs tors. theta energy: -0.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -23.699531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.699531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.699531 (E_RNA) where: Base-Base interactions energy: -7.850 where: short stacking energy: -7.850 Base-Backbone interact. energy: -0.042 local terms energy: -15.807786 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -2.983 flat angles P-C4'-P energy: -2.993 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: 6, replica: 3 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -23.386840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.386840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.386840 (E_RNA) where: Base-Base interactions energy: -7.022 where: short stacking energy: -7.022 Base-Backbone interact. energy: -0.000 local terms energy: -16.365041 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.205 flat angles C4'-P-C4' energy: -2.135 flat angles P-C4'-P energy: -3.357 tors. eta vs tors. theta energy: -2.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -24.347870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.347870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.347870 (E_RNA) where: Base-Base interactions energy: -7.557 where: short stacking energy: -7.557 Base-Backbone interact. energy: -0.000 local terms energy: -16.790855 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.257 flat angles P-C4'-P energy: -2.161 tors. eta vs tors. theta energy: -0.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -23.943548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.943548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.943548 (E_RNA) where: Base-Base interactions energy: -7.749 where: short stacking energy: -7.749 Base-Backbone interact. energy: -0.000 local terms energy: -16.194696 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -3.280 flat angles P-C4'-P energy: -2.548 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: 9, replica: 6 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -19.358928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.358928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.358928 (E_RNA) where: Base-Base interactions energy: -3.194 where: short stacking energy: -3.194 Base-Backbone interact. energy: -0.033 local terms energy: -16.132499 where: bonds (distance) C4'-P energy: -3.861 bonds (distance) P-C4' energy: -4.044 flat angles C4'-P-C4' energy: -3.280 flat angles P-C4'-P energy: -1.498 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: 10, replica: 4 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -19.689099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.689099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.689099 (E_RNA) where: Base-Base interactions energy: -4.395 where: short stacking energy: -4.395 Base-Backbone interact. energy: -0.024 local terms energy: -15.269928 where: bonds (distance) C4'-P energy: -3.673 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -3.548 flat angles P-C4'-P energy: -2.485 tors. eta vs tors. theta energy: -1.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -26.595432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.595432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.595432 (E_RNA) where: Base-Base interactions energy: -7.749 where: short stacking energy: -7.749 Base-Backbone interact. energy: -0.000 local terms energy: -18.846001 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.130 flat angles P-C4'-P energy: -3.006 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: 2, replica: 2 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -25.623215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.623215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.623215 (E_RNA) where: Base-Base interactions energy: -7.776 where: short stacking energy: -7.776 Base-Backbone interact. energy: -0.000 local terms energy: -17.846961 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.367 flat angles C4'-P-C4' energy: -3.586 flat angles P-C4'-P energy: -2.590 tors. eta vs tors. theta energy: -2.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -24.910528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.910528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.910528 (E_RNA) where: Base-Base interactions energy: -8.128 where: short stacking energy: -8.128 Base-Backbone interact. energy: -0.000 local terms energy: -16.782961 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -4.290 flat angles P-C4'-P energy: -1.078 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: 10 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -26.124868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.124868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.124868 (E_RNA) where: Base-Base interactions energy: -7.584 where: short stacking energy: -7.584 Base-Backbone interact. energy: -0.021 local terms energy: -18.519579 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.500 flat angles P-C4'-P energy: -3.171 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: 5, replica: 7 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -24.374436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.374436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.374436 (E_RNA) where: Base-Base interactions energy: -10.609 where: short stacking energy: -10.609 Base-Backbone interact. energy: -0.003 local terms energy: -13.762507 where: bonds (distance) C4'-P energy: -0.735 bonds (distance) P-C4' energy: -3.984 flat angles C4'-P-C4' energy: -3.891 flat angles P-C4'-P energy: -3.651 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: 6, replica: 5 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -24.325444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.325444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.325444 (E_RNA) where: Base-Base interactions energy: -7.328 where: short stacking energy: -7.328 Base-Backbone interact. energy: -0.001 local terms energy: -16.996315 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -2.484 flat angles P-C4'-P energy: -2.255 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: 7, replica: 3 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -22.988402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.988402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.988402 (E_RNA) where: Base-Base interactions energy: -4.355 where: short stacking energy: -4.355 Base-Backbone interact. energy: -0.000 local terms energy: -18.633187 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -3.815 flat angles C4'-P-C4' energy: -4.751 flat angles P-C4'-P energy: -2.554 tors. eta vs tors. theta energy: -3.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -25.175707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.175707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.175707 (E_RNA) where: Base-Base interactions energy: -7.318 where: short stacking energy: -7.318 Base-Backbone interact. energy: -0.841 local terms energy: -17.017213 where: bonds (distance) C4'-P energy: -4.125 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.468 flat angles P-C4'-P energy: -2.405 tors. eta vs tors. theta energy: -0.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -21.245604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.245604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.245604 (E_RNA) where: Base-Base interactions energy: -4.323 where: short stacking energy: -4.323 Base-Backbone interact. energy: -0.070 local terms energy: -16.853347 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.650 flat angles P-C4'-P energy: -2.745 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: 10, replica: 4 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -19.711893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.711893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.711893 (E_RNA) where: Base-Base interactions energy: -3.913 where: short stacking energy: -3.913 Base-Backbone interact. energy: -0.000 local terms energy: -15.799329 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.606 flat angles P-C4'-P energy: -2.141 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: 1, replica: 2 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -26.131632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.131632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.131632 (E_RNA) where: Base-Base interactions energy: -6.955 where: short stacking energy: -6.955 Base-Backbone interact. energy: -0.006 local terms energy: -19.170992 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.067 flat angles P-C4'-P energy: -4.083 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: 2, replica: 8 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -27.624827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.624827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.624827 (E_RNA) where: Base-Base interactions energy: -9.115 where: short stacking energy: -9.115 Base-Backbone interact. energy: -0.000 local terms energy: -18.509827 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.858 flat angles P-C4'-P energy: -2.993 tors. eta vs tors. theta energy: -2.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -23.598747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.598747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.598747 (E_RNA) where: Base-Base interactions energy: -6.307 where: short stacking energy: -6.307 Base-Backbone interact. energy: -0.000 local terms energy: -17.291685 where: bonds (distance) C4'-P energy: -4.311 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.324 flat angles P-C4'-P energy: -1.857 tors. eta vs tors. theta energy: -1.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -25.482534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.482534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.482534 (E_RNA) where: Base-Base interactions energy: -8.057 where: short stacking energy: -8.057 Base-Backbone interact. energy: -0.010 local terms energy: -17.415305 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.697 flat angles P-C4'-P energy: -1.651 tors. eta vs tors. theta energy: -1.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -24.113074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.113074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.113074 (E_RNA) where: Base-Base interactions energy: -7.218 where: short stacking energy: -7.218 Base-Backbone interact. energy: -0.017 local terms energy: -16.877915 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -4.163 flat angles P-C4'-P energy: -3.029 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: 6, replica: 7 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -21.135427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.135427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.135427 (E_RNA) where: Base-Base interactions energy: -3.484 where: short stacking energy: -3.484 Base-Backbone interact. energy: -0.000 local terms energy: -17.651804 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -3.984 flat angles C4'-P-C4' energy: -2.855 flat angles P-C4'-P energy: -2.637 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: 7, replica: 3 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -23.017274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.017274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.017274 (E_RNA) where: Base-Base interactions energy: -7.948 where: short stacking energy: -7.948 Base-Backbone interact. energy: -0.059 local terms energy: -15.010686 where: bonds (distance) C4'-P energy: -3.442 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -3.317 flat angles P-C4'-P energy: -2.281 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: 8, replica: 6 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -23.238976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.238976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.238976 (E_RNA) where: Base-Base interactions energy: -7.536 where: short stacking energy: -7.536 Base-Backbone interact. energy: -0.001 local terms energy: -15.701513 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.631 flat angles C4'-P-C4' energy: -4.173 flat angles P-C4'-P energy: -2.555 tors. eta vs tors. theta energy: 0.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -25.934884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.934884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.934884 (E_RNA) where: Base-Base interactions energy: -8.761 where: short stacking energy: -8.761 Base-Backbone interact. energy: -0.000 local terms energy: -17.173518 where: bonds (distance) C4'-P energy: -3.583 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.570 flat angles P-C4'-P energy: -1.068 tors. eta vs tors. theta energy: -2.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -20.523304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.523304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.523304 (E_RNA) where: Base-Base interactions energy: -4.673 where: short stacking energy: -4.673 Base-Backbone interact. energy: -0.226 local terms energy: -15.623959 where: bonds (distance) C4'-P energy: -3.152 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -4.280 flat angles P-C4'-P energy: -2.702 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: 1, replica: 2 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -30.799586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.799586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.799586 (E_RNA) where: Base-Base interactions energy: -12.244 where: short stacking energy: -12.244 Base-Backbone interact. energy: -0.000 local terms energy: -18.555460 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.006 flat angles P-C4'-P energy: -3.665 tors. eta vs tors. theta energy: -2.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -25.208876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.208876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.208876 (E_RNA) where: Base-Base interactions energy: -6.331 where: short stacking energy: -6.331 Base-Backbone interact. energy: -0.000 local terms energy: -18.878018 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.325 flat angles P-C4'-P energy: -1.831 tors. eta vs tors. theta energy: -3.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -26.563641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.563641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.563641 (E_RNA) where: Base-Base interactions energy: -9.229 where: short stacking energy: -9.229 Base-Backbone interact. energy: -0.096 local terms energy: -17.239018 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.974 flat angles P-C4'-P energy: -1.525 tors. eta vs tors. theta energy: -2.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -28.104253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.104253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.104253 (E_RNA) where: Base-Base interactions energy: -10.074 where: short stacking energy: -10.074 Base-Backbone interact. energy: -0.000 local terms energy: -18.030705 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -3.532 flat angles C4'-P-C4' energy: -3.974 flat angles P-C4'-P energy: -2.197 tors. eta vs tors. theta energy: -4.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -24.221566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.221566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.221566 (E_RNA) where: Base-Base interactions energy: -6.857 where: short stacking energy: -6.857 Base-Backbone interact. energy: -0.000 local terms energy: -17.364880 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -3.324 flat angles C4'-P-C4' energy: -3.745 flat angles P-C4'-P energy: -3.406 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: 6, replica: 3 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -22.350718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.350718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.350718 (E_RNA) where: Base-Base interactions energy: -4.978 where: short stacking energy: -4.978 Base-Backbone interact. energy: -0.022 local terms energy: -17.350239 where: bonds (distance) C4'-P energy: -2.962 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -3.749 flat angles P-C4'-P energy: -3.470 tors. eta vs tors. theta energy: -2.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -25.040088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.040088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.040088 (E_RNA) where: Base-Base interactions energy: -9.648 where: short stacking energy: -9.648 Base-Backbone interact. energy: -0.001 local terms energy: -15.390835 where: bonds (distance) C4'-P energy: -3.384 bonds (distance) P-C4' energy: -3.332 flat angles C4'-P-C4' energy: -0.811 flat angles P-C4'-P energy: -3.074 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: 8, replica: 6 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -19.964950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.964950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.964950 (E_RNA) where: Base-Base interactions energy: -7.482 where: short stacking energy: -7.482 Base-Backbone interact. energy: -0.000 local terms energy: -12.482799 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.148 flat angles P-C4'-P energy: 1.609 tors. eta vs tors. theta energy: -1.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -26.015672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.015672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.015672 (E_RNA) where: Base-Base interactions energy: -7.418 where: short stacking energy: -7.418 Base-Backbone interact. energy: -0.000 local terms energy: -18.597826 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -3.113 flat angles P-C4'-P energy: -3.156 tors. eta vs tors. theta energy: -3.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -21.192542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.192542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.192542 (E_RNA) where: Base-Base interactions energy: -5.626 where: short stacking energy: -5.626 Base-Backbone interact. energy: -0.001 local terms energy: -15.565036 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -1.165 flat angles P-C4'-P energy: -3.729 tors. eta vs tors. theta energy: -2.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -27.123347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.123347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.123347 (E_RNA) where: Base-Base interactions energy: -7.330 where: short stacking energy: -7.330 Base-Backbone interact. energy: -1.701 local terms energy: -18.092283 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.509 flat angles P-C4'-P energy: -3.400 tors. eta vs tors. theta energy: -0.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -28.735908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.735908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.735908 (E_RNA) where: Base-Base interactions energy: -9.888 where: short stacking energy: -9.888 Base-Backbone interact. energy: -0.000 local terms energy: -18.847863 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.471 flat angles P-C4'-P energy: -2.588 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: 3, replica: 5 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -27.122116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.122116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.122116 (E_RNA) where: Base-Base interactions energy: -8.766 where: short stacking energy: -8.766 Base-Backbone interact. energy: -0.000 local terms energy: -18.355711 where: bonds (distance) C4'-P energy: -3.939 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.006 flat angles P-C4'-P energy: -3.702 tors. eta vs tors. theta energy: -1.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -26.779512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.779512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.779512 (E_RNA) where: Base-Base interactions energy: -9.409 where: short stacking energy: -9.409 Base-Backbone interact. energy: -0.004 local terms energy: -17.367211 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -3.040 flat angles C4'-P-C4' energy: -4.484 flat angles P-C4'-P energy: -2.982 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: 3 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -22.037491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.037491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.037491 (E_RNA) where: Base-Base interactions energy: -7.783 where: short stacking energy: -7.783 Base-Backbone interact. energy: -0.001 local terms energy: -14.253609 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.817 flat angles P-C4'-P energy: 0.742 tors. eta vs tors. theta energy: -0.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -21.450869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.450869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.450869 (E_RNA) where: Base-Base interactions energy: -4.626 where: short stacking energy: -4.626 Base-Backbone interact. energy: -0.001 local terms energy: -16.823314 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -4.786 flat angles P-C4'-P energy: -1.541 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: 7, replica: 6 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -25.061961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.061961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.061961 (E_RNA) where: Base-Base interactions energy: -7.502 where: short stacking energy: -7.502 Base-Backbone interact. energy: -0.000 local terms energy: -17.559555 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -3.811 flat angles C4'-P-C4' energy: -4.254 flat angles P-C4'-P energy: -3.521 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: 8, replica: 7 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -29.341290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.341290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.341290 (E_RNA) where: Base-Base interactions energy: -11.071 where: short stacking energy: -11.071 Base-Backbone interact. energy: -0.028 local terms energy: -18.242506 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -3.984 flat angles C4'-P-C4' energy: -2.845 flat angles P-C4'-P energy: -3.854 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: 9, replica: 9 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -19.614381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.614381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.614381 (E_RNA) where: Base-Base interactions energy: -4.217 where: short stacking energy: -4.217 Base-Backbone interact. energy: -0.112 local terms energy: -15.286158 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -2.223 flat angles C4'-P-C4' energy: -3.637 flat angles P-C4'-P energy: -3.017 tors. eta vs tors. theta energy: -1.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -17.836803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.836803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.836803 (E_RNA) where: Base-Base interactions energy: 0.000 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.742 local terms energy: -17.094569 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.203 flat angles P-C4'-P energy: -3.814 tors. eta vs tors. theta energy: -0.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -28.663630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.663630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.663630 (E_RNA) where: Base-Base interactions energy: -12.241 where: short stacking energy: -12.241 Base-Backbone interact. energy: -0.000 local terms energy: -16.422450 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.187 flat angles P-C4'-P energy: -1.252 tors. eta vs tors. theta energy: -2.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -31.509540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.509540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.509540 (E_RNA) where: Base-Base interactions energy: -12.010 where: short stacking energy: -12.010 Base-Backbone interact. energy: -0.000 local terms energy: -19.499745 where: bonds (distance) C4'-P energy: -2.263 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.783 flat angles P-C4'-P energy: -3.853 tors. eta vs tors. theta energy: -4.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -29.291682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.291682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.291682 (E_RNA) where: Base-Base interactions energy: -9.915 where: short stacking energy: -9.915 Base-Backbone interact. energy: -0.000 local terms energy: -19.376209 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.923 flat angles P-C4'-P energy: -1.827 tors. eta vs tors. theta energy: -4.371 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: 3 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -28.308174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.308174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.308174 (E_RNA) where: Base-Base interactions energy: -9.855 where: short stacking energy: -9.855 Base-Backbone interact. energy: -0.000 local terms energy: -18.452627 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -3.522 flat angles C4'-P-C4' energy: -3.724 flat angles P-C4'-P energy: -2.241 tors. eta vs tors. theta energy: -4.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -27.039534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.039534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.039534 (E_RNA) where: Base-Base interactions energy: -11.655 where: short stacking energy: -11.655 Base-Backbone interact. energy: -0.092 local terms energy: -15.292423 where: bonds (distance) C4'-P energy: -3.290 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -2.781 flat angles P-C4'-P energy: -2.495 tors. eta vs tors. theta energy: -1.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -25.968263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.968263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.968263 (E_RNA) where: Base-Base interactions energy: -7.484 where: short stacking energy: -7.484 Base-Backbone interact. energy: -0.000 local terms energy: -18.484627 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.395 flat angles C4'-P-C4' energy: -4.678 flat angles P-C4'-P energy: -2.587 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: 1 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -23.049732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.049732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.049732 (E_RNA) where: Base-Base interactions energy: -4.157 where: short stacking energy: -4.157 Base-Backbone interact. energy: -0.002 local terms energy: -18.891391 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.305 flat angles P-C4'-P energy: -3.449 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: 8, replica: 9 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -25.248891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.248891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.248891 (E_RNA) where: Base-Base interactions energy: -8.124 where: short stacking energy: -8.124 Base-Backbone interact. energy: -0.016 local terms energy: -17.108921 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.002 flat angles P-C4'-P energy: -1.436 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: 9, replica: 7 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -21.755458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.755458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.755458 (E_RNA) where: Base-Base interactions energy: -3.943 where: short stacking energy: -3.943 Base-Backbone interact. energy: -0.000 local terms energy: -17.812444 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.026 flat angles P-C4'-P energy: -3.757 tors. eta vs tors. theta energy: -2.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -22.440981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.440981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.440981 (E_RNA) where: Base-Base interactions energy: -7.171 where: short stacking energy: -7.171 Base-Backbone interact. energy: -0.000 local terms energy: -15.269701 where: bonds (distance) C4'-P energy: -3.823 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.167 flat angles P-C4'-P energy: -2.129 tors. eta vs tors. theta energy: 0.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -32.551704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.551704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.551704 (E_RNA) where: Base-Base interactions energy: -12.021 where: short stacking energy: -12.021 Base-Backbone interact. energy: -0.000 local terms energy: -20.530585 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.383 flat angles P-C4'-P energy: -3.362 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: 2, replica: 5 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -27.925618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.925618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.925618 (E_RNA) where: Base-Base interactions energy: -11.037 where: short stacking energy: -11.037 Base-Backbone interact. energy: -0.003 local terms energy: -16.885299 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.849 flat angles P-C4'-P energy: -2.063 tors. eta vs tors. theta energy: -1.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -27.192141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.192141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.192141 (E_RNA) where: Base-Base interactions energy: -8.103 where: short stacking energy: -8.103 Base-Backbone interact. energy: -0.078 local terms energy: -19.011014 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -3.994 flat angles P-C4'-P energy: -3.201 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: 4, replica: 2 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -31.403950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.403950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.403950 (E_RNA) where: Base-Base interactions energy: -11.715 where: short stacking energy: -11.715 Base-Backbone interact. energy: -0.000 local terms energy: -19.689014 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -2.006 flat angles P-C4'-P energy: -3.202 tors. eta vs tors. theta energy: -5.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -25.848175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.848175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.848175 (E_RNA) where: Base-Base interactions energy: -10.376 where: short stacking energy: -10.376 Base-Backbone interact. energy: -0.005 local terms energy: -15.466320 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -3.101 flat angles P-C4'-P energy: -1.573 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: 6, replica: 6 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -25.344793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.344793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.344793 (E_RNA) where: Base-Base interactions energy: -6.819 where: short stacking energy: -6.819 Base-Backbone interact. energy: -0.611 local terms energy: -17.915152 where: bonds (distance) C4'-P energy: -2.970 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -4.311 flat angles P-C4'-P energy: -3.884 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: 9 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -27.578936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.578936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.578936 (E_RNA) where: Base-Base interactions energy: -12.831 where: short stacking energy: -12.831 Base-Backbone interact. energy: -0.000 local terms energy: -14.747748 where: bonds (distance) C4'-P energy: -1.827 bonds (distance) P-C4' energy: -4.842 flat angles C4'-P-C4' energy: -2.578 flat angles P-C4'-P energy: -2.668 tors. eta vs tors. theta energy: -2.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -21.229475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.229475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.229475 (E_RNA) where: Base-Base interactions energy: -3.202 where: short stacking energy: -3.404 Base-Backbone interact. energy: -1.054 local terms energy: -16.973965 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -4.943 flat angles P-C4'-P energy: -3.318 tors. eta vs tors. theta energy: -0.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -22.755960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.755960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.755960 (E_RNA) where: Base-Base interactions energy: -4.463 where: short stacking energy: -4.463 Base-Backbone interact. energy: -0.016 local terms energy: -18.277678 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.604 flat angles P-C4'-P energy: -2.814 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: 10, replica: 7 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -20.281667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.281667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.281667 (E_RNA) where: Base-Base interactions energy: -4.631 where: short stacking energy: -4.631 Base-Backbone interact. energy: -0.000 local terms energy: -15.650347 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -1.104 flat angles P-C4'-P energy: -3.127 tors. eta vs tors. theta energy: -2.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -27.694705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.694705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.694705 (E_RNA) where: Base-Base interactions energy: -8.780 where: short stacking energy: -8.780 Base-Backbone interact. energy: -0.025 local terms energy: -18.889499 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.960 flat angles P-C4'-P energy: -3.189 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: 2, replica: 5 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -26.358507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.358507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.358507 (E_RNA) where: Base-Base interactions energy: -5.542 where: short stacking energy: -6.230 Base-Backbone interact. energy: -0.000 local terms energy: -20.816118 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.851 flat angles P-C4'-P energy: -3.021 tors. eta vs tors. theta energy: -4.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -26.602532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.602532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.602532 (E_RNA) where: Base-Base interactions energy: -8.315 where: short stacking energy: -8.315 Base-Backbone interact. energy: -0.001 local terms energy: -18.286062 where: bonds (distance) C4'-P energy: -3.956 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -1.205 flat angles P-C4'-P energy: -3.490 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: 4, replica: 8 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -23.282356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.282356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.282356 (E_RNA) where: Base-Base interactions energy: -6.702 where: short stacking energy: -6.702 Base-Backbone interact. energy: -0.000 local terms energy: -16.580846 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -3.719 flat angles P-C4'-P energy: -3.233 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: 5, replica: 2 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -24.233589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.233589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.233589 (E_RNA) where: Base-Base interactions energy: -6.452 where: short stacking energy: -6.893 Base-Backbone interact. energy: -0.000 local terms energy: -17.781193 where: bonds (distance) C4'-P energy: -3.947 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.923 flat angles P-C4'-P energy: -3.843 tors. eta vs tors. theta energy: -0.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -22.841584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.841584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.841584 (E_RNA) where: Base-Base interactions energy: -7.969 where: short stacking energy: -4.576 Base-Backbone interact. energy: -0.088 local terms energy: -14.784023 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.852 flat angles P-C4'-P energy: -3.198 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: 6 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -20.033167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.033167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.033167 (E_RNA) where: Base-Base interactions energy: -5.960 where: short stacking energy: -5.960 Base-Backbone interact. energy: -0.000 local terms energy: -14.073256 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -3.867 flat angles P-C4'-P energy: -2.000 tors. eta vs tors. theta energy: 0.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -24.279010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.279010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.279010 (E_RNA) where: Base-Base interactions energy: -3.781 where: short stacking energy: -3.781 Base-Backbone interact. energy: -0.000 local terms energy: -20.498016 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.299 flat angles P-C4'-P energy: -3.151 tors. eta vs tors. theta energy: -3.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -22.528477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.528477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.528477 (E_RNA) where: Base-Base interactions energy: -4.836 where: short stacking energy: -4.836 Base-Backbone interact. energy: -0.007 local terms energy: -17.686017 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.425 flat angles P-C4'-P energy: -3.759 tors. eta vs tors. theta energy: -0.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -19.954045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.954045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.954045 (E_RNA) where: Base-Base interactions energy: -3.576 where: short stacking energy: -3.576 Base-Backbone interact. energy: -0.886 local terms energy: -15.492015 where: bonds (distance) C4'-P energy: -3.301 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.277 flat angles P-C4'-P energy: -2.615 tors. eta vs tors. theta energy: -0.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -24.611913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.611913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.611913 (E_RNA) where: Base-Base interactions energy: -8.127 where: short stacking energy: -8.127 Base-Backbone interact. energy: -0.074 local terms energy: -16.411298 where: bonds (distance) C4'-P energy: -2.325 bonds (distance) P-C4' energy: -3.790 flat angles C4'-P-C4' energy: -4.595 flat angles P-C4'-P energy: -3.088 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: 2, replica: 5 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -26.638331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.638331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.638331 (E_RNA) where: Base-Base interactions energy: -7.333 where: short stacking energy: -7.333 Base-Backbone interact. energy: -0.000 local terms energy: -19.305569 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -4.118 flat angles P-C4'-P energy: -3.187 tors. eta vs tors. theta energy: -2.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -26.241189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.241189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.241189 (E_RNA) where: Base-Base interactions energy: -7.780 where: short stacking energy: -7.780 Base-Backbone interact. energy: -0.000 local terms energy: -18.461316 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.111 flat angles P-C4'-P energy: -3.065 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: 3 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -25.777370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.777370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.777370 (E_RNA) where: Base-Base interactions energy: -11.366 where: short stacking energy: -11.366 Base-Backbone interact. energy: -0.000 local terms energy: -14.410940 where: bonds (distance) C4'-P energy: -2.900 bonds (distance) P-C4' energy: -4.054 flat angles C4'-P-C4' energy: -3.947 flat angles P-C4'-P energy: -2.949 tors. eta vs tors. theta energy: -0.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -21.047662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.047662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.047662 (E_RNA) where: Base-Base interactions energy: -3.598 where: short stacking energy: -3.598 Base-Backbone interact. energy: -0.011 local terms energy: -17.438407 where: bonds (distance) C4'-P energy: -2.812 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.633 flat angles P-C4'-P energy: -3.747 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: 6, replica: 2 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -26.112220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.112220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.112220 (E_RNA) where: Base-Base interactions energy: -7.366 where: short stacking energy: -7.366 Base-Backbone interact. energy: -0.000 local terms energy: -18.746477 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.187 flat angles P-C4'-P energy: -3.395 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: 7, replica: 4 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -24.942877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.942877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.942877 (E_RNA) where: Base-Base interactions energy: -7.423 where: short stacking energy: -7.423 Base-Backbone interact. energy: -0.000 local terms energy: -17.519944 where: bonds (distance) C4'-P energy: -3.152 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.422 flat angles P-C4'-P energy: -3.405 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: 8, replica: 6 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -24.316577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.316577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.316577 (E_RNA) where: Base-Base interactions energy: -7.531 where: short stacking energy: -7.531 Base-Backbone interact. energy: -0.009 local terms energy: -16.776621 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.280 flat angles P-C4'-P energy: -1.917 tors. eta vs tors. theta energy: -1.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -23.788291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.788291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.788291 (E_RNA) where: Base-Base interactions energy: -5.681 where: short stacking energy: -5.681 Base-Backbone interact. energy: -0.000 local terms energy: -18.106882 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.449 flat angles P-C4'-P energy: -2.753 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: 10, replica: 1 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -18.657349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.657349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.657349 (E_RNA) where: Base-Base interactions energy: -3.912 where: short stacking energy: -3.912 Base-Backbone interact. energy: -0.017 local terms energy: -14.728556 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.951 flat angles P-C4'-P energy: -2.180 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: 1, replica: 10 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -29.911910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.911910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.911910 (E_RNA) where: Base-Base interactions energy: -10.932 where: short stacking energy: -10.932 Base-Backbone interact. energy: -0.001 local terms energy: -18.979407 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.205 flat angles C4'-P-C4' energy: -4.557 flat angles P-C4'-P energy: -2.654 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: 8 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -30.080480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.080480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.080480 (E_RNA) where: Base-Base interactions energy: -10.930 where: short stacking energy: -10.930 Base-Backbone interact. energy: -0.000 local terms energy: -19.150594 where: bonds (distance) C4'-P energy: -2.379 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.540 flat angles P-C4'-P energy: -3.190 tors. eta vs tors. theta energy: -4.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -25.764452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.764452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.764452 (E_RNA) where: Base-Base interactions energy: -7.740 where: short stacking energy: -7.740 Base-Backbone interact. energy: -0.000 local terms energy: -18.024519 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -3.230 flat angles P-C4'-P energy: -2.780 tors. eta vs tors. theta energy: -2.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -27.836072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.836072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.836072 (E_RNA) where: Base-Base interactions energy: -10.837 where: short stacking energy: -10.837 Base-Backbone interact. energy: -0.000 local terms energy: -16.998703 where: bonds (distance) C4'-P energy: -3.761 bonds (distance) P-C4' energy: -3.966 flat angles C4'-P-C4' energy: -4.093 flat angles P-C4'-P energy: -2.255 tors. eta vs tors. theta energy: -2.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -26.645116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.645116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.645116 (E_RNA) where: Base-Base interactions energy: -8.025 where: short stacking energy: -8.025 Base-Backbone interact. energy: -0.000 local terms energy: -18.619339 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -3.103 flat angles C4'-P-C4' energy: -3.978 flat angles P-C4'-P energy: -2.643 tors. eta vs tors. theta energy: -4.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -21.980024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.980024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.980024 (E_RNA) where: Base-Base interactions energy: -6.793 where: short stacking energy: -6.793 Base-Backbone interact. energy: -0.038 local terms energy: -15.149002 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.042 flat angles P-C4'-P energy: -2.957 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: 7, replica: 2 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -19.651120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.651120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.651120 (E_RNA) where: Base-Base interactions energy: -4.713 where: short stacking energy: -4.713 Base-Backbone interact. energy: -0.001 local terms energy: -14.937598 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.290 flat angles P-C4'-P energy: -3.235 tors. eta vs tors. theta energy: 2.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -21.595001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.595001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.595001 (E_RNA) where: Base-Base interactions energy: -8.979 where: short stacking energy: -8.979 Base-Backbone interact. energy: -0.084 local terms energy: -12.531851 where: bonds (distance) C4'-P energy: -3.036 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -4.047 flat angles P-C4'-P energy: -0.990 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: 9, replica: 6 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -21.543284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.543284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.543284 (E_RNA) where: Base-Base interactions energy: -8.096 where: short stacking energy: -8.096 Base-Backbone interact. energy: -0.000 local terms energy: -13.447473 where: bonds (distance) C4'-P energy: -2.309 bonds (distance) P-C4' energy: -3.103 flat angles C4'-P-C4' energy: -3.448 flat angles P-C4'-P energy: -2.275 tors. eta vs tors. theta energy: -2.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -19.605125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.605125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.605125 (E_RNA) where: Base-Base interactions energy: -3.793 where: short stacking energy: -3.793 Base-Backbone interact. energy: -0.016 local terms energy: -15.795798 where: bonds (distance) C4'-P energy: -3.202 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -3.201 flat angles P-C4'-P energy: -3.254 tors. eta vs tors. theta energy: -1.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -27.980881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.980881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.980881 (E_RNA) where: Base-Base interactions energy: -7.165 where: short stacking energy: -7.165 Base-Backbone interact. energy: -0.021 local terms energy: -20.794322 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.313 flat angles P-C4'-P energy: -4.006 tors. eta vs tors. theta energy: -3.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -26.159928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.159928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.159928 (E_RNA) where: Base-Base interactions energy: -7.362 where: short stacking energy: -7.492 Base-Backbone interact. energy: -0.100 local terms energy: -18.698830 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.092 flat angles P-C4'-P energy: -3.442 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: 9 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -29.159210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.159210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.159210 (E_RNA) where: Base-Base interactions energy: -10.385 where: short stacking energy: -10.385 Base-Backbone interact. energy: -0.000 local terms energy: -18.774604 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -4.150 flat angles P-C4'-P energy: -3.091 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: 5 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -25.816609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.816609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.816609 (E_RNA) where: Base-Base interactions energy: -7.687 where: short stacking energy: -7.687 Base-Backbone interact. energy: -0.000 local terms energy: -18.129168 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.559 flat angles P-C4'-P energy: -2.972 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: 5, replica: 4 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -27.437000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.437000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.437000 (E_RNA) where: Base-Base interactions energy: -9.772 where: short stacking energy: -9.772 Base-Backbone interact. energy: -0.000 local terms energy: -17.665464 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -3.910 flat angles P-C4'-P energy: -2.314 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: 6, replica: 3 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -21.855581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.855581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.855581 (E_RNA) where: Base-Base interactions energy: -7.613 where: short stacking energy: -7.613 Base-Backbone interact. energy: -0.033 local terms energy: -14.209301 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -2.705 flat angles C4'-P-C4' energy: -3.123 flat angles P-C4'-P energy: -3.881 tors. eta vs tors. theta energy: -0.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -23.069337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.069337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.069337 (E_RNA) where: Base-Base interactions energy: -6.053 where: short stacking energy: -6.053 Base-Backbone interact. energy: -0.000 local terms energy: -17.016624 where: bonds (distance) C4'-P energy: -3.070 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -4.520 flat angles P-C4'-P energy: -2.753 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: 8, replica: 2 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -20.503101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.503101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.503101 (E_RNA) where: Base-Base interactions energy: -7.236 where: short stacking energy: -7.236 Base-Backbone interact. energy: -0.000 local terms energy: -13.266677 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.311 flat angles C4'-P-C4' energy: -3.801 flat angles P-C4'-P energy: -1.760 tors. eta vs tors. theta energy: 0.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -24.635401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.635401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.635401 (E_RNA) where: Base-Base interactions energy: -6.474 where: short stacking energy: -6.474 Base-Backbone interact. energy: -0.000 local terms energy: -18.161726 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.925 flat angles P-C4'-P energy: -1.967 tors. eta vs tors. theta energy: -2.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -22.541060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.541060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.541060 (E_RNA) where: Base-Base interactions energy: -6.239 where: short stacking energy: -6.239 Base-Backbone interact. energy: -0.026 local terms energy: -16.276573 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -3.257 flat angles C4'-P-C4' energy: -4.717 flat angles P-C4'-P energy: -2.957 tors. eta vs tors. theta energy: -0.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -26.799938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.799938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.799938 (E_RNA) where: Base-Base interactions energy: -10.220 where: short stacking energy: -10.220 Base-Backbone interact. energy: -0.000 local terms energy: -16.580371 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -2.842 flat angles C4'-P-C4' energy: -4.422 flat angles P-C4'-P energy: -3.229 tors. eta vs tors. theta energy: -1.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -28.679417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.679417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.679417 (E_RNA) where: Base-Base interactions energy: -8.193 where: short stacking energy: -8.193 Base-Backbone interact. energy: -0.000 local terms energy: -20.486505 where: bonds (distance) C4'-P energy: -3.566 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.619 flat angles P-C4'-P energy: -3.205 tors. eta vs tors. theta energy: -4.979 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: 10 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -21.711498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.711498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.711498 (E_RNA) where: Base-Base interactions energy: -4.981 where: short stacking energy: -4.981 Base-Backbone interact. energy: -0.040 local terms energy: -16.690733 where: bonds (distance) C4'-P energy: -2.743 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.487 flat angles P-C4'-P energy: -3.921 tors. eta vs tors. theta energy: -0.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -25.678015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.678015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.678015 (E_RNA) where: Base-Base interactions energy: -7.041 where: short stacking energy: -7.041 Base-Backbone interact. energy: -0.000 local terms energy: -18.637071 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.413 flat angles C4'-P-C4' energy: -4.168 flat angles P-C4'-P energy: -3.728 tors. eta vs tors. theta energy: -2.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -22.207056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.207056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.207056 (E_RNA) where: Base-Base interactions energy: -6.723 where: short stacking energy: -6.723 Base-Backbone interact. energy: -0.031 local terms energy: -15.453018 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.666 flat angles P-C4'-P energy: -3.277 tors. eta vs tors. theta energy: 1.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -20.791839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.791839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.791839 (E_RNA) where: Base-Base interactions energy: -4.623 where: short stacking energy: -4.623 Base-Backbone interact. energy: -0.000 local terms energy: -16.168750 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.276 flat angles P-C4'-P energy: -3.021 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: 7, replica: 3 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -27.961895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.961895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.961895 (E_RNA) where: Base-Base interactions energy: -8.766 where: short stacking energy: -8.766 Base-Backbone interact. energy: -0.000 local terms energy: -19.196299 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.904 flat angles P-C4'-P energy: -2.137 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: 8, replica: 1 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -23.080909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.080909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.080909 (E_RNA) where: Base-Base interactions energy: -4.214 where: short stacking energy: -4.214 Base-Backbone interact. energy: -0.000 local terms energy: -18.867040 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.676 flat angles P-C4'-P energy: -2.262 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: 2 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -24.433161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.433161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.433161 (E_RNA) where: Base-Base interactions energy: -5.703 where: short stacking energy: -5.703 Base-Backbone interact. energy: -0.000 local terms energy: -18.730201 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.156 flat angles C4'-P-C4' energy: -3.683 flat angles P-C4'-P energy: -3.296 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: 10, replica: 6 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -23.059350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.059350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.059350 (E_RNA) where: Base-Base interactions energy: -6.836 where: short stacking energy: -6.836 Base-Backbone interact. energy: -0.078 local terms energy: -16.145553 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -3.208 flat angles C4'-P-C4' energy: -3.841 flat angles P-C4'-P energy: -2.757 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: 1, replica: 8 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -29.245559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.245559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.245559 (E_RNA) where: Base-Base interactions energy: -11.861 where: short stacking energy: -11.942 Base-Backbone interact. energy: -0.007 local terms energy: -17.377198 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.189 flat angles P-C4'-P energy: -2.132 tors. eta vs tors. theta energy: -3.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -23.254247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.254247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.254247 (E_RNA) where: Base-Base interactions energy: -7.366 where: short stacking energy: -7.366 Base-Backbone interact. energy: -0.145 local terms energy: -15.743084 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.273 flat angles P-C4'-P energy: -2.759 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: 3, replica: 4 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -25.972038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.972038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.972038 (E_RNA) where: Base-Base interactions energy: -6.832 where: short stacking energy: -6.832 Base-Backbone interact. energy: -0.000 local terms energy: -19.139559 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.363 flat angles P-C4'-P energy: -3.426 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: 228 Temperature: 1.050000 Total energy: -26.504597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.504597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.504597 (E_RNA) where: Base-Base interactions energy: -11.425 where: short stacking energy: -11.425 Base-Backbone interact. energy: -0.000 local terms energy: -15.080041 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -4.152 flat angles C4'-P-C4' energy: -4.187 flat angles P-C4'-P energy: -1.804 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: 7 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -21.813205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.813205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.813205 (E_RNA) where: Base-Base interactions energy: -4.311 where: short stacking energy: -4.311 Base-Backbone interact. energy: -0.002 local terms energy: -17.500998 where: bonds (distance) C4'-P energy: -2.387 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.085 flat angles P-C4'-P energy: -3.636 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: 6, replica: 5 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -23.995493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.995493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.995493 (E_RNA) where: Base-Base interactions energy: -7.630 where: short stacking energy: -7.630 Base-Backbone interact. energy: -0.000 local terms energy: -16.365713 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.356 flat angles P-C4'-P energy: -3.187 tors. eta vs tors. theta energy: -1.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -23.081599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.081599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.081599 (E_RNA) where: Base-Base interactions energy: -5.273 where: short stacking energy: -5.273 Base-Backbone interact. energy: -0.000 local terms energy: -17.808994 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.411 flat angles P-C4'-P energy: -3.035 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: 8, replica: 3 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -23.095294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.095294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.095294 (E_RNA) where: Base-Base interactions energy: -9.285 where: short stacking energy: -9.285 Base-Backbone interact. energy: -0.011 local terms energy: -13.798704 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -2.581 flat angles C4'-P-C4' energy: -2.883 flat angles P-C4'-P energy: -3.976 tors. eta vs tors. theta energy: -0.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -21.630446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.630446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.630446 (E_RNA) where: Base-Base interactions energy: -6.195 where: short stacking energy: -6.195 Base-Backbone interact. energy: -0.089 local terms energy: -15.345857 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.983 flat angles P-C4'-P energy: -3.644 tors. eta vs tors. theta energy: -0.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -20.629749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.629749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.629749 (E_RNA) where: Base-Base interactions energy: -1.903 where: short stacking energy: -1.903 Base-Backbone interact. energy: -0.000 local terms energy: -18.726300 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.095 flat angles P-C4'-P energy: -3.473 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: 1, replica: 8 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -27.398309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.398309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.398309 (E_RNA) where: Base-Base interactions energy: -7.759 where: short stacking energy: -7.759 Base-Backbone interact. energy: -0.000 local terms energy: -19.639445 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.186 flat angles P-C4'-P energy: -1.180 tors. eta vs tors. theta energy: -4.982 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: 4 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -25.196301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.196301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.196301 (E_RNA) where: Base-Base interactions energy: -10.021 where: short stacking energy: -10.021 Base-Backbone interact. energy: -0.000 local terms energy: -15.174910 where: bonds (distance) C4'-P energy: -3.264 bonds (distance) P-C4' energy: -3.815 flat angles C4'-P-C4' energy: -2.334 flat angles P-C4'-P energy: -2.815 tors. eta vs tors. theta energy: -2.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -28.606250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.606250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.606250 (E_RNA) where: Base-Base interactions energy: -7.432 where: short stacking energy: -7.432 Base-Backbone interact. energy: -0.000 local terms energy: -21.174018 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.506 flat angles P-C4'-P energy: -3.636 tors. eta vs tors. theta energy: -4.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -27.001004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.001004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.001004 (E_RNA) where: Base-Base interactions energy: -10.399 where: short stacking energy: -10.399 Base-Backbone interact. energy: -0.000 local terms energy: -16.602399 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.981 flat angles C4'-P-C4' energy: -3.642 flat angles P-C4'-P energy: -2.733 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: 5, replica: 10 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -23.262274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.262274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.262274 (E_RNA) where: Base-Base interactions energy: -7.067 where: short stacking energy: -7.067 Base-Backbone interact. energy: -0.000 local terms energy: -16.195075 where: bonds (distance) C4'-P energy: -3.152 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -3.907 flat angles P-C4'-P energy: -3.077 tors. eta vs tors. theta energy: -1.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -25.633953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.633953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.633953 (E_RNA) where: Base-Base interactions energy: -6.790 where: short stacking energy: -6.790 Base-Backbone interact. energy: -0.000 local terms energy: -18.843678 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.271 flat angles P-C4'-P energy: -2.114 tors. eta vs tors. theta energy: -3.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -25.201589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.201589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.201589 (E_RNA) where: Base-Base interactions energy: -7.580 where: short stacking energy: -7.580 Base-Backbone interact. energy: -0.000 local terms energy: -17.621432 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -4.572 flat angles C4'-P-C4' energy: -4.438 flat angles P-C4'-P energy: -3.259 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: 8, replica: 6 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -21.733030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.733030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.733030 (E_RNA) where: Base-Base interactions energy: -5.855 where: short stacking energy: -5.855 Base-Backbone interact. energy: -0.049 local terms energy: -15.828389 where: bonds (distance) C4'-P energy: -4.311 bonds (distance) P-C4' energy: -3.553 flat angles C4'-P-C4' energy: -3.739 flat angles P-C4'-P energy: -4.040 tors. eta vs tors. theta energy: -0.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -25.167046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.167046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.167046 (E_RNA) where: Base-Base interactions energy: -7.638 where: short stacking energy: -7.638 Base-Backbone interact. energy: -0.000 local terms energy: -17.528459 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -4.016 flat angles P-C4'-P energy: -2.660 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: 10, replica: 2 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -21.398818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.398818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.398818 (E_RNA) where: Base-Base interactions energy: -4.840 where: short stacking energy: -4.840 Base-Backbone interact. energy: -0.001 local terms energy: -16.557896 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -3.466 flat angles P-C4'-P energy: -1.149 tors. eta vs tors. theta energy: -2.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -27.092732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.092732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.092732 (E_RNA) where: Base-Base interactions energy: -10.977 where: short stacking energy: -10.977 Base-Backbone interact. energy: -0.000 local terms energy: -16.116126 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -3.572 flat angles P-C4'-P energy: -0.867 tors. eta vs tors. theta energy: -3.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -26.354293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.354293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.354293 (E_RNA) where: Base-Base interactions energy: -8.181 where: short stacking energy: -8.181 Base-Backbone interact. energy: -0.000 local terms energy: -18.173182 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -3.398 flat angles C4'-P-C4' energy: -4.222 flat angles P-C4'-P energy: -3.471 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: 3, replica: 7 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -27.535741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.535741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.535741 (E_RNA) where: Base-Base interactions energy: -11.682 where: short stacking energy: -11.682 Base-Backbone interact. energy: -0.001 local terms energy: -15.852306 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -3.111 flat angles P-C4'-P energy: -2.819 tors. eta vs tors. theta energy: -1.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -22.855716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.855716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.855716 (E_RNA) where: Base-Base interactions energy: -7.333 where: short stacking energy: -7.333 Base-Backbone interact. energy: 0.692 local terms energy: -16.214925 where: bonds (distance) C4'-P energy: -2.747 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.053 flat angles P-C4'-P energy: -2.979 tors. eta vs tors. theta energy: -2.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -30.928581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.928581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.928581 (E_RNA) where: Base-Base interactions energy: -11.239 where: short stacking energy: -11.239 Base-Backbone interact. energy: -0.000 local terms energy: -19.689854 where: bonds (distance) C4'-P energy: -3.185 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.648 flat angles P-C4'-P energy: -3.702 tors. eta vs tors. theta energy: -3.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -23.774995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.774995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.774995 (E_RNA) where: Base-Base interactions energy: -8.097 where: short stacking energy: -8.097 Base-Backbone interact. energy: -0.000 local terms energy: -15.677629 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -4.867 flat angles C4'-P-C4' energy: -4.480 flat angles P-C4'-P energy: 0.238 tors. eta vs tors. theta energy: -2.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -23.478911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.478911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.478911 (E_RNA) where: Base-Base interactions energy: -6.564 where: short stacking energy: -6.564 Base-Backbone interact. energy: -0.006 local terms energy: -16.908677 where: bonds (distance) C4'-P energy: -2.031 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.926 flat angles P-C4'-P energy: -2.514 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: 8, replica: 5 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -22.202976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.202976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.202976 (E_RNA) where: Base-Base interactions energy: -3.812 where: short stacking energy: -3.812 Base-Backbone interact. energy: -0.000 local terms energy: -18.390724 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -2.481 flat angles C4'-P-C4' energy: -3.836 flat angles P-C4'-P energy: -3.496 tors. eta vs tors. theta energy: -4.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -21.402274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.402274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.402274 (E_RNA) where: Base-Base interactions energy: -7.602 where: short stacking energy: -7.602 Base-Backbone interact. energy: -0.030 local terms energy: -13.770207 where: bonds (distance) C4'-P energy: -2.130 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.364 flat angles P-C4'-P energy: -0.752 tors. eta vs tors. theta energy: -1.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -22.695448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.695448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.695448 (E_RNA) where: Base-Base interactions energy: -5.433 where: short stacking energy: -5.433 Base-Backbone interact. energy: -0.000 local terms energy: -17.262715 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.420 flat angles C4'-P-C4' energy: -3.884 flat angles P-C4'-P energy: -2.753 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: 4 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -31.784657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.784657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.784657 (E_RNA) where: Base-Base interactions energy: -11.364 where: short stacking energy: -11.364 Base-Backbone interact. energy: -0.045 local terms energy: -20.375427 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.013 flat angles P-C4'-P energy: -3.825 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: 2, replica: 7 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -22.573727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.573727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.573727 (E_RNA) where: Base-Base interactions energy: -8.278 where: short stacking energy: -8.278 Base-Backbone interact. energy: -0.003 local terms energy: -14.293300 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.225 flat angles P-C4'-P energy: -2.764 tors. eta vs tors. theta energy: 0.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -25.469717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.469717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.469717 (E_RNA) where: Base-Base interactions energy: -8.245 where: short stacking energy: -8.245 Base-Backbone interact. energy: -0.000 local terms energy: -17.225083 where: bonds (distance) C4'-P energy: -2.564 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.284 flat angles P-C4'-P energy: -2.390 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: 4, replica: 9 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -25.311789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.311789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.311789 (E_RNA) where: Base-Base interactions energy: -8.207 where: short stacking energy: -8.207 Base-Backbone interact. energy: -0.002 local terms energy: -17.102769 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.534 flat angles P-C4'-P energy: -1.181 tors. eta vs tors. theta energy: -3.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -26.378419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.378419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.378419 (E_RNA) where: Base-Base interactions energy: -9.815 where: short stacking energy: -9.815 Base-Backbone interact. energy: -0.000 local terms energy: -16.563494 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -3.748 flat angles C4'-P-C4' energy: -3.607 flat angles P-C4'-P energy: -3.843 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: 6, replica: 6 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -28.291462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.291462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.291462 (E_RNA) where: Base-Base interactions energy: -9.392 where: short stacking energy: -9.392 Base-Backbone interact. energy: -0.000 local terms energy: -18.898990 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.308 flat angles P-C4'-P energy: -0.435 tors. eta vs tors. theta energy: -4.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -21.118106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.118106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.118106 (E_RNA) where: Base-Base interactions energy: -4.441 where: short stacking energy: -4.441 Base-Backbone interact. energy: -0.002 local terms energy: -16.675831 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.435 flat angles P-C4'-P energy: -2.612 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: 231 Temperature: 1.250000 Total energy: -21.734730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.734730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.734730 (E_RNA) where: Base-Base interactions energy: -7.795 where: short stacking energy: -7.795 Base-Backbone interact. energy: -0.057 local terms energy: -13.882825 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -2.383 flat angles C4'-P-C4' energy: -3.956 flat angles P-C4'-P energy: -2.505 tors. eta vs tors. theta energy: -0.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -19.051668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.051668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.051668 (E_RNA) where: Base-Base interactions energy: -3.468 where: short stacking energy: -3.468 Base-Backbone interact. energy: -0.081 local terms energy: -15.502525 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.345 flat angles P-C4'-P energy: -2.836 tors. eta vs tors. theta energy: -0.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -18.386963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.386963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.386963 (E_RNA) where: Base-Base interactions energy: -5.391 where: short stacking energy: -5.391 Base-Backbone interact. energy: -0.000 local terms energy: -12.995632 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.254 flat angles P-C4'-P energy: 0.277 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: 1, replica: 7 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -27.235473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.235473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.235473 (E_RNA) where: Base-Base interactions energy: -7.916 where: short stacking energy: -7.916 Base-Backbone interact. energy: -0.018 local terms energy: -19.302216 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.626 flat angles P-C4'-P energy: -3.729 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: 2, replica: 4 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -28.032739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.032739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.032739 (E_RNA) where: Base-Base interactions energy: -9.841 where: short stacking energy: -9.841 Base-Backbone interact. energy: -0.000 local terms energy: -18.191090 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -3.150 flat angles P-C4'-P energy: -2.827 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: 3, replica: 8 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -21.032430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.032430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.032430 (E_RNA) where: Base-Base interactions energy: -4.038 where: short stacking energy: -4.038 Base-Backbone interact. energy: -0.034 local terms energy: -16.960587 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.746 flat angles P-C4'-P energy: -2.638 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: 4, replica: 9 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -26.256622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.256622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.256622 (E_RNA) where: Base-Base interactions energy: -10.725 where: short stacking energy: -10.725 Base-Backbone interact. energy: -0.000 local terms energy: -15.531662 where: bonds (distance) C4'-P energy: -3.044 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -3.007 flat angles P-C4'-P energy: -2.315 tors. eta vs tors. theta energy: -2.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -21.655369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.655369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.655369 (E_RNA) where: Base-Base interactions energy: -6.830 where: short stacking energy: -6.830 Base-Backbone interact. energy: -0.000 local terms energy: -14.825028 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -3.106 flat angles C4'-P-C4' energy: -4.275 flat angles P-C4'-P energy: -0.449 tors. eta vs tors. theta energy: -2.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -24.598296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.598296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.598296 (E_RNA) where: Base-Base interactions energy: -6.622 where: short stacking energy: -6.622 Base-Backbone interact. energy: -0.040 local terms energy: -17.936326 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.784 flat angles P-C4'-P energy: -2.592 tors. eta vs tors. theta energy: -2.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -20.049264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.049264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.049264 (E_RNA) where: Base-Base interactions energy: -4.283 where: short stacking energy: -4.283 Base-Backbone interact. energy: -0.005 local terms energy: -15.761735 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.712 flat angles P-C4'-P energy: 0.097 tors. eta vs tors. theta energy: -1.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -27.001082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.001082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.001082 (E_RNA) where: Base-Base interactions energy: -10.720 where: short stacking energy: -10.720 Base-Backbone interact. energy: -0.000 local terms energy: -16.281062 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -3.513 flat angles P-C4'-P energy: -0.672 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: 9, replica: 3 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -22.708447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.708447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.708447 (E_RNA) where: Base-Base interactions energy: -8.075 where: short stacking energy: -8.075 Base-Backbone interact. energy: -0.022 local terms energy: -14.611183 where: bonds (distance) C4'-P energy: -1.472 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.661 flat angles P-C4'-P energy: -3.479 tors. eta vs tors. theta energy: -0.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -21.304044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.304044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.304044 (E_RNA) where: Base-Base interactions energy: -5.141 where: short stacking energy: -5.141 Base-Backbone interact. energy: -0.081 local terms energy: -16.081620 where: bonds (distance) C4'-P energy: -3.567 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.497 flat angles P-C4'-P energy: -3.483 tors. eta vs tors. theta energy: -0.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -29.721460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.721460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.721460 (E_RNA) where: Base-Base interactions energy: -11.338 where: short stacking energy: -11.338 Base-Backbone interact. energy: -0.000 local terms energy: -18.383396 where: bonds (distance) C4'-P energy: -4.009 bonds (distance) P-C4' energy: -4.572 flat angles C4'-P-C4' energy: -4.349 flat angles P-C4'-P energy: -1.703 tors. eta vs tors. theta energy: -3.750 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: 8 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -25.700205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.700205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.700205 (E_RNA) where: Base-Base interactions energy: -4.512 where: short stacking energy: -4.859 Base-Backbone interact. energy: -0.000 local terms energy: -21.187930 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.644 flat angles P-C4'-P energy: -3.777 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: 3, replica: 4 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -31.002136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.002136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.002136 (E_RNA) where: Base-Base interactions energy: -10.733 where: short stacking energy: -10.733 Base-Backbone interact. energy: -0.000 local terms energy: -20.268669 where: bonds (distance) C4'-P energy: -2.494 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.291 flat angles P-C4'-P energy: -3.224 tors. eta vs tors. theta energy: -5.144 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: 233 Temperature: 1.050000 Total energy: -29.902364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.902364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.902364 (E_RNA) where: Base-Base interactions energy: -10.673 where: short stacking energy: -10.673 Base-Backbone interact. energy: -0.002 local terms energy: -19.228088 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -4.575 flat angles C4'-P-C4' energy: -4.869 flat angles P-C4'-P energy: -3.008 tors. eta vs tors. theta energy: -3.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -22.366339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.366339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.366339 (E_RNA) where: Base-Base interactions energy: -7.110 where: short stacking energy: -7.110 Base-Backbone interact. energy: -0.000 local terms energy: -15.256339 where: bonds (distance) C4'-P energy: -2.751 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.279 flat angles P-C4'-P energy: -2.987 tors. eta vs tors. theta energy: -0.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -22.428657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.428657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.428657 (E_RNA) where: Base-Base interactions energy: -4.896 where: short stacking energy: -4.896 Base-Backbone interact. energy: -0.000 local terms energy: -17.532600 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -2.845 flat angles P-C4'-P energy: -3.746 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: 7, replica: 1 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -25.410169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.410169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.410169 (E_RNA) where: Base-Base interactions energy: -7.225 where: short stacking energy: -7.225 Base-Backbone interact. energy: -0.063 local terms energy: -18.121901 where: bonds (distance) C4'-P energy: -3.045 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.237 flat angles P-C4'-P energy: -3.354 tors. eta vs tors. theta energy: -2.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -23.471015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.471015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.471015 (E_RNA) where: Base-Base interactions energy: -4.963 where: short stacking energy: -4.963 Base-Backbone interact. energy: -0.079 local terms energy: -18.428521 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.974 flat angles P-C4'-P energy: -1.868 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: 9, replica: 3 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -20.745406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.745406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.745406 (E_RNA) where: Base-Base interactions energy: -4.461 where: short stacking energy: -4.461 Base-Backbone interact. energy: -0.000 local terms energy: -16.284815 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.271 flat angles P-C4'-P energy: -2.352 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: 10, replica: 5 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -23.254053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.254053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.254053 (E_RNA) where: Base-Base interactions energy: -6.272 where: short stacking energy: -6.272 Base-Backbone interact. energy: -0.000 local terms energy: -16.982076 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -3.886 flat angles P-C4'-P energy: -1.301 tors. eta vs tors. theta energy: -2.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -32.359547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.359547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.359547 (E_RNA) where: Base-Base interactions energy: -11.665 where: short stacking energy: -11.665 Base-Backbone interact. energy: -0.000 local terms energy: -20.693972 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -2.805 flat angles P-C4'-P energy: -3.624 tors. eta vs tors. theta energy: -4.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -29.032637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.032637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.032637 (E_RNA) where: Base-Base interactions energy: -12.038 where: short stacking energy: -12.038 Base-Backbone interact. energy: -0.000 local terms energy: -16.994446 where: bonds (distance) C4'-P energy: -2.201 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -3.712 flat angles P-C4'-P energy: -3.395 tors. eta vs tors. theta energy: -2.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -22.566588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.566588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.566588 (E_RNA) where: Base-Base interactions energy: -6.157 where: short stacking energy: -6.157 Base-Backbone interact. energy: -0.069 local terms energy: -16.341543 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -3.631 flat angles C4'-P-C4' energy: -4.257 flat angles P-C4'-P energy: -3.187 tors. eta vs tors. theta energy: -1.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -21.429700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.429700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.429700 (E_RNA) where: Base-Base interactions energy: -7.728 where: short stacking energy: -7.728 Base-Backbone interact. energy: -0.003 local terms energy: -13.698678 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -1.758 flat angles P-C4'-P energy: -2.633 tors. eta vs tors. theta energy: -0.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -27.483260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.483260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.483260 (E_RNA) where: Base-Base interactions energy: -9.556 where: short stacking energy: -9.556 Base-Backbone interact. energy: -0.000 local terms energy: -17.927434 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -2.032 flat angles P-C4'-P energy: -3.173 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: 9 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -26.726473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.726473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.726473 (E_RNA) where: Base-Base interactions energy: -8.702 where: short stacking energy: -8.702 Base-Backbone interact. energy: -0.000 local terms energy: -18.024609 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.975 flat angles P-C4'-P energy: -1.436 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: 7, replica: 10 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -23.511759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.511759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.511759 (E_RNA) where: Base-Base interactions energy: -6.490 where: short stacking energy: -6.490 Base-Backbone interact. energy: -0.011 local terms energy: -17.010179 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -2.895 flat angles C4'-P-C4' energy: -2.602 flat angles P-C4'-P energy: -4.013 tors. eta vs tors. theta energy: -3.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -22.151728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.151728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.151728 (E_RNA) where: Base-Base interactions energy: -7.581 where: short stacking energy: -7.581 Base-Backbone interact. energy: -0.001 local terms energy: -14.569857 where: bonds (distance) C4'-P energy: -4.171 bonds (distance) P-C4' energy: -3.131 flat angles C4'-P-C4' energy: -2.502 flat angles P-C4'-P energy: -3.193 tors. eta vs tors. theta energy: -1.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -21.502595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.502595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.502595 (E_RNA) where: Base-Base interactions energy: -6.617 where: short stacking energy: -6.617 Base-Backbone interact. energy: -0.000 local terms energy: -14.885891 where: bonds (distance) C4'-P energy: -2.928 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.255 flat angles P-C4'-P energy: -2.960 tors. eta vs tors. theta energy: -0.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -26.371922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.371922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.371922 (E_RNA) where: Base-Base interactions energy: -9.069 where: short stacking energy: -9.069 Base-Backbone interact. energy: -0.000 local terms energy: -17.303229 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.182 flat angles P-C4'-P energy: -1.405 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: 1, replica: 8 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -28.912328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.912328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.912328 (E_RNA) where: Base-Base interactions energy: -11.962 where: short stacking energy: -11.962 Base-Backbone interact. energy: -0.000 local terms energy: -16.949902 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -3.746 flat angles P-C4'-P energy: -3.796 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: 6 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -26.350545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.350545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.350545 (E_RNA) where: Base-Base interactions energy: -8.643 where: short stacking energy: -8.643 Base-Backbone interact. energy: -0.002 local terms energy: -17.705192 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.801 flat angles P-C4'-P energy: -3.663 tors. eta vs tors. theta energy: -0.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -29.384211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.384211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.384211 (E_RNA) where: Base-Base interactions energy: -11.993 where: short stacking energy: -11.993 Base-Backbone interact. energy: -0.000 local terms energy: -17.391666 where: bonds (distance) C4'-P energy: -3.045 bonds (distance) P-C4' energy: -4.106 flat angles C4'-P-C4' energy: -4.801 flat angles P-C4'-P energy: -2.753 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: 4, replica: 2 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -23.150822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.150822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.150822 (E_RNA) where: Base-Base interactions energy: -9.483 where: short stacking energy: -9.483 Base-Backbone interact. energy: 0.018 local terms energy: -13.685258 where: bonds (distance) C4'-P energy: -1.400 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -3.198 flat angles P-C4'-P energy: -1.235 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: 5, replica: 4 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -20.673971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.673971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.673971 (E_RNA) where: Base-Base interactions energy: -4.230 where: short stacking energy: -4.230 Base-Backbone interact. energy: -0.000 local terms energy: -16.443521 where: bonds (distance) C4'-P energy: -2.859 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.036 flat angles P-C4'-P energy: -4.117 tors. eta vs tors. theta energy: -0.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -22.517104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.517104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.517104 (E_RNA) where: Base-Base interactions energy: -8.329 where: short stacking energy: -8.329 Base-Backbone interact. energy: 0.571 local terms energy: -14.759091 where: bonds (distance) C4'-P energy: -2.908 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -3.908 flat angles P-C4'-P energy: -3.494 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: 9 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -23.225836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.225836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.225836 (E_RNA) where: Base-Base interactions energy: -6.176 where: short stacking energy: -6.176 Base-Backbone interact. energy: -1.052 local terms energy: -15.997258 where: bonds (distance) C4'-P energy: -3.053 bonds (distance) P-C4' energy: -3.723 flat angles C4'-P-C4' energy: -4.183 flat angles P-C4'-P energy: -3.338 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: 8, replica: 5 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -24.928323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.928323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.928323 (E_RNA) where: Base-Base interactions energy: -7.090 where: short stacking energy: -7.090 Base-Backbone interact. energy: -0.000 local terms energy: -17.837894 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -3.270 flat angles P-C4'-P energy: -3.568 tors. eta vs tors. theta energy: -1.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -21.622057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.622057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.622057 (E_RNA) where: Base-Base interactions energy: -4.764 where: short stacking energy: -4.764 Base-Backbone interact. energy: -0.001 local terms energy: -16.857411 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.676 flat angles P-C4'-P energy: -2.751 tors. eta vs tors. theta energy: -0.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -18.961754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.961754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.961754 (E_RNA) where: Base-Base interactions energy: -3.690 where: short stacking energy: -3.690 Base-Backbone interact. energy: -0.000 local terms energy: -15.272053 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -1.463 flat angles C4'-P-C4' energy: -2.898 flat angles P-C4'-P energy: -2.292 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: 1, replica: 6 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -26.455249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.455249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.455249 (E_RNA) where: Base-Base interactions energy: -10.244 where: short stacking energy: -10.244 Base-Backbone interact. energy: -0.000 local terms energy: -16.211691 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -2.358 flat angles P-C4'-P energy: -2.011 tors. eta vs tors. theta energy: -2.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -29.916400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.916400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.916400 (E_RNA) where: Base-Base interactions energy: -11.710 where: short stacking energy: -11.710 Base-Backbone interact. energy: -0.000 local terms energy: -18.206736 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.745 flat angles P-C4'-P energy: -1.227 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: 2 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -25.482445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.482445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.482445 (E_RNA) where: Base-Base interactions energy: -9.476 where: short stacking energy: -9.476 Base-Backbone interact. energy: -0.000 local terms energy: -16.006348 where: bonds (distance) C4'-P energy: -2.179 bonds (distance) P-C4' energy: -4.631 flat angles C4'-P-C4' energy: -3.690 flat angles P-C4'-P energy: -4.053 tors. eta vs tors. theta energy: -1.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -25.991618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.991618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.991618 (E_RNA) where: Base-Base interactions energy: -8.605 where: short stacking energy: -8.605 Base-Backbone interact. energy: -0.000 local terms energy: -17.386281 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -3.779 flat angles P-C4'-P energy: -3.625 tors. eta vs tors. theta energy: -0.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -23.677148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.677148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.677148 (E_RNA) where: Base-Base interactions energy: -6.604 where: short stacking energy: -6.604 Base-Backbone interact. energy: -0.012 local terms energy: -17.061430 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -3.212 flat angles P-C4'-P energy: -3.243 tors. eta vs tors. theta energy: -1.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -23.177171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.177171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.177171 (E_RNA) where: Base-Base interactions energy: -5.399 where: short stacking energy: -5.399 Base-Backbone interact. energy: -0.000 local terms energy: -17.778542 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.403 flat angles P-C4'-P energy: -3.149 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: 5 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -26.189745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.189745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.189745 (E_RNA) where: Base-Base interactions energy: -10.969 where: short stacking energy: -10.969 Base-Backbone interact. energy: -0.032 local terms energy: -15.188205 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -1.796 flat angles C4'-P-C4' energy: -3.710 flat angles P-C4'-P energy: -3.775 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: 8, replica: 9 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -22.689437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.689437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.689437 (E_RNA) where: Base-Base interactions energy: -6.170 where: short stacking energy: -6.170 Base-Backbone interact. energy: 1.419 local terms energy: -17.938424 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.335 flat angles P-C4'-P energy: -2.811 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: 9, replica: 3 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -24.017397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.017397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.017397 (E_RNA) where: Base-Base interactions energy: -7.761 where: short stacking energy: -7.761 Base-Backbone interact. energy: -0.000 local terms energy: -16.256710 where: bonds (distance) C4'-P energy: -2.751 bonds (distance) P-C4' energy: -3.984 flat angles C4'-P-C4' energy: -3.606 flat angles P-C4'-P energy: -3.625 tors. eta vs tors. theta energy: -2.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -18.595053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.595053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.595053 (E_RNA) where: Base-Base interactions energy: -3.442 where: short stacking energy: -3.442 Base-Backbone interact. energy: -0.000 local terms energy: -15.152752 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -3.778 flat angles P-C4'-P energy: -0.972 tors. eta vs tors. theta energy: -2.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -26.185932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.185932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.185932 (E_RNA) where: Base-Base interactions energy: -10.852 where: short stacking energy: -11.043 Base-Backbone interact. energy: -0.028 local terms energy: -15.305287 where: bonds (distance) C4'-P energy: -2.804 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.642 flat angles P-C4'-P energy: -3.899 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: 2, replica: 2 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -27.168200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.168200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.168200 (E_RNA) where: Base-Base interactions energy: -11.167 where: short stacking energy: -11.167 Base-Backbone interact. energy: 0.258 local terms energy: -16.258566 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.928 flat angles P-C4'-P energy: -0.729 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: 3, replica: 8 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -25.758334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.758334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.758334 (E_RNA) where: Base-Base interactions energy: -8.104 where: short stacking energy: -8.104 Base-Backbone interact. energy: -0.048 local terms energy: -17.606375 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.177 flat angles P-C4'-P energy: -2.953 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: 4, replica: 10 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -23.256575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.256575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.256575 (E_RNA) where: Base-Base interactions energy: -5.427 where: short stacking energy: -5.427 Base-Backbone interact. energy: -0.000 local terms energy: -17.828773 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -4.506 flat angles P-C4'-P energy: -3.170 tors. eta vs tors. theta energy: -2.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -23.280842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.280842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.280842 (E_RNA) where: Base-Base interactions energy: -8.011 where: short stacking energy: -8.011 Base-Backbone interact. energy: -0.000 local terms energy: -15.269428 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -3.748 flat angles C4'-P-C4' energy: -4.294 flat angles P-C4'-P energy: -3.283 tors. eta vs tors. theta energy: -0.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -28.279597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.279597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.279597 (E_RNA) where: Base-Base interactions energy: -9.763 where: short stacking energy: -9.763 Base-Backbone interact. energy: -0.044 local terms energy: -18.471749 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.004 flat angles P-C4'-P energy: -2.882 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: 7, replica: 4 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -21.925749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.925749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.925749 (E_RNA) where: Base-Base interactions energy: -5.921 where: short stacking energy: -5.921 Base-Backbone interact. energy: -0.008 local terms energy: -15.996749 where: bonds (distance) C4'-P energy: -2.970 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -3.486 flat angles P-C4'-P energy: -1.773 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: 8, replica: 3 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -22.825707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.825707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.825707 (E_RNA) where: Base-Base interactions energy: -6.570 where: short stacking energy: -6.570 Base-Backbone interact. energy: 1.199 local terms energy: -17.454229 where: bonds (distance) C4'-P energy: -2.503 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -3.748 flat angles P-C4'-P energy: -3.928 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: 9, replica: 9 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -20.301257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.301257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.301257 (E_RNA) where: Base-Base interactions energy: -4.199 where: short stacking energy: -4.199 Base-Backbone interact. energy: -0.137 local terms energy: -15.965595 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.395 flat angles P-C4'-P energy: -2.439 tors. eta vs tors. theta energy: -0.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -18.632170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.632170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.632170 (E_RNA) where: Base-Base interactions energy: -2.241 where: short stacking energy: -2.241 Base-Backbone interact. energy: -0.038 local terms energy: -16.353770 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -2.649 flat angles C4'-P-C4' energy: -4.716 flat angles P-C4'-P energy: -3.092 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: 1, replica: 2 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -29.237410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.237410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.237410 (E_RNA) where: Base-Base interactions energy: -11.687 where: short stacking energy: -11.687 Base-Backbone interact. energy: -0.000 local terms energy: -17.550903 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -3.019 flat angles P-C4'-P energy: -2.074 tors. eta vs tors. theta energy: -3.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -27.537177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.537177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.537177 (E_RNA) where: Base-Base interactions energy: -8.428 where: short stacking energy: -8.428 Base-Backbone interact. energy: -0.054 local terms energy: -19.055296 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -3.268 flat angles P-C4'-P energy: -3.378 tors. eta vs tors. theta energy: -3.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -30.434532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.434532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.434532 (E_RNA) where: Base-Base interactions energy: -10.260 where: short stacking energy: -10.260 Base-Backbone interact. energy: -0.000 local terms energy: -20.174488 where: bonds (distance) C4'-P energy: -4.643 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.855 flat angles P-C4'-P energy: -1.840 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: 4, replica: 10 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -26.251780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.251780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.251780 (E_RNA) where: Base-Base interactions energy: -9.150 where: short stacking energy: -9.150 Base-Backbone interact. energy: -0.000 local terms energy: -17.101849 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.797 flat angles P-C4'-P energy: -3.123 tors. eta vs tors. theta energy: -0.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -27.222102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.222102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.222102 (E_RNA) where: Base-Base interactions energy: -12.000 where: short stacking energy: -12.000 Base-Backbone interact. energy: -0.000 local terms energy: -15.221519 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.713 flat angles P-C4'-P energy: -0.866 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: 7 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -22.092924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.092924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.092924 (E_RNA) where: Base-Base interactions energy: -6.872 where: short stacking energy: -7.463 Base-Backbone interact. energy: -0.065 local terms energy: -15.155813 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.152 flat angles C4'-P-C4' energy: -4.820 flat angles P-C4'-P energy: -2.627 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: 7, replica: 3 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -25.135326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.135326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.135326 (E_RNA) where: Base-Base interactions energy: -7.858 where: short stacking energy: -7.858 Base-Backbone interact. energy: -0.000 local terms energy: -17.277360 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.312 flat angles P-C4'-P energy: -3.632 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: 4 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -26.551047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.551047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.551047 (E_RNA) where: Base-Base interactions energy: -8.764 where: short stacking energy: -8.764 Base-Backbone interact. energy: -0.000 local terms energy: -17.787127 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -3.960 flat angles P-C4'-P energy: -3.892 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: 1 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -24.658762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.658762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.658762 (E_RNA) where: Base-Base interactions energy: -7.322 where: short stacking energy: -7.322 Base-Backbone interact. energy: -0.000 local terms energy: -17.336478 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -1.214 flat angles P-C4'-P energy: -3.731 tors. eta vs tors. theta energy: -3.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -22.523989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.523989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.523989 (E_RNA) where: Base-Base interactions energy: -4.445 where: short stacking energy: -4.445 Base-Backbone interact. energy: 0.266 local terms energy: -18.344503 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.647 flat angles P-C4'-P energy: -1.415 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: 1, replica: 2 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -24.697684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.697684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.697684 (E_RNA) where: Base-Base interactions energy: -7.328 where: short stacking energy: -7.328 Base-Backbone interact. energy: -0.080 local terms energy: -17.289847 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.576 flat angles P-C4'-P energy: -3.094 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: 2, replica: 8 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -22.328116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.328116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.328116 (E_RNA) where: Base-Base interactions energy: -8.337 where: short stacking energy: -8.337 Base-Backbone interact. energy: -0.000 local terms energy: -13.990971 where: bonds (distance) C4'-P energy: -3.140 bonds (distance) P-C4' energy: -3.793 flat angles C4'-P-C4' energy: -3.124 flat angles P-C4'-P energy: -2.186 tors. eta vs tors. theta energy: -1.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -25.307375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.307375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.307375 (E_RNA) where: Base-Base interactions energy: -7.478 where: short stacking energy: -7.478 Base-Backbone interact. energy: -0.000 local terms energy: -17.829369 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -3.490 flat angles C4'-P-C4' energy: -3.959 flat angles P-C4'-P energy: -3.218 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: 239 Temperature: 1.050000 Total energy: -29.164319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.164319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.164319 (E_RNA) where: Base-Base interactions energy: -11.584 where: short stacking energy: -11.584 Base-Backbone interact. energy: -0.000 local terms energy: -17.580027 where: bonds (distance) C4'-P energy: -2.867 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.311 flat angles P-C4'-P energy: -2.051 tors. eta vs tors. theta energy: -3.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -23.734027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.734027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.734027 (E_RNA) where: Base-Base interactions energy: -6.833 where: short stacking energy: -6.833 Base-Backbone interact. energy: -0.000 local terms energy: -16.901414 where: bonds (distance) C4'-P energy: -3.190 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.739 flat angles P-C4'-P energy: -3.295 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: 6, replica: 3 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -24.211439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.211439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.211439 (E_RNA) where: Base-Base interactions energy: -6.190 where: short stacking energy: -6.190 Base-Backbone interact. energy: -0.012 local terms energy: -18.009359 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.248 flat angles P-C4'-P energy: -3.070 tors. eta vs tors. theta energy: -1.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -24.902816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.902816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.902816 (E_RNA) where: Base-Base interactions energy: -9.689 where: short stacking energy: -9.689 Base-Backbone interact. energy: -0.001 local terms energy: -15.212818 where: bonds (distance) C4'-P energy: -1.173 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.169 flat angles P-C4'-P energy: -3.510 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: 8, replica: 1 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -22.381354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.381354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.381354 (E_RNA) where: Base-Base interactions energy: -7.226 where: short stacking energy: -7.226 Base-Backbone interact. energy: -0.002 local terms energy: -15.154284 where: bonds (distance) C4'-P energy: -2.859 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.799 flat angles P-C4'-P energy: -1.789 tors. eta vs tors. theta energy: -0.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -24.959213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.959213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.959213 (E_RNA) where: Base-Base interactions energy: -9.692 where: short stacking energy: -9.692 Base-Backbone interact. energy: -0.000 local terms energy: -15.267360 where: bonds (distance) C4'-P energy: -1.712 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -3.072 flat angles P-C4'-P energy: -2.617 tors. eta vs tors. theta energy: -3.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -24.914273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.914273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.914273 (E_RNA) where: Base-Base interactions energy: -9.124 where: short stacking energy: -9.124 Base-Backbone interact. energy: -0.000 local terms energy: -15.789752 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.366 flat angles P-C4'-P energy: -1.525 tors. eta vs tors. theta energy: -0.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -30.318854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.318854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.318854 (E_RNA) where: Base-Base interactions energy: -11.708 where: short stacking energy: -11.708 Base-Backbone interact. energy: -0.037 local terms energy: -18.574372 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -3.919 flat angles C4'-P-C4' energy: -4.536 flat angles P-C4'-P energy: -3.644 tors. eta vs tors. theta energy: -2.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -28.658924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.658924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.658924 (E_RNA) where: Base-Base interactions energy: -10.036 where: short stacking energy: -10.036 Base-Backbone interact. energy: -0.000 local terms energy: -18.622553 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.394 flat angles P-C4'-P energy: -2.939 tors. eta vs tors. theta energy: -2.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -31.745910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.745910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.745910 (E_RNA) where: Base-Base interactions energy: -10.718 where: short stacking energy: -10.718 Base-Backbone interact. energy: -0.000 local terms energy: -21.027462 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -2.878 flat angles P-C4'-P energy: -4.043 tors. eta vs tors. theta energy: -5.114 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: 6 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -23.459839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.459839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.459839 (E_RNA) where: Base-Base interactions energy: -7.240 where: short stacking energy: -7.240 Base-Backbone interact. energy: -0.000 local terms energy: -16.220240 where: bonds (distance) C4'-P energy: -2.564 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -4.253 flat angles P-C4'-P energy: -3.637 tors. eta vs tors. theta energy: -1.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -24.019712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.019712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.019712 (E_RNA) where: Base-Base interactions energy: -7.811 where: short stacking energy: -7.811 Base-Backbone interact. energy: -0.001 local terms energy: -16.207974 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.883 flat angles P-C4'-P energy: -2.790 tors. eta vs tors. theta energy: -0.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -23.469428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.469428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.469428 (E_RNA) where: Base-Base interactions energy: -5.376 where: short stacking energy: -5.376 Base-Backbone interact. energy: -0.000 local terms energy: -18.093303 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.525 flat angles P-C4'-P energy: -2.125 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: 7, replica: 1 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -21.833212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.833212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.833212 (E_RNA) where: Base-Base interactions energy: -3.929 where: short stacking energy: -3.929 Base-Backbone interact. energy: -0.000 local terms energy: -17.903768 where: bonds (distance) C4'-P energy: -3.334 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -4.234 flat angles P-C4'-P energy: -3.644 tors. eta vs tors. theta energy: -2.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -23.948947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.948947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.948947 (E_RNA) where: Base-Base interactions energy: -5.477 where: short stacking energy: -5.477 Base-Backbone interact. energy: -0.000 local terms energy: -18.472182 where: bonds (distance) C4'-P energy: -3.008 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.979 flat angles P-C4'-P energy: -3.921 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: 9, replica: 9 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -18.758139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.758139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.758139 (E_RNA) where: Base-Base interactions energy: -3.309 where: short stacking energy: -3.309 Base-Backbone interact. energy: -0.061 local terms energy: -15.387777 where: bonds (distance) C4'-P energy: -2.751 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.276 flat angles P-C4'-P energy: -3.434 tors. eta vs tors. theta energy: 0.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -19.869028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.869028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.869028 (E_RNA) where: Base-Base interactions energy: -3.220 where: short stacking energy: -3.220 Base-Backbone interact. energy: -0.101 local terms energy: -16.547933 where: bonds (distance) C4'-P energy: -3.450 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.409 flat angles P-C4'-P energy: -3.505 tors. eta vs tors. theta energy: -0.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -29.836274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.836274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.836274 (E_RNA) where: Base-Base interactions energy: -11.951 where: short stacking energy: -11.951 Base-Backbone interact. energy: -0.000 local terms energy: -17.885133 where: bonds (distance) C4'-P energy: -3.683 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.991 flat angles P-C4'-P energy: -2.905 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: 5 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -31.149422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.149422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.149422 (E_RNA) where: Base-Base interactions energy: -12.082 where: short stacking energy: -12.082 Base-Backbone interact. energy: -0.000 local terms energy: -19.067288 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.156 flat angles C4'-P-C4' energy: -4.694 flat angles P-C4'-P energy: -3.044 tors. eta vs tors. theta energy: -2.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -23.274124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.274124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.274124 (E_RNA) where: Base-Base interactions energy: -5.469 where: short stacking energy: -5.469 Base-Backbone interact. energy: -0.084 local terms energy: -17.721176 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.290 flat angles P-C4'-P energy: -3.186 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: 4, replica: 3 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -25.887495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.887495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.887495 (E_RNA) where: Base-Base interactions energy: -9.262 where: short stacking energy: -9.262 Base-Backbone interact. energy: -0.000 local terms energy: -16.625787 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.853 flat angles P-C4'-P energy: -3.391 tors. eta vs tors. theta energy: 0.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -24.167902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.167902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.167902 (E_RNA) where: Base-Base interactions energy: -6.756 where: short stacking energy: -6.756 Base-Backbone interact. energy: -0.000 local terms energy: -17.412152 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.113 flat angles P-C4'-P energy: -1.481 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: 1 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -25.876767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.876767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.876767 (E_RNA) where: Base-Base interactions energy: -8.192 where: short stacking energy: -8.192 Base-Backbone interact. energy: -0.030 local terms energy: -17.654456 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -2.839 flat angles P-C4'-P energy: -2.916 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: 7, replica: 10 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -26.697391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.697391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.697391 (E_RNA) where: Base-Base interactions energy: -8.306 where: short stacking energy: -8.306 Base-Backbone interact. energy: -0.101 local terms energy: -18.290256 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.498 flat angles P-C4'-P energy: -2.803 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: 8, replica: 9 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -20.579929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.579929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.579929 (E_RNA) where: Base-Base interactions energy: -4.225 where: short stacking energy: -4.225 Base-Backbone interact. energy: -0.003 local terms energy: -16.351868 where: bonds (distance) C4'-P energy: -3.637 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.852 flat angles P-C4'-P energy: -2.224 tors. eta vs tors. theta energy: -1.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -21.369825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.369825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.369825 (E_RNA) where: Base-Base interactions energy: -5.336 where: short stacking energy: -5.336 Base-Backbone interact. energy: -0.000 local terms energy: -16.033551 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.906 flat angles P-C4'-P energy: -1.438 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: 4 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -21.808216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.808216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.808216 (E_RNA) where: Base-Base interactions energy: -7.176 where: short stacking energy: -7.176 Base-Backbone interact. energy: -0.006 local terms energy: -14.626335 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -3.571 flat angles P-C4'-P energy: -2.025 tors. eta vs tors. theta energy: -0.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -30.396328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.396328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.396328 (E_RNA) where: Base-Base interactions energy: -11.207 where: short stacking energy: -11.207 Base-Backbone interact. energy: -0.000 local terms energy: -19.188901 where: bonds (distance) C4'-P energy: -4.270 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.061 flat angles P-C4'-P energy: -2.683 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: 2, replica: 8 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -27.330750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.330750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.330750 (E_RNA) where: Base-Base interactions energy: -8.232 where: short stacking energy: -8.232 Base-Backbone interact. energy: -0.000 local terms energy: -19.098238 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.662 flat angles P-C4'-P energy: -3.326 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: 3, replica: 3 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -25.467576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.467576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.467576 (E_RNA) where: Base-Base interactions energy: -6.673 where: short stacking energy: -6.673 Base-Backbone interact. energy: -0.000 local terms energy: -18.794641 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.498 flat angles P-C4'-P energy: -2.140 tors. eta vs tors. theta energy: -3.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -26.708668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.708668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.708668 (E_RNA) where: Base-Base interactions energy: -6.993 where: short stacking energy: -6.993 Base-Backbone interact. energy: -0.000 local terms energy: -19.715632 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -4.103 flat angles C4'-P-C4' energy: -4.510 flat angles P-C4'-P energy: -3.766 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: 5, replica: 1 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -22.292246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.292246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.292246 (E_RNA) where: Base-Base interactions energy: -5.841 where: short stacking energy: -5.841 Base-Backbone interact. energy: -0.000 local terms energy: -16.451520 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -4.549 flat angles P-C4'-P energy: -2.102 tors. eta vs tors. theta energy: -1.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -21.784957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.784957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.784957 (E_RNA) where: Base-Base interactions energy: -5.733 where: short stacking energy: -5.733 Base-Backbone interact. energy: -0.000 local terms energy: -16.051644 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -4.318 flat angles C4'-P-C4' energy: -3.213 flat angles P-C4'-P energy: -3.425 tors. eta vs tors. theta energy: -0.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -21.842677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.842677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.842677 (E_RNA) where: Base-Base interactions energy: -6.845 where: short stacking energy: -6.845 Base-Backbone interact. energy: -0.012 local terms energy: -14.985345 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.992 flat angles P-C4'-P energy: -3.474 tors. eta vs tors. theta energy: 1.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -22.675630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.675630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.675630 (E_RNA) where: Base-Base interactions energy: -5.988 where: short stacking energy: -5.988 Base-Backbone interact. energy: -0.000 local terms energy: -16.687620 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -3.591 flat angles P-C4'-P energy: -2.904 tors. eta vs tors. theta energy: -1.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -21.062733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.062733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.062733 (E_RNA) where: Base-Base interactions energy: -5.491 where: short stacking energy: -5.491 Base-Backbone interact. energy: -0.000 local terms energy: -15.571952 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.852 flat angles P-C4'-P energy: -3.073 tors. eta vs tors. theta energy: 0.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -21.610986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.610986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.610986 (E_RNA) where: Base-Base interactions energy: -7.080 where: short stacking energy: -7.080 Base-Backbone interact. energy: -0.000 local terms energy: -14.530475 where: bonds (distance) C4'-P energy: -2.626 bonds (distance) P-C4' energy: -3.321 flat angles C4'-P-C4' energy: -2.409 flat angles P-C4'-P energy: -2.845 tors. eta vs tors. theta energy: -3.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -30.160851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.160851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.160851 (E_RNA) where: Base-Base interactions energy: -12.555 where: short stacking energy: -12.555 Base-Backbone interact. energy: -0.000 local terms energy: -17.605427 where: bonds (distance) C4'-P energy: -2.680 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -4.272 flat angles P-C4'-P energy: -3.376 tors. eta vs tors. theta energy: -2.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -31.685134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.685134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.685134 (E_RNA) where: Base-Base interactions energy: -11.492 where: short stacking energy: -11.492 Base-Backbone interact. energy: -0.000 local terms energy: -20.192726 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.697 flat angles P-C4'-P energy: -3.207 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: 8 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -26.818382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.818382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.818382 (E_RNA) where: Base-Base interactions energy: -9.161 where: short stacking energy: -9.161 Base-Backbone interact. energy: -0.000 local terms energy: -17.657620 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.783 flat angles P-C4'-P energy: -1.923 tors. eta vs tors. theta energy: -3.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -27.120706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.120706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.120706 (E_RNA) where: Base-Base interactions energy: -10.390 where: short stacking energy: -10.390 Base-Backbone interact. energy: -0.000 local terms energy: -16.730590 where: bonds (distance) C4'-P energy: -1.852 bonds (distance) P-C4' energy: -3.944 flat angles C4'-P-C4' energy: -4.623 flat angles P-C4'-P energy: -3.006 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: 5, replica: 2 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -27.634377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.634377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.634377 (E_RNA) where: Base-Base interactions energy: -9.479 where: short stacking energy: -9.479 Base-Backbone interact. energy: -0.000 local terms energy: -18.155128 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -4.506 flat angles P-C4'-P energy: -2.889 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: 6, replica: 9 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -26.705574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.705574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.705574 (E_RNA) where: Base-Base interactions energy: -6.717 where: short stacking energy: -6.717 Base-Backbone interact. energy: -0.002 local terms energy: -19.987102 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.210 flat angles P-C4'-P energy: -3.939 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: 7, replica: 6 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -19.043456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.043456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.043456 (E_RNA) where: Base-Base interactions energy: -4.396 where: short stacking energy: -4.396 Base-Backbone interact. energy: -0.000 local terms energy: -14.647643 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -2.472 flat angles P-C4'-P energy: -1.873 tors. eta vs tors. theta energy: -1.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -21.427637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.427637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.427637 (E_RNA) where: Base-Base interactions energy: -3.715 where: short stacking energy: -3.715 Base-Backbone interact. energy: -0.000 local terms energy: -17.712827 where: bonds (distance) C4'-P energy: -3.637 bonds (distance) P-C4' energy: -3.631 flat angles C4'-P-C4' energy: -4.325 flat angles P-C4'-P energy: -2.821 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: 9, replica: 10 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -19.434316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.434316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.434316 (E_RNA) where: Base-Base interactions energy: -7.126 where: short stacking energy: -7.126 Base-Backbone interact. energy: -0.015 local terms energy: -12.293818 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -2.680 flat angles C4'-P-C4' energy: -3.828 flat angles P-C4'-P energy: -2.001 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: 10, replica: 7 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -20.298728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.298728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.298728 (E_RNA) where: Base-Base interactions energy: -5.695 where: short stacking energy: -5.695 Base-Backbone interact. energy: -0.000 local terms energy: -14.603330 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -2.511 flat angles C4'-P-C4' energy: -3.326 flat angles P-C4'-P energy: -2.801 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: 1, replica: 3 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -29.403379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.403379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.403379 (E_RNA) where: Base-Base interactions energy: -12.004 where: short stacking energy: -12.004 Base-Backbone interact. energy: -0.001 local terms energy: -17.398196 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -3.794 flat angles P-C4'-P energy: -2.796 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: 2, replica: 5 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -29.604417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.604417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.604417 (E_RNA) where: Base-Base interactions energy: -10.622 where: short stacking energy: -10.622 Base-Backbone interact. energy: -0.001 local terms energy: -18.981411 where: bonds (distance) C4'-P energy: -3.761 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.385 flat angles P-C4'-P energy: -3.428 tors. eta vs tors. theta energy: -3.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -25.756514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.756514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.756514 (E_RNA) where: Base-Base interactions energy: -7.793 where: short stacking energy: -7.793 Base-Backbone interact. energy: -0.000 local terms energy: -17.963341 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.466 flat angles P-C4'-P energy: -2.568 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: 4, replica: 8 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -30.576589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.576589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.576589 (E_RNA) where: Base-Base interactions energy: -11.046 where: short stacking energy: -11.046 Base-Backbone interact. energy: -0.001 local terms energy: -19.529428 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.271 flat angles P-C4'-P energy: -2.627 tors. eta vs tors. theta energy: -2.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -24.919796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.919796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.919796 (E_RNA) where: Base-Base interactions energy: -6.184 where: short stacking energy: -6.184 Base-Backbone interact. energy: -0.000 local terms energy: -18.735857 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -3.524 flat angles P-C4'-P energy: -3.314 tors. eta vs tors. theta energy: -2.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -24.784925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.784925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.784925 (E_RNA) where: Base-Base interactions energy: -7.258 where: short stacking energy: -7.258 Base-Backbone interact. energy: -0.850 local terms energy: -16.677153 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.219 flat angles P-C4'-P energy: -3.374 tors. eta vs tors. theta energy: -1.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -24.531026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.531026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.531026 (E_RNA) where: Base-Base interactions energy: -7.497 where: short stacking energy: -7.497 Base-Backbone interact. energy: -0.001 local terms energy: -17.033152 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -3.532 flat angles C4'-P-C4' energy: -3.813 flat angles P-C4'-P energy: -2.568 tors. eta vs tors. theta energy: -2.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -22.624143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.624143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.624143 (E_RNA) where: Base-Base interactions energy: -6.812 where: short stacking energy: -6.812 Base-Backbone interact. energy: -0.021 local terms energy: -15.791302 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -3.268 flat angles C4'-P-C4' energy: -4.257 flat angles P-C4'-P energy: -3.100 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: 9, replica: 7 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -24.872500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.872500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.872500 (E_RNA) where: Base-Base interactions energy: -6.457 where: short stacking energy: -6.791 Base-Backbone interact. energy: -0.055 local terms energy: -18.360121 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -4.392 flat angles C4'-P-C4' energy: -4.839 flat angles P-C4'-P energy: -3.298 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: 10 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -22.749383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.749383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.749383 (E_RNA) where: Base-Base interactions energy: -4.613 where: short stacking energy: -4.613 Base-Backbone interact. energy: -0.000 local terms energy: -18.135844 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -3.818 flat angles C4'-P-C4' energy: -4.097 flat angles P-C4'-P energy: -3.909 tors. eta vs tors. theta energy: -1.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -32.222097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.222097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.222097 (E_RNA) where: Base-Base interactions energy: -12.660 where: short stacking energy: -12.660 Base-Backbone interact. energy: -0.000 local terms energy: -19.562099 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.723 flat angles C4'-P-C4' energy: -2.920 flat angles P-C4'-P energy: -3.957 tors. eta vs tors. theta energy: -4.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -25.822627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.822627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.822627 (E_RNA) where: Base-Base interactions energy: -7.083 where: short stacking energy: -7.083 Base-Backbone interact. energy: -0.000 local terms energy: -18.739185 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.559 flat angles P-C4'-P energy: -3.248 tors. eta vs tors. theta energy: -1.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -28.032526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.032526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.032526 (E_RNA) where: Base-Base interactions energy: -8.493 where: short stacking energy: -8.493 Base-Backbone interact. energy: -0.000 local terms energy: -19.539398 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -3.379 flat angles P-C4'-P energy: -2.816 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: 4, replica: 8 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -27.346393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.346393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.346393 (E_RNA) where: Base-Base interactions energy: -7.489 where: short stacking energy: -7.489 Base-Backbone interact. energy: -0.000 local terms energy: -19.857710 where: bonds (distance) C4'-P energy: -3.268 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.188 flat angles P-C4'-P energy: -3.795 tors. eta vs tors. theta energy: -3.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -24.276039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.276039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.276039 (E_RNA) where: Base-Base interactions energy: -6.851 where: short stacking energy: -6.851 Base-Backbone interact. energy: -0.003 local terms energy: -17.421305 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.904 flat angles P-C4'-P energy: -3.065 tors. eta vs tors. theta energy: -0.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -28.407270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.407270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.407270 (E_RNA) where: Base-Base interactions energy: -12.363 where: short stacking energy: -12.363 Base-Backbone interact. energy: -0.000 local terms energy: -16.044248 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -3.790 flat angles C4'-P-C4' energy: -3.584 flat angles P-C4'-P energy: -3.258 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: 2 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -21.654002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.654002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.654002 (E_RNA) where: Base-Base interactions energy: -6.498 where: short stacking energy: -6.498 Base-Backbone interact. energy: -0.000 local terms energy: -15.155965 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -4.245 flat angles P-C4'-P energy: -1.094 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: 245 Temperature: 1.250000 Total energy: -22.183906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.183906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.183906 (E_RNA) where: Base-Base interactions energy: -6.729 where: short stacking energy: -6.729 Base-Backbone interact. energy: -0.000 local terms energy: -15.455360 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.569 flat angles P-C4'-P energy: -1.853 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: 9, replica: 6 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -24.577818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.577818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.577818 (E_RNA) where: Base-Base interactions energy: -7.890 where: short stacking energy: -7.890 Base-Backbone interact. energy: -0.000 local terms energy: -16.687293 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -1.427 flat angles P-C4'-P energy: -2.339 tors. eta vs tors. theta energy: -3.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -19.401213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.401213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.401213 (E_RNA) where: Base-Base interactions energy: -7.162 where: short stacking energy: -4.846 Base-Backbone interact. energy: -0.067 local terms energy: -12.171978 where: bonds (distance) C4'-P energy: -3.487 bonds (distance) P-C4' energy: -3.885 flat angles C4'-P-C4' energy: -1.883 flat angles P-C4'-P energy: -3.263 tors. eta vs tors. theta energy: 0.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -25.792358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.792358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.792358 (E_RNA) where: Base-Base interactions energy: -7.705 where: short stacking energy: -7.705 Base-Backbone interact. energy: -0.000 local terms energy: -18.087704 where: bonds (distance) C4'-P energy: -3.206 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.275 flat angles P-C4'-P energy: -3.765 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: 2, replica: 3 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -26.747716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.747716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.747716 (E_RNA) where: Base-Base interactions energy: -10.646 where: short stacking energy: -10.646 Base-Backbone interact. energy: -0.484 local terms energy: -15.618339 where: bonds (distance) C4'-P energy: -3.301 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.498 flat angles P-C4'-P energy: -3.559 tors. eta vs tors. theta energy: -0.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -29.500064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.500064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.500064 (E_RNA) where: Base-Base interactions energy: -10.726 where: short stacking energy: -10.726 Base-Backbone interact. energy: -0.000 local terms energy: -18.773758 where: bonds (distance) C4'-P energy: -3.897 bonds (distance) P-C4' energy: -3.755 flat angles C4'-P-C4' energy: -3.279 flat angles P-C4'-P energy: -3.205 tors. eta vs tors. theta energy: -4.639 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: 5 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -27.970645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.970645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.970645 (E_RNA) where: Base-Base interactions energy: -8.476 where: short stacking energy: -8.476 Base-Backbone interact. energy: -0.000 local terms energy: -19.494793 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -4.188 flat angles P-C4'-P energy: -3.884 tors. eta vs tors. theta energy: -2.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -24.588937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.588937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.588937 (E_RNA) where: Base-Base interactions energy: -8.232 where: short stacking energy: -8.232 Base-Backbone interact. energy: -0.000 local terms energy: -16.356703 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.608 flat angles P-C4'-P energy: -2.192 tors. eta vs tors. theta energy: -0.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -22.380864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.380864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.380864 (E_RNA) where: Base-Base interactions energy: -7.666 where: short stacking energy: -7.666 Base-Backbone interact. energy: -0.001 local terms energy: -14.713926 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.487 flat angles P-C4'-P energy: -0.904 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: 7, replica: 2 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -27.924094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.924094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.924094 (E_RNA) where: Base-Base interactions energy: -9.272 where: short stacking energy: -9.272 Base-Backbone interact. energy: -0.000 local terms energy: -18.652046 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.051 flat angles C4'-P-C4' energy: -3.746 flat angles P-C4'-P energy: -3.008 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: 8, replica: 7 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -19.085455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.085455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.085455 (E_RNA) where: Base-Base interactions energy: -4.875 where: short stacking energy: -4.875 Base-Backbone interact. energy: -0.004 local terms energy: -14.206228 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -2.739 flat angles P-C4'-P energy: -0.680 tors. eta vs tors. theta energy: -1.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -25.527558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.527558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.527558 (E_RNA) where: Base-Base interactions energy: -10.237 where: short stacking energy: -10.237 Base-Backbone interact. energy: -0.000 local terms energy: -15.290270 where: bonds (distance) C4'-P energy: -2.006 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.237 flat angles P-C4'-P energy: -3.037 tors. eta vs tors. theta energy: -1.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -23.601101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.601101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.601101 (E_RNA) where: Base-Base interactions energy: -7.691 where: short stacking energy: -7.691 Base-Backbone interact. energy: -0.000 local terms energy: -15.910485 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -3.723 flat angles C4'-P-C4' energy: -3.069 flat angles P-C4'-P energy: -4.098 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: 1, replica: 1 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -26.677623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.677623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.677623 (E_RNA) where: Base-Base interactions energy: -7.997 where: short stacking energy: -7.997 Base-Backbone interact. energy: -0.026 local terms energy: -18.655215 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.731 flat angles P-C4'-P energy: -1.833 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: 2, replica: 8 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -29.322695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.322695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.322695 (E_RNA) where: Base-Base interactions energy: -11.281 where: short stacking energy: -11.281 Base-Backbone interact. energy: -0.000 local terms energy: -18.041876 where: bonds (distance) C4'-P energy: -4.311 bonds (distance) P-C4' energy: -3.301 flat angles C4'-P-C4' energy: -4.211 flat angles P-C4'-P energy: -3.368 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: 3 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -24.667078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.667078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.667078 (E_RNA) where: Base-Base interactions energy: -6.470 where: short stacking energy: -6.470 Base-Backbone interact. energy: -0.099 local terms energy: -18.098349 where: bonds (distance) C4'-P energy: -2.423 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.732 flat angles P-C4'-P energy: -3.824 tors. eta vs tors. theta energy: -2.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -26.844412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.844412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.844412 (E_RNA) where: Base-Base interactions energy: -7.995 where: short stacking energy: -7.995 Base-Backbone interact. energy: -0.000 local terms energy: -18.849630 where: bonds (distance) C4'-P energy: -3.654 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.900 flat angles P-C4'-P energy: -2.768 tors. eta vs tors. theta energy: -3.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -24.755779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.755779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.755779 (E_RNA) where: Base-Base interactions energy: -7.306 where: short stacking energy: -7.306 Base-Backbone interact. energy: -0.000 local terms energy: -17.449673 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -4.123 flat angles P-C4'-P energy: -1.452 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: 6, replica: 2 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -24.081722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.081722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.081722 (E_RNA) where: Base-Base interactions energy: -5.384 where: short stacking energy: -5.384 Base-Backbone interact. energy: -0.001 local terms energy: -18.696542 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -4.731 flat angles P-C4'-P energy: -3.685 tors. eta vs tors. theta energy: -1.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -21.728003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.728003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.728003 (E_RNA) where: Base-Base interactions energy: -3.812 where: short stacking energy: -3.812 Base-Backbone interact. energy: -0.014 local terms energy: -17.902063 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.674 flat angles P-C4'-P energy: -3.254 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: 8, replica: 10 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -22.765287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.765287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.765287 (E_RNA) where: Base-Base interactions energy: -5.832 where: short stacking energy: -5.832 Base-Backbone interact. energy: -0.004 local terms energy: -16.929635 where: bonds (distance) C4'-P energy: -3.152 bonds (distance) P-C4' energy: -4.205 flat angles C4'-P-C4' energy: -3.975 flat angles P-C4'-P energy: -2.687 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: 9, replica: 7 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -22.473841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.473841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.473841 (E_RNA) where: Base-Base interactions energy: -7.712 where: short stacking energy: -7.712 Base-Backbone interact. energy: -0.000 local terms energy: -14.762013 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -0.797 flat angles P-C4'-P energy: -1.971 tors. eta vs tors. theta energy: -2.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -23.264889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.264889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.264889 (E_RNA) where: Base-Base interactions energy: -7.255 where: short stacking energy: -7.255 Base-Backbone interact. energy: -0.014 local terms energy: -15.995282 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.447 flat angles P-C4'-P energy: -1.839 tors. eta vs tors. theta energy: -1.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -22.470748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.470748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.470748 (E_RNA) where: Base-Base interactions energy: -4.477 where: short stacking energy: -4.477 Base-Backbone interact. energy: -0.071 local terms energy: -17.922490 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.024 flat angles P-C4'-P energy: -3.306 tors. eta vs tors. theta energy: -0.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -24.804964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.804964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.804964 (E_RNA) where: Base-Base interactions energy: -7.316 where: short stacking energy: -7.316 Base-Backbone interact. energy: -0.000 local terms energy: -17.488476 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.953 flat angles P-C4'-P energy: -4.036 tors. eta vs tors. theta energy: 0.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -22.900436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.900436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.900436 (E_RNA) where: Base-Base interactions energy: -8.576 where: short stacking energy: -8.576 Base-Backbone interact. energy: -0.099 local terms energy: -14.225643 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -0.616 flat angles P-C4'-P energy: -3.157 tors. eta vs tors. theta energy: -1.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -22.477766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.477766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.477766 (E_RNA) where: Base-Base interactions energy: -6.159 where: short stacking energy: -6.159 Base-Backbone interact. energy: -0.003 local terms energy: -16.315895 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.459 flat angles P-C4'-P energy: -3.203 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: 5, replica: 2 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -24.532955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.532955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.532955 (E_RNA) where: Base-Base interactions energy: -6.376 where: short stacking energy: -6.376 Base-Backbone interact. energy: -0.000 local terms energy: -18.156457 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.561 flat angles P-C4'-P energy: -2.727 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: 6, replica: 5 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -25.092509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.092509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.092509 (E_RNA) where: Base-Base interactions energy: -6.544 where: short stacking energy: -6.544 Base-Backbone interact. energy: -0.000 local terms energy: -18.548955 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.598 flat angles P-C4'-P energy: -3.383 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: 10 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -23.576079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.576079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.576079 (E_RNA) where: Base-Base interactions energy: -6.909 where: short stacking energy: -6.909 Base-Backbone interact. energy: -0.000 local terms energy: -16.667267 where: bonds (distance) C4'-P energy: -3.148 bonds (distance) P-C4' energy: -3.588 flat angles C4'-P-C4' energy: -4.625 flat angles P-C4'-P energy: -3.287 tors. eta vs tors. theta energy: -2.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 248 Temperature: 1.250000 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: -8.108 where: short stacking energy: -8.108 Base-Backbone interact. energy: -0.011 local terms energy: -16.970813 where: bonds (distance) C4'-P energy: -4.233 bonds (distance) P-C4' energy: -4.082 flat angles C4'-P-C4' energy: -3.653 flat angles P-C4'-P energy: -3.127 tors. eta vs tors. theta energy: -1.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -22.561796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.561796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.561796 (E_RNA) where: Base-Base interactions energy: -6.451 where: short stacking energy: -7.108 Base-Backbone interact. energy: -0.003 local terms energy: -16.107105 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.955 flat angles P-C4'-P energy: 0.058 tors. eta vs tors. theta energy: -2.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -21.728081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.728081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.728081 (E_RNA) where: Base-Base interactions energy: -3.980 where: short stacking energy: -3.980 Base-Backbone interact. energy: -0.002 local terms energy: -17.745901 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.552 flat angles P-C4'-P energy: -3.807 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: 1, replica: 8 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -29.930817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.930817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.930817 (E_RNA) where: Base-Base interactions energy: -11.374 where: short stacking energy: -11.374 Base-Backbone interact. energy: -0.000 local terms energy: -18.556703 where: bonds (distance) C4'-P energy: -3.574 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.305 flat angles P-C4'-P energy: -2.207 tors. eta vs tors. theta energy: -3.582 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: 4 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -29.888601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.888601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.888601 (E_RNA) where: Base-Base interactions energy: -10.242 where: short stacking energy: -10.242 Base-Backbone interact. energy: -0.000 local terms energy: -19.646696 where: bonds (distance) C4'-P energy: -3.645 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.210 flat angles P-C4'-P energy: -2.894 tors. eta vs tors. theta energy: -3.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -23.419560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.419560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.419560 (E_RNA) where: Base-Base interactions energy: -7.661 where: short stacking energy: -7.661 Base-Backbone interact. energy: -0.043 local terms energy: -15.715245 where: bonds (distance) C4'-P energy: -2.565 bonds (distance) P-C4' energy: -4.054 flat angles C4'-P-C4' energy: -3.923 flat angles P-C4'-P energy: -2.900 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: 4, replica: 2 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -23.959915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.959915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.959915 (E_RNA) where: Base-Base interactions energy: -11.327 where: short stacking energy: -11.327 Base-Backbone interact. energy: -0.017 local terms energy: -12.615157 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -2.017 flat angles C4'-P-C4' energy: -4.456 flat angles P-C4'-P energy: -0.906 tors. eta vs tors. theta energy: -0.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -22.894921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.894921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.894921 (E_RNA) where: Base-Base interactions energy: -6.638 where: short stacking energy: -6.638 Base-Backbone interact. energy: -0.000 local terms energy: -16.257129 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -3.364 flat angles C4'-P-C4' energy: -3.996 flat angles P-C4'-P energy: -2.760 tors. eta vs tors. theta energy: -1.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -24.783890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.783890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.783890 (E_RNA) where: Base-Base interactions energy: -7.634 where: short stacking energy: -7.634 Base-Backbone interact. energy: -0.000 local terms energy: -17.149551 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -3.748 flat angles C4'-P-C4' energy: -2.758 flat angles P-C4'-P energy: -3.087 tors. eta vs tors. theta energy: -3.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -24.122606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.122606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.122606 (E_RNA) where: Base-Base interactions energy: -10.754 where: short stacking energy: -10.754 Base-Backbone interact. energy: -0.000 local terms energy: -13.368628 where: bonds (distance) C4'-P energy: -2.279 bonds (distance) P-C4' energy: -4.413 flat angles C4'-P-C4' energy: -2.018 flat angles P-C4'-P energy: -2.866 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: 8, replica: 6 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -23.731744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.731744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.731744 (E_RNA) where: Base-Base interactions energy: -4.372 where: short stacking energy: -4.372 Base-Backbone interact. energy: -0.002 local terms energy: -19.357590 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.877 flat angles P-C4'-P energy: -3.498 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: 9, replica: 9 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -23.308163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.308163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.308163 (E_RNA) where: Base-Base interactions energy: -7.274 where: short stacking energy: -7.274 Base-Backbone interact. energy: -0.000 local terms energy: -16.034124 where: bonds (distance) C4'-P energy: -2.867 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -4.397 flat angles P-C4'-P energy: -0.823 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: 10, replica: 7 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -20.092556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.092556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.092556 (E_RNA) where: Base-Base interactions energy: -6.415 where: short stacking energy: -6.415 Base-Backbone interact. energy: -0.008 local terms energy: -13.669507 where: bonds (distance) C4'-P energy: -2.962 bonds (distance) P-C4' energy: -3.889 flat angles C4'-P-C4' energy: -3.722 flat angles P-C4'-P energy: -0.570 tors. eta vs tors. theta energy: -2.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -29.062019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.062019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.062019 (E_RNA) where: Base-Base interactions energy: -11.694 where: short stacking energy: -11.694 Base-Backbone interact. energy: -0.000 local terms energy: -17.367784 where: bonds (distance) C4'-P energy: -3.128 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -4.419 flat angles P-C4'-P energy: -3.281 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: 2, replica: 8 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -26.423435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.423435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.423435 (E_RNA) where: Base-Base interactions energy: -9.340 where: short stacking energy: -9.340 Base-Backbone interact. energy: -0.000 local terms energy: -17.083642 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -2.921 flat angles P-C4'-P energy: -2.151 tors. eta vs tors. theta energy: -2.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -23.924783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.924783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.924783 (E_RNA) where: Base-Base interactions energy: -7.123 where: short stacking energy: -7.123 Base-Backbone interact. energy: -0.001 local terms energy: -16.801005 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -2.391 flat angles C4'-P-C4' energy: -4.530 flat angles P-C4'-P energy: -3.300 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: 4, replica: 1 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -24.922116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.922116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.922116 (E_RNA) where: Base-Base interactions energy: -8.882 where: short stacking energy: -8.882 Base-Backbone interact. energy: -0.000 local terms energy: -16.039721 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.182 flat angles P-C4'-P energy: -1.850 tors. eta vs tors. theta energy: -1.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -25.214216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.214216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.214216 (E_RNA) where: Base-Base interactions energy: -7.251 where: short stacking energy: -7.251 Base-Backbone interact. energy: -0.000 local terms energy: -17.963656 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.518 flat angles C4'-P-C4' energy: -3.829 flat angles P-C4'-P energy: -3.093 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: 6, replica: 3 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -20.822965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.822965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.822965 (E_RNA) where: Base-Base interactions energy: -3.982 where: short stacking energy: -3.982 Base-Backbone interact. energy: -0.000 local terms energy: -16.840835 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -3.320 flat angles P-C4'-P energy: -3.601 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: 6 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -21.008166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.008166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.008166 (E_RNA) where: Base-Base interactions energy: -6.154 where: short stacking energy: -6.154 Base-Backbone interact. energy: -0.002 local terms energy: -14.851755 where: bonds (distance) C4'-P energy: -2.900 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.260 flat angles P-C4'-P energy: -3.728 tors. eta vs tors. theta energy: 0.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -24.501454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.501454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.501454 (E_RNA) where: Base-Base interactions energy: -7.894 where: short stacking energy: -7.894 Base-Backbone interact. energy: -0.000 local terms energy: -16.607301 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -3.149 flat angles C4'-P-C4' energy: -3.222 flat angles P-C4'-P energy: -3.993 tors. eta vs tors. theta energy: -2.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -22.419345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.419345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.419345 (E_RNA) where: Base-Base interactions energy: -7.306 where: short stacking energy: -7.306 Base-Backbone interact. energy: -0.002 local terms energy: -15.111435 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -4.350 flat angles P-C4'-P energy: -2.682 tors. eta vs tors. theta energy: 0.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -23.150707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.150707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.150707 (E_RNA) where: Base-Base interactions energy: -5.834 where: short stacking energy: -5.834 Base-Backbone interact. energy: -0.000 local terms energy: -17.316202 where: bonds (distance) C4'-P energy: -2.788 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -3.425 flat angles P-C4'-P energy: -2.432 tors. eta vs tors. theta energy: -3.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -30.090452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.090452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.090452 (E_RNA) where: Base-Base interactions energy: -12.204 where: short stacking energy: -12.204 Base-Backbone interact. energy: -0.001 local terms energy: -17.885296 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -4.115 flat angles P-C4'-P energy: -3.077 tors. eta vs tors. theta energy: -1.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -28.288375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.288375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.288375 (E_RNA) where: Base-Base interactions energy: -9.498 where: short stacking energy: -9.498 Base-Backbone interact. energy: -0.000 local terms energy: -18.790091 where: bonds (distance) C4'-P energy: -2.859 bonds (distance) P-C4' energy: -4.441 flat angles C4'-P-C4' energy: -4.731 flat angles P-C4'-P energy: -2.918 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: 3, replica: 8 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -25.404910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.404910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.404910 (E_RNA) where: Base-Base interactions energy: -6.832 where: short stacking energy: -6.832 Base-Backbone interact. energy: -0.000 local terms energy: -18.573002 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.364 flat angles P-C4'-P energy: -3.192 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: 4, replica: 10 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -25.614930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.614930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.614930 (E_RNA) where: Base-Base interactions energy: -6.691 where: short stacking energy: -6.691 Base-Backbone interact. energy: -0.000 local terms energy: -18.924299 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.644 flat angles P-C4'-P energy: -3.441 tors. eta vs tors. theta energy: -1.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -23.475257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.475257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.475257 (E_RNA) where: Base-Base interactions energy: -6.231 where: short stacking energy: -4.604 Base-Backbone interact. energy: 0.173 local terms energy: -17.417986 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.011 flat angles P-C4'-P energy: -3.462 tors. eta vs tors. theta energy: -0.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -22.280380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.280380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.280380 (E_RNA) where: Base-Base interactions energy: -3.186 where: short stacking energy: -3.186 Base-Backbone interact. energy: -0.000 local terms energy: -19.094714 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.397 flat angles P-C4'-P energy: -3.333 tors. eta vs tors. theta energy: -1.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -20.362691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.362691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.362691 (E_RNA) where: Base-Base interactions energy: -3.320 where: short stacking energy: -3.320 Base-Backbone interact. energy: -0.000 local terms energy: -17.042433 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -4.430 flat angles P-C4'-P energy: -2.988 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: 8, replica: 5 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -25.226275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.226275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.226275 (E_RNA) where: Base-Base interactions energy: -7.252 where: short stacking energy: -7.252 Base-Backbone interact. energy: -0.000 local terms energy: -17.973800 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -2.969 flat angles C4'-P-C4' energy: -4.157 flat angles P-C4'-P energy: -2.531 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: 9, replica: 7 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -20.283174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.283174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.283174 (E_RNA) where: Base-Base interactions energy: -4.776 where: short stacking energy: -4.776 Base-Backbone interact. energy: -0.050 local terms energy: -15.457884 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.413 flat angles C4'-P-C4' energy: -1.642 flat angles P-C4'-P energy: -3.550 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: 10, replica: 9 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -19.444718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.444718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.444718 (E_RNA) where: Base-Base interactions energy: -3.784 where: short stacking energy: -3.784 Base-Backbone interact. energy: -0.013 local terms energy: -15.647408 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.339 flat angles C4'-P-C4' energy: -3.593 flat angles P-C4'-P energy: -2.127 tors. eta vs tors. theta energy: -1.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -27.109744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.109744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.109744 (E_RNA) where: Base-Base interactions energy: -10.530 where: short stacking energy: -10.530 Base-Backbone interact. energy: -0.000 local terms energy: -16.579786 where: bonds (distance) C4'-P energy: -2.743 bonds (distance) P-C4' energy: -4.606 flat angles C4'-P-C4' energy: -3.484 flat angles P-C4'-P energy: -3.759 tors. eta vs tors. theta energy: -1.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -29.331854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.331854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.331854 (E_RNA) where: Base-Base interactions energy: -10.891 where: short stacking energy: -10.891 Base-Backbone interact. energy: -0.000 local terms energy: -18.440988 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -2.898 flat angles C4'-P-C4' energy: -3.470 flat angles P-C4'-P energy: -3.408 tors. eta vs tors. theta energy: -4.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -24.166107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.166107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.166107 (E_RNA) where: Base-Base interactions energy: -7.075 where: short stacking energy: -7.075 Base-Backbone interact. energy: -0.002 local terms energy: -17.089736 where: bonds (distance) C4'-P energy: -3.044 bonds (distance) P-C4' energy: -4.413 flat angles C4'-P-C4' energy: -3.721 flat angles P-C4'-P energy: -2.336 tors. eta vs tors. theta energy: -3.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -23.682098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.682098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.682098 (E_RNA) where: Base-Base interactions energy: -7.288 where: short stacking energy: -7.288 Base-Backbone interact. energy: -0.039 local terms energy: -16.355344 where: bonds (distance) C4'-P energy: -3.389 bonds (distance) P-C4' energy: -3.131 flat angles C4'-P-C4' energy: -4.614 flat angles P-C4'-P energy: -3.112 tors. eta vs tors. theta energy: -2.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -21.674758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.674758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.674758 (E_RNA) where: Base-Base interactions energy: -8.443 where: short stacking energy: -8.443 Base-Backbone interact. energy: 0.449 local terms energy: -13.680915 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -3.641 flat angles P-C4'-P energy: -0.994 tors. eta vs tors. theta energy: -0.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -23.623239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.623239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.623239 (E_RNA) where: Base-Base interactions energy: -8.142 where: short stacking energy: -8.142 Base-Backbone interact. energy: -0.006 local terms energy: -15.475948 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -3.849 flat angles C4'-P-C4' energy: -3.794 flat angles P-C4'-P energy: -3.214 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: 7, replica: 5 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -21.681300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.681300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.681300 (E_RNA) where: Base-Base interactions energy: -5.927 where: short stacking energy: -5.927 Base-Backbone interact. energy: -0.000 local terms energy: -15.754647 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.991 flat angles P-C4'-P energy: -1.396 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: 8, replica: 3 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -21.944059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.944059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.944059 (E_RNA) where: Base-Base interactions energy: -3.954 where: short stacking energy: -3.954 Base-Backbone interact. energy: -0.000 local terms energy: -17.990267 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.668 flat angles P-C4'-P energy: -2.294 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: 9, replica: 9 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -19.442383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.442383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.442383 (E_RNA) where: Base-Base interactions energy: -2.810 where: short stacking energy: -2.810 Base-Backbone interact. energy: -0.000 local terms energy: -16.632819 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -4.046 flat angles P-C4'-P energy: -1.919 tors. eta vs tors. theta energy: -2.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -27.408798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.408798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.408798 (E_RNA) where: Base-Base interactions energy: -7.929 where: short stacking energy: -7.929 Base-Backbone interact. energy: -0.000 local terms energy: -19.479631 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.993 flat angles P-C4'-P energy: -3.338 tors. eta vs tors. theta energy: -2.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -28.694217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.694217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.694217 (E_RNA) where: Base-Base interactions energy: -10.226 where: short stacking energy: -10.226 Base-Backbone interact. energy: -0.000 local terms energy: -18.468567 where: bonds (distance) C4'-P energy: -3.384 bonds (distance) P-C4' energy: -4.051 flat angles C4'-P-C4' energy: -4.265 flat angles P-C4'-P energy: -2.733 tors. eta vs tors. theta energy: -4.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -27.139509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.139509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.139509 (E_RNA) where: Base-Base interactions energy: -8.459 where: short stacking energy: -8.459 Base-Backbone interact. energy: -0.001 local terms energy: -18.679339 where: bonds (distance) C4'-P energy: -4.535 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -4.257 flat angles P-C4'-P energy: -2.454 tors. eta vs tors. theta energy: -3.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -24.308617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.308617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.308617 (E_RNA) where: Base-Base interactions energy: -8.577 where: short stacking energy: -8.577 Base-Backbone interact. energy: -0.003 local terms energy: -15.728666 where: bonds (distance) C4'-P energy: -3.032 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.221 flat angles P-C4'-P energy: -2.064 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: 4, replica: 6 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -25.433165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.433165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.433165 (E_RNA) where: Base-Base interactions energy: -11.051 where: short stacking energy: -11.051 Base-Backbone interact. energy: -0.001 local terms energy: -14.381648 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.413 flat angles C4'-P-C4' energy: -4.350 flat angles P-C4'-P energy: -1.634 tors. eta vs tors. theta energy: 0.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -24.997732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.997732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.997732 (E_RNA) where: Base-Base interactions energy: -8.377 where: short stacking energy: -8.377 Base-Backbone interact. energy: -0.003 local terms energy: -16.617410 where: bonds (distance) C4'-P energy: -3.451 bonds (distance) P-C4' energy: -2.873 flat angles C4'-P-C4' energy: -4.632 flat angles P-C4'-P energy: -3.362 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: 6, replica: 5 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -25.233299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.233299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.233299 (E_RNA) where: Base-Base interactions energy: -9.472 where: short stacking energy: -9.472 Base-Backbone interact. energy: -0.001 local terms energy: -15.760438 where: bonds (distance) C4'-P energy: -2.689 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.001 flat angles P-C4'-P energy: -1.582 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: 7, replica: 1 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -23.289179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.289179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.289179 (E_RNA) where: Base-Base interactions energy: -7.823 where: short stacking energy: -7.823 Base-Backbone interact. energy: -0.092 local terms energy: -15.374534 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.789 flat angles P-C4'-P energy: -1.765 tors. eta vs tors. theta energy: -1.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -17.654325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.654325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.654325 (E_RNA) where: Base-Base interactions energy: -4.247 where: short stacking energy: -4.247 Base-Backbone interact. energy: -0.032 local terms energy: -13.375784 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.420 flat angles C4'-P-C4' energy: -3.689 flat angles P-C4'-P energy: -1.939 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: 9, replica: 3 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -22.180023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.180023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.180023 (E_RNA) where: Base-Base interactions energy: -5.136 where: short stacking energy: -5.136 Base-Backbone interact. energy: -0.007 local terms energy: -17.036575 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -3.848 flat angles P-C4'-P energy: -2.990 tors. eta vs tors. theta energy: -1.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -21.589547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.589547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.589547 (E_RNA) where: Base-Base interactions energy: -4.835 where: short stacking energy: -4.835 Base-Backbone interact. energy: -0.047 local terms energy: -16.708454 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.030 flat angles P-C4'-P energy: -3.146 tors. eta vs tors. theta energy: -0.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -29.467564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.467564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.467564 (E_RNA) where: Base-Base interactions energy: -10.772 where: short stacking energy: -10.772 Base-Backbone interact. energy: -0.000 local terms energy: -18.695585 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -4.106 flat angles C4'-P-C4' energy: -4.136 flat angles P-C4'-P energy: -1.990 tors. eta vs tors. theta energy: -4.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -25.113402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.113402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.113402 (E_RNA) where: Base-Base interactions energy: -7.667 where: short stacking energy: -7.667 Base-Backbone interact. energy: -0.006 local terms energy: -17.440143 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.379 flat angles P-C4'-P energy: -2.036 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: 6 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -24.550497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.550497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.550497 (E_RNA) where: Base-Base interactions energy: -8.618 where: short stacking energy: -8.618 Base-Backbone interact. energy: -0.000 local terms energy: -15.932614 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.061 flat angles P-C4'-P energy: -1.745 tors. eta vs tors. theta energy: -1.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -23.518218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.518218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.518218 (E_RNA) where: Base-Base interactions energy: -9.264 where: short stacking energy: -9.264 Base-Backbone interact. energy: -0.103 local terms energy: -14.151464 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -3.811 flat angles C4'-P-C4' energy: -3.196 flat angles P-C4'-P energy: -3.128 tors. eta vs tors. theta energy: 0.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -22.168068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.168068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.168068 (E_RNA) where: Base-Base interactions energy: -8.121 where: short stacking energy: -8.121 Base-Backbone interact. energy: -0.033 local terms energy: -14.013325 where: bonds (distance) C4'-P energy: -2.518 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.723 flat angles P-C4'-P energy: -2.009 tors. eta vs tors. theta energy: -1.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -24.655021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.655021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.655021 (E_RNA) where: Base-Base interactions energy: -7.312 where: short stacking energy: -7.312 Base-Backbone interact. energy: -0.071 local terms energy: -17.272610 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -3.067 flat angles P-C4'-P energy: -4.071 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: 7, replica: 9 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -23.901904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.901904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.901904 (E_RNA) where: Base-Base interactions energy: -6.565 where: short stacking energy: -6.565 Base-Backbone interact. energy: -0.013 local terms energy: -17.324100 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.256 flat angles P-C4'-P energy: -2.207 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: 1 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -24.284596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.284596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.284596 (E_RNA) where: Base-Base interactions energy: -7.393 where: short stacking energy: -7.393 Base-Backbone interact. energy: -0.000 local terms energy: -16.891311 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.149 flat angles C4'-P-C4' energy: -3.904 flat angles P-C4'-P energy: -2.504 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: 9, replica: 7 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -19.964372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.964372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.964372 (E_RNA) where: Base-Base interactions energy: -4.286 where: short stacking energy: -4.964 Base-Backbone interact. energy: -0.037 local terms energy: -15.642053 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.523 flat angles P-C4'-P energy: -3.498 tors. eta vs tors. theta energy: 0.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -21.405186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.405186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.405186 (E_RNA) where: Base-Base interactions energy: -6.864 where: short stacking energy: -6.864 Base-Backbone interact. energy: -0.001 local terms energy: -14.539759 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -2.969 flat angles C4'-P-C4' energy: -3.239 flat angles P-C4'-P energy: -2.838 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: 1, replica: 2 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -25.609778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.609778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.609778 (E_RNA) where: Base-Base interactions energy: -8.327 where: short stacking energy: -8.327 Base-Backbone interact. energy: -0.092 local terms energy: -17.189855 where: bonds (distance) C4'-P energy: -3.335 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.394 flat angles P-C4'-P energy: -1.870 tors. eta vs tors. theta energy: -2.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -29.942449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.942449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.942449 (E_RNA) where: Base-Base interactions energy: -11.496 where: short stacking energy: -11.496 Base-Backbone interact. energy: -0.000 local terms energy: -18.446650 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.575 flat angles C4'-P-C4' energy: -3.439 flat angles P-C4'-P energy: -3.063 tors. eta vs tors. theta energy: -3.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -24.827514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.827514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.827514 (E_RNA) where: Base-Base interactions energy: -8.677 where: short stacking energy: -8.677 Base-Backbone interact. energy: -0.000 local terms energy: -16.150330 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -2.649 flat angles P-C4'-P energy: -2.310 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: 4, replica: 5 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -23.636402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.636402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.636402 (E_RNA) where: Base-Base interactions energy: -6.637 where: short stacking energy: -6.637 Base-Backbone interact. energy: -0.000 local terms energy: -16.999565 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.631 flat angles C4'-P-C4' energy: -3.890 flat angles P-C4'-P energy: -2.930 tors. eta vs tors. theta energy: -1.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -22.826258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.826258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.826258 (E_RNA) where: Base-Base interactions energy: -4.405 where: short stacking energy: -4.405 Base-Backbone interact. energy: -0.838 local terms energy: -17.582903 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.128 flat angles C4'-P-C4' energy: -4.388 flat angles P-C4'-P energy: -2.803 tors. eta vs tors. theta energy: -1.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -22.133028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.133028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.133028 (E_RNA) where: Base-Base interactions energy: -6.284 where: short stacking energy: -6.284 Base-Backbone interact. energy: -0.005 local terms energy: -15.844269 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.255 flat angles P-C4'-P energy: -2.206 tors. eta vs tors. theta energy: -0.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -21.086908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.086908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.086908 (E_RNA) where: Base-Base interactions energy: -6.478 where: short stacking energy: -6.678 Base-Backbone interact. energy: -0.723 local terms energy: -13.886812 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -3.523 flat angles C4'-P-C4' energy: -4.384 flat angles P-C4'-P energy: -2.481 tors. eta vs tors. theta energy: 0.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -21.228849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.228849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.228849 (E_RNA) where: Base-Base interactions energy: -7.311 where: short stacking energy: -7.311 Base-Backbone interact. energy: -0.001 local terms energy: -13.916818 where: bonds (distance) C4'-P energy: -2.892 bonds (distance) P-C4' energy: -2.944 flat angles C4'-P-C4' energy: -4.012 flat angles P-C4'-P energy: -2.603 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: 9, replica: 1 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -22.181111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.181111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.181111 (E_RNA) where: Base-Base interactions energy: -8.413 where: short stacking energy: -8.413 Base-Backbone interact. energy: -0.001 local terms energy: -13.767006 where: bonds (distance) C4'-P energy: -3.414 bonds (distance) P-C4' energy: -3.004 flat angles C4'-P-C4' energy: -3.901 flat angles P-C4'-P energy: -0.107 tors. eta vs tors. theta energy: -3.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -20.824398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.824398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.824398 (E_RNA) where: Base-Base interactions energy: -6.928 where: short stacking energy: -6.928 Base-Backbone interact. energy: -0.001 local terms energy: -13.895626 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -2.020 flat angles P-C4'-P energy: -1.411 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: 6 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -24.626549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.626549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.626549 (E_RNA) where: Base-Base interactions energy: -6.747 where: short stacking energy: -6.747 Base-Backbone interact. energy: -0.004 local terms energy: -17.875453 where: bonds (distance) C4'-P energy: -3.708 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.468 flat angles P-C4'-P energy: -3.715 tors. eta vs tors. theta energy: -0.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -26.916374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.916374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.916374 (E_RNA) where: Base-Base interactions energy: -7.393 where: short stacking energy: -7.393 Base-Backbone interact. energy: -0.000 local terms energy: -19.523794 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -4.595 flat angles P-C4'-P energy: -2.737 tors. eta vs tors. theta energy: -2.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -29.363525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.363525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.363525 (E_RNA) where: Base-Base interactions energy: -11.453 where: short stacking energy: -11.453 Base-Backbone interact. energy: -0.000 local terms energy: -17.910349 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -2.675 flat angles P-C4'-P energy: -2.802 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: 10 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -27.310119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.310119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.310119 (E_RNA) where: Base-Base interactions energy: -10.427 where: short stacking energy: -10.427 Base-Backbone interact. energy: -0.000 local terms energy: -16.883611 where: bonds (distance) C4'-P energy: -2.580 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.521 flat angles P-C4'-P energy: -2.592 tors. eta vs tors. theta energy: -2.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -25.474458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.474458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.474458 (E_RNA) where: Base-Base interactions energy: -7.906 where: short stacking energy: -7.906 Base-Backbone interact. energy: -0.000 local terms energy: -17.568523 where: bonds (distance) C4'-P energy: -3.277 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.714 flat angles P-C4'-P energy: -3.156 tors. eta vs tors. theta energy: -3.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -22.463197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.463197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.463197 (E_RNA) where: Base-Base interactions energy: -6.715 where: short stacking energy: -6.715 Base-Backbone interact. energy: -0.000 local terms energy: -15.748346 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.656 flat angles P-C4'-P energy: -2.818 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: 7, replica: 7 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -21.635101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.635101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.635101 (E_RNA) where: Base-Base interactions energy: -3.947 where: short stacking energy: -3.947 Base-Backbone interact. energy: -0.055 local terms energy: -17.632746 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.609 flat angles P-C4'-P energy: -2.929 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: 8, replica: 8 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -22.559313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.559313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.559313 (E_RNA) where: Base-Base interactions energy: -6.046 where: short stacking energy: -6.046 Base-Backbone interact. energy: -0.000 local terms energy: -16.513129 where: bonds (distance) C4'-P energy: -2.689 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.154 flat angles P-C4'-P energy: -2.987 tors. eta vs tors. theta energy: -1.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -18.150140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.150140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.150140 (E_RNA) where: Base-Base interactions energy: -3.583 where: short stacking energy: -3.583 Base-Backbone interact. energy: -0.028 local terms energy: -14.539220 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -3.364 flat angles C4'-P-C4' energy: -3.449 flat angles P-C4'-P energy: -3.355 tors. eta vs tors. theta energy: -0.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -21.590393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.590393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.590393 (E_RNA) where: Base-Base interactions energy: -4.641 where: short stacking energy: -4.641 Base-Backbone interact. energy: -0.000 local terms energy: -16.949046 where: bonds (distance) C4'-P energy: -3.708 bonds (distance) P-C4' energy: -3.815 flat angles C4'-P-C4' energy: -3.769 flat angles P-C4'-P energy: -3.607 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: 1, replica: 6 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -24.625231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.625231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.625231 (E_RNA) where: Base-Base interactions energy: -6.334 where: short stacking energy: -6.334 Base-Backbone interact. energy: -0.000 local terms energy: -18.291339 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -4.149 flat angles C4'-P-C4' energy: -3.784 flat angles P-C4'-P energy: -3.510 tors. eta vs tors. theta energy: -2.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -26.460782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.460782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.460782 (E_RNA) where: Base-Base interactions energy: -7.280 where: short stacking energy: -7.280 Base-Backbone interact. energy: -0.000 local terms energy: -19.180920 where: bonds (distance) C4'-P energy: -4.009 bonds (distance) P-C4' energy: -3.793 flat angles C4'-P-C4' energy: -4.721 flat angles P-C4'-P energy: -3.229 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: 3, replica: 5 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -25.958400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.958400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.958400 (E_RNA) where: Base-Base interactions energy: -7.767 where: short stacking energy: -7.767 Base-Backbone interact. energy: -0.001 local terms energy: -18.190070 where: bonds (distance) C4'-P energy: -3.673 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.836 flat angles P-C4'-P energy: -3.776 tors. eta vs tors. theta energy: -1.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -24.611697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.611697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.611697 (E_RNA) where: Base-Base interactions energy: -7.901 where: short stacking energy: -7.901 Base-Backbone interact. energy: -0.000 local terms energy: -16.710164 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -2.555 flat angles P-C4'-P energy: -3.892 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: 10 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -24.673912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.673912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.673912 (E_RNA) where: Base-Base interactions energy: -9.254 where: short stacking energy: -9.254 Base-Backbone interact. energy: -0.278 local terms energy: -15.141749 where: bonds (distance) C4'-P energy: -3.053 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -2.777 flat angles P-C4'-P energy: -1.543 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: 6, replica: 7 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -23.899220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.899220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.899220 (E_RNA) where: Base-Base interactions energy: -4.969 where: short stacking energy: -4.969 Base-Backbone interact. energy: -0.094 local terms energy: -18.836345 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.647 flat angles P-C4'-P energy: -3.163 tors. eta vs tors. theta energy: -2.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -19.739782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.739782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.739782 (E_RNA) where: Base-Base interactions energy: -5.933 where: short stacking energy: -5.933 Base-Backbone interact. energy: -0.001 local terms energy: -13.805618 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.779 flat angles P-C4'-P energy: -1.302 tors. eta vs tors. theta energy: -0.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -22.084386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.084386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.084386 (E_RNA) where: Base-Base interactions energy: -5.421 where: short stacking energy: -5.421 Base-Backbone interact. energy: -0.000 local terms energy: -16.663254 where: bonds (distance) C4'-P energy: -2.768 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.500 flat angles P-C4'-P energy: -2.292 tors. eta vs tors. theta energy: -2.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -24.380038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.380038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.380038 (E_RNA) where: Base-Base interactions energy: -7.336 where: short stacking energy: -7.336 Base-Backbone interact. energy: -0.001 local terms energy: -17.043719 where: bonds (distance) C4'-P energy: -3.327 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -3.669 flat angles P-C4'-P energy: -3.532 tors. eta vs tors. theta energy: -1.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -23.423676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.423676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.423676 (E_RNA) where: Base-Base interactions energy: -6.188 where: short stacking energy: -6.188 Base-Backbone interact. energy: -0.000 local terms energy: -17.235313 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.370 flat angles C4'-P-C4' energy: -3.331 flat angles P-C4'-P energy: -2.406 tors. eta vs tors. theta energy: -2.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -28.807233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.807233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.807233 (E_RNA) where: Base-Base interactions energy: -10.918 where: short stacking energy: -10.918 Base-Backbone interact. energy: -0.001 local terms energy: -17.888683 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -4.896 flat angles C4'-P-C4' energy: -4.133 flat angles P-C4'-P energy: -3.908 tors. eta vs tors. theta energy: -1.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -27.993833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.993833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.993833 (E_RNA) where: Base-Base interactions energy: -11.479 where: short stacking energy: -11.479 Base-Backbone interact. energy: -0.000 local terms energy: -16.515164 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.771 flat angles P-C4'-P energy: -0.824 tors. eta vs tors. theta energy: -2.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -31.527185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.527185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.527185 (E_RNA) where: Base-Base interactions energy: -10.603 where: short stacking energy: -10.603 Base-Backbone interact. energy: -0.000 local terms energy: -20.924476 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.792 flat angles P-C4'-P energy: -3.314 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: 4, replica: 5 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -26.449692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.449692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.449692 (E_RNA) where: Base-Base interactions energy: -8.408 where: short stacking energy: -8.408 Base-Backbone interact. energy: -0.002 local terms energy: -18.040263 where: bonds (distance) C4'-P energy: -3.708 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.845 flat angles P-C4'-P energy: -3.447 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: 5, replica: 7 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -26.991085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.991085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.991085 (E_RNA) where: Base-Base interactions energy: -10.290 where: short stacking energy: -10.290 Base-Backbone interact. energy: -0.000 local terms energy: -16.700634 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -2.311 flat angles P-C4'-P energy: -2.499 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: 6, replica: 10 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -22.785243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.785243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.785243 (E_RNA) where: Base-Base interactions energy: -3.873 where: short stacking energy: -3.873 Base-Backbone interact. energy: -0.000 local terms energy: -18.912264 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.148 flat angles P-C4'-P energy: -2.097 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: 7, replica: 3 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -23.305584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.305584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.305584 (E_RNA) where: Base-Base interactions energy: -7.762 where: short stacking energy: -7.762 Base-Backbone interact. energy: -0.000 local terms energy: -15.543585 where: bonds (distance) C4'-P energy: -2.672 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -2.059 flat angles P-C4'-P energy: -2.288 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: 8, replica: 4 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -22.291302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.291302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.291302 (E_RNA) where: Base-Base interactions energy: -5.855 where: short stacking energy: -6.249 Base-Backbone interact. energy: -0.000 local terms energy: -16.436001 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -2.677 flat angles P-C4'-P energy: -2.524 tors. eta vs tors. theta energy: -2.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -23.462645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.462645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.462645 (E_RNA) where: Base-Base interactions energy: -7.581 where: short stacking energy: -7.581 Base-Backbone interact. energy: -0.001 local terms energy: -15.880617 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.367 flat angles P-C4'-P energy: -3.428 tors. eta vs tors. theta energy: 0.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -21.089184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.089184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.089184 (E_RNA) where: Base-Base interactions energy: -7.583 where: short stacking energy: -7.583 Base-Backbone interact. energy: -0.000 local terms energy: -13.506162 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.818 flat angles C4'-P-C4' energy: -2.990 flat angles P-C4'-P energy: -2.216 tors. eta vs tors. theta energy: -0.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -25.382415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.382415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.382415 (E_RNA) where: Base-Base interactions energy: -7.717 where: short stacking energy: -7.717 Base-Backbone interact. energy: -0.000 local terms energy: -17.665592 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.254 flat angles P-C4'-P energy: -2.156 tors. eta vs tors. theta energy: -1.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -31.016333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.016333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.016333 (E_RNA) where: Base-Base interactions energy: -10.790 where: short stacking energy: -10.790 Base-Backbone interact. energy: -0.000 local terms energy: -20.225947 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -4.609 flat angles P-C4'-P energy: -2.825 tors. eta vs tors. theta energy: -3.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -26.108968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.108968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.108968 (E_RNA) where: Base-Base interactions energy: -7.311 where: short stacking energy: -7.311 Base-Backbone interact. energy: -0.000 local terms energy: -18.797412 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.824 flat angles P-C4'-P energy: -2.873 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: 7 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -21.946365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.946365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.946365 (E_RNA) where: Base-Base interactions energy: -8.014 where: short stacking energy: -8.014 Base-Backbone interact. energy: -0.039 local terms energy: -13.892970 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -3.187 flat angles C4'-P-C4' energy: -4.192 flat angles P-C4'-P energy: -1.577 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: 5, replica: 5 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -25.942854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.942854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.942854 (E_RNA) where: Base-Base interactions energy: -8.056 where: short stacking energy: -8.056 Base-Backbone interact. energy: -0.000 local terms energy: -17.887020 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.749 flat angles P-C4'-P energy: -2.503 tors. eta vs tors. theta energy: -2.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -23.155047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.155047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.155047 (E_RNA) where: Base-Base interactions energy: -7.526 where: short stacking energy: -7.526 Base-Backbone interact. energy: -0.040 local terms energy: -15.589739 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.539 flat angles P-C4'-P energy: -2.429 tors. eta vs tors. theta energy: -0.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -24.194619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.194619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.194619 (E_RNA) where: Base-Base interactions energy: -10.084 where: short stacking energy: -10.084 Base-Backbone interact. energy: -0.000 local terms energy: -14.110907 where: bonds (distance) C4'-P energy: -3.397 bonds (distance) P-C4' energy: -3.991 flat angles C4'-P-C4' energy: -3.178 flat angles P-C4'-P energy: -1.838 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: 8, replica: 1 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -20.458515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.458515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.458515 (E_RNA) where: Base-Base interactions energy: -4.254 where: short stacking energy: -4.254 Base-Backbone interact. energy: -0.000 local terms energy: -16.203872 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.839 flat angles C4'-P-C4' energy: -1.919 flat angles P-C4'-P energy: -3.131 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: 9, replica: 4 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -21.128506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.128506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.128506 (E_RNA) where: Base-Base interactions energy: -6.620 where: short stacking energy: -6.620 Base-Backbone interact. energy: -0.000 local terms energy: -14.508411 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -1.913 flat angles C4'-P-C4' energy: -3.721 flat angles P-C4'-P energy: -3.547 tors. eta vs tors. theta energy: -1.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -20.810815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.810815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.810815 (E_RNA) where: Base-Base interactions energy: -6.613 where: short stacking energy: -6.613 Base-Backbone interact. energy: -0.857 local terms energy: -13.340558 where: bonds (distance) C4'-P energy: -3.673 bonds (distance) P-C4' energy: -3.327 flat angles C4'-P-C4' energy: -4.440 flat angles P-C4'-P energy: -0.905 tors. eta vs tors. theta energy: -0.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -30.722650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.722650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.722650 (E_RNA) where: Base-Base interactions energy: -11.579 where: short stacking energy: -11.579 Base-Backbone interact. energy: -0.011 local terms energy: -19.132231 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.717 flat angles P-C4'-P energy: -3.545 tors. eta vs tors. theta energy: -2.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -30.600033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.600033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.600033 (E_RNA) where: Base-Base interactions energy: -12.463 where: short stacking energy: -12.463 Base-Backbone interact. energy: -0.004 local terms energy: -18.132821 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.575 flat angles P-C4'-P energy: -3.493 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: 3, replica: 7 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -25.176293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.176293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.176293 (E_RNA) where: Base-Base interactions energy: -8.762 where: short stacking energy: -8.966 Base-Backbone interact. energy: -0.006 local terms energy: -16.408955 where: bonds (distance) C4'-P energy: -3.939 bonds (distance) P-C4' energy: -4.416 flat angles C4'-P-C4' energy: -2.879 flat angles P-C4'-P energy: -2.854 tors. eta vs tors. theta energy: -2.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -27.100015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.100015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.100015 (E_RNA) where: Base-Base interactions energy: -8.001 where: short stacking energy: -8.001 Base-Backbone interact. energy: -0.000 local terms energy: -19.098639 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.299 flat angles P-C4'-P energy: -2.966 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: 5, replica: 10 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -23.976563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.976563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.976563 (E_RNA) where: Base-Base interactions energy: -6.944 where: short stacking energy: -6.944 Base-Backbone interact. energy: -0.101 local terms energy: -16.931463 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.438 flat angles P-C4'-P energy: -3.252 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: 6, replica: 5 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -24.340522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.340522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.340522 (E_RNA) where: Base-Base interactions energy: -8.101 where: short stacking energy: -8.101 Base-Backbone interact. energy: -0.014 local terms energy: -16.226399 where: bonds (distance) C4'-P energy: -4.039 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -4.604 flat angles P-C4'-P energy: -3.237 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: 7, replica: 1 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -24.778359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.778359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.778359 (E_RNA) where: Base-Base interactions energy: -8.014 where: short stacking energy: -8.014 Base-Backbone interact. energy: -0.047 local terms energy: -16.717375 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.086 flat angles P-C4'-P energy: -3.460 tors. eta vs tors. theta energy: -0.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -22.240851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.240851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.240851 (E_RNA) where: Base-Base interactions energy: -5.912 where: short stacking energy: -5.912 Base-Backbone interact. energy: -0.010 local terms energy: -16.318830 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.765 flat angles P-C4'-P energy: -1.811 tors. eta vs tors. theta energy: -0.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -20.028718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.028718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.028718 (E_RNA) where: Base-Base interactions energy: -6.969 where: short stacking energy: -6.969 Base-Backbone interact. energy: -0.004 local terms energy: -13.055263 where: bonds (distance) C4'-P energy: -2.896 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -0.984 flat angles P-C4'-P energy: -3.016 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: 4 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -22.918271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.918271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.918271 (E_RNA) where: Base-Base interactions energy: -6.113 where: short stacking energy: -6.113 Base-Backbone interact. energy: -0.000 local terms energy: -16.805205 where: bonds (distance) C4'-P energy: -4.009 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.461 flat angles P-C4'-P energy: -3.266 tors. eta vs tors. theta energy: -1.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -29.587425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.587425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.587425 (E_RNA) where: Base-Base interactions energy: -11.800 where: short stacking energy: -11.800 Base-Backbone interact. energy: -0.000 local terms energy: -17.786982 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.471 flat angles P-C4'-P energy: -2.476 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: 261 Temperature: 0.950000 Total energy: -27.593043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.593043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.593043 (E_RNA) where: Base-Base interactions energy: -8.390 where: short stacking energy: -8.390 Base-Backbone interact. energy: 0.045 local terms energy: -19.248691 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.132 flat angles P-C4'-P energy: -2.817 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: 3, replica: 2 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -26.474548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.474548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.474548 (E_RNA) where: Base-Base interactions energy: -8.459 where: short stacking energy: -8.459 Base-Backbone interact. energy: -0.004 local terms energy: -18.011757 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.467 flat angles P-C4'-P energy: -3.185 tors. eta vs tors. theta energy: -0.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -26.555038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.555038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.555038 (E_RNA) where: Base-Base interactions energy: -8.051 where: short stacking energy: -8.051 Base-Backbone interact. energy: 1.487 local terms energy: -19.990707 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.839 flat angles C4'-P-C4' energy: -4.334 flat angles P-C4'-P energy: -3.097 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: 5, replica: 6 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -22.055424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.055424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.055424 (E_RNA) where: Base-Base interactions energy: -7.276 where: short stacking energy: -7.374 Base-Backbone interact. energy: -0.008 local terms energy: -14.770797 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -3.131 flat angles C4'-P-C4' energy: -4.098 flat angles P-C4'-P energy: -3.240 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: 6, replica: 1 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -23.206529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.206529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.206529 (E_RNA) where: Base-Base interactions energy: -7.116 where: short stacking energy: -7.116 Base-Backbone interact. energy: -0.000 local terms energy: -16.090466 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -2.696 flat angles P-C4'-P energy: -2.603 tors. eta vs tors. theta energy: -1.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -23.953202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.953202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.953202 (E_RNA) where: Base-Base interactions energy: -9.433 where: short stacking energy: -9.433 Base-Backbone interact. energy: -0.000 local terms energy: -14.520362 where: bonds (distance) C4'-P energy: -2.387 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -3.419 flat angles P-C4'-P energy: -2.002 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: 8, replica: 8 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -23.197618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.197618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.197618 (E_RNA) where: Base-Base interactions energy: -7.763 where: short stacking energy: -7.763 Base-Backbone interact. energy: -0.000 local terms energy: -15.434391 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.283 flat angles P-C4'-P energy: -2.105 tors. eta vs tors. theta energy: -2.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -22.427814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.427814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.427814 (E_RNA) where: Base-Base interactions energy: -7.852 where: short stacking energy: -7.852 Base-Backbone interact. energy: -0.006 local terms energy: -14.570065 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -3.131 flat angles C4'-P-C4' energy: -3.970 flat angles P-C4'-P energy: -1.585 tors. eta vs tors. theta energy: -1.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -22.960922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.960922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.960922 (E_RNA) where: Base-Base interactions energy: -8.227 where: short stacking energy: -8.227 Base-Backbone interact. energy: -0.001 local terms energy: -14.733419 where: bonds (distance) C4'-P energy: -3.433 bonds (distance) P-C4' energy: -3.518 flat angles C4'-P-C4' energy: -3.769 flat angles P-C4'-P energy: -3.222 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: 1, replica: 7 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -29.389796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.389796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.389796 (E_RNA) where: Base-Base interactions energy: -10.109 where: short stacking energy: -10.109 Base-Backbone interact. energy: -0.000 local terms energy: -19.280430 where: bonds (distance) C4'-P energy: -4.233 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.817 flat angles P-C4'-P energy: -3.007 tors. eta vs tors. theta energy: -2.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -23.816344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.816344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.816344 (E_RNA) where: Base-Base interactions energy: -6.936 where: short stacking energy: -6.936 Base-Backbone interact. energy: -0.004 local terms energy: -16.876628 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.025 flat angles P-C4'-P energy: -3.065 tors. eta vs tors. theta energy: -0.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -25.621707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.621707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.621707 (E_RNA) where: Base-Base interactions energy: -5.561 where: short stacking energy: -5.561 Base-Backbone interact. energy: -0.000 local terms energy: -20.060499 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -3.815 flat angles P-C4'-P energy: -3.873 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: 4, replica: 2 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -24.545915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.545915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.545915 (E_RNA) where: Base-Base interactions energy: -10.909 where: short stacking energy: -10.909 Base-Backbone interact. energy: -0.000 local terms energy: -13.636396 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -0.911 flat angles P-C4'-P energy: -1.918 tors. eta vs tors. theta energy: -2.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -22.876602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.876602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.876602 (E_RNA) where: Base-Base interactions energy: -7.332 where: short stacking energy: -7.332 Base-Backbone interact. energy: -0.001 local terms energy: -15.543615 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.130 flat angles P-C4'-P energy: -1.287 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: 6, replica: 6 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -26.465737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.465737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.465737 (E_RNA) where: Base-Base interactions energy: -9.205 where: short stacking energy: -9.205 Base-Backbone interact. energy: -0.000 local terms energy: -17.259803 where: bonds (distance) C4'-P energy: -1.608 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -3.873 flat angles P-C4'-P energy: -2.956 tors. eta vs tors. theta energy: -4.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -24.500833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.500833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.500833 (E_RNA) where: Base-Base interactions energy: -5.025 where: short stacking energy: -5.025 Base-Backbone interact. energy: -0.000 local terms energy: -19.475351 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -4.569 flat angles C4'-P-C4' energy: -3.938 flat angles P-C4'-P energy: -4.006 tors. eta vs tors. theta energy: -2.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -22.662316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.662316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.662316 (E_RNA) where: Base-Base interactions energy: -6.614 where: short stacking energy: -6.614 Base-Backbone interact. energy: -0.008 local terms energy: -16.039635 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -4.867 flat angles C4'-P-C4' energy: -3.817 flat angles P-C4'-P energy: -2.168 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: 4 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -21.226529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.226529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.226529 (E_RNA) where: Base-Base interactions energy: -7.285 where: short stacking energy: -7.285 Base-Backbone interact. energy: 0.066 local terms energy: -14.006712 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -2.029 flat angles C4'-P-C4' energy: -4.681 flat angles P-C4'-P energy: -3.644 tors. eta vs tors. theta energy: 0.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -19.739997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.739997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.739997 (E_RNA) where: Base-Base interactions energy: -3.927 where: short stacking energy: 0.000 Base-Backbone interact. energy: -0.094 local terms energy: -15.718671 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.560 flat angles P-C4'-P energy: -3.644 tors. eta vs tors. theta energy: 1.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -26.080798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.080798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.080798 (E_RNA) where: Base-Base interactions energy: -7.608 where: short stacking energy: -7.608 Base-Backbone interact. energy: -0.000 local terms energy: -18.472481 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -2.638 flat angles P-C4'-P energy: -3.689 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: 2, replica: 10 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -24.933102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.933102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.933102 (E_RNA) where: Base-Base interactions energy: -6.794 where: short stacking energy: -6.794 Base-Backbone interact. energy: -0.001 local terms energy: -18.137931 where: bonds (distance) C4'-P energy: -2.975 bonds (distance) P-C4' energy: -4.441 flat angles C4'-P-C4' energy: -4.801 flat angles P-C4'-P energy: -3.244 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: 3, replica: 9 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -26.237867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.237867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.237867 (E_RNA) where: Base-Base interactions energy: -8.454 where: short stacking energy: -8.454 Base-Backbone interact. energy: -0.000 local terms energy: -17.783814 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -4.201 flat angles P-C4'-P energy: -1.511 tors. eta vs tors. theta energy: -3.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -24.270181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.270181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.270181 (E_RNA) where: Base-Base interactions energy: -7.154 where: short stacking energy: -7.154 Base-Backbone interact. energy: -0.001 local terms energy: -17.115932 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.165 flat angles P-C4'-P energy: -3.441 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: 5, replica: 2 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -26.862683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.862683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.862683 (E_RNA) where: Base-Base interactions energy: -10.340 where: short stacking energy: -10.340 Base-Backbone interact. energy: -0.000 local terms energy: -16.522275 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -3.656 flat angles C4'-P-C4' energy: -2.810 flat angles P-C4'-P energy: -2.655 tors. eta vs tors. theta energy: -3.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -22.658171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.658171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.658171 (E_RNA) where: Base-Base interactions energy: -6.125 where: short stacking energy: -6.125 Base-Backbone interact. energy: -0.009 local terms energy: -16.523977 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.220 flat angles P-C4'-P energy: -2.558 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: 7, replica: 6 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -28.661138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.661138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.661138 (E_RNA) where: Base-Base interactions energy: -10.636 where: short stacking energy: -10.636 Base-Backbone interact. energy: -0.000 local terms energy: -18.024711 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.799 flat angles P-C4'-P energy: -3.126 tors. eta vs tors. theta energy: -2.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -21.468153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.468153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.468153 (E_RNA) where: Base-Base interactions energy: -7.490 where: short stacking energy: -7.490 Base-Backbone interact. energy: -0.009 local terms energy: -13.969195 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -1.702 flat angles P-C4'-P energy: -3.137 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: 5 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -23.297619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.297619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.297619 (E_RNA) where: Base-Base interactions energy: -6.880 where: short stacking energy: -6.880 Base-Backbone interact. energy: -0.000 local terms energy: -16.417271 where: bonds (distance) C4'-P energy: -3.861 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -2.252 flat angles P-C4'-P energy: -3.521 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: 10, replica: 3 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -23.704360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.704360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.704360 (E_RNA) where: Base-Base interactions energy: -4.006 where: short stacking energy: -4.152 Base-Backbone interact. energy: -0.000 local terms energy: -19.698727 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.889 flat angles P-C4'-P energy: -2.989 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: 1, replica: 7 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -29.034355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.034355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.034355 (E_RNA) where: Base-Base interactions energy: -11.958 where: short stacking energy: -11.958 Base-Backbone interact. energy: -0.000 local terms energy: -17.076745 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.025 flat angles P-C4'-P energy: -1.849 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: 10 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -28.623153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.623153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.623153 (E_RNA) where: Base-Base interactions energy: -10.760 where: short stacking energy: -10.760 Base-Backbone interact. energy: -0.000 local terms energy: -17.863176 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -3.821 flat angles C4'-P-C4' energy: -3.386 flat angles P-C4'-P energy: -3.140 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: 3, replica: 1 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -26.535610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.535610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.535610 (E_RNA) where: Base-Base interactions energy: -7.424 where: short stacking energy: -7.424 Base-Backbone interact. energy: -0.000 local terms energy: -19.111381 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.456 flat angles P-C4'-P energy: -2.506 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: 4, replica: 9 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -28.905761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.905761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.905761 (E_RNA) where: Base-Base interactions energy: -12.196 where: short stacking energy: -12.196 Base-Backbone interact. energy: -0.000 local terms energy: -16.709240 where: bonds (distance) C4'-P energy: -2.510 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.084 flat angles P-C4'-P energy: -2.426 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: 5, replica: 2 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -25.592349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.592349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.592349 (E_RNA) where: Base-Base interactions energy: -7.228 where: short stacking energy: -7.228 Base-Backbone interact. energy: -0.000 local terms energy: -18.364005 where: bonds (distance) C4'-P energy: -3.479 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -2.453 flat angles P-C4'-P energy: -3.777 tors. eta vs tors. theta energy: -3.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -24.361094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.361094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.361094 (E_RNA) where: Base-Base interactions energy: -5.063 where: short stacking energy: -5.063 Base-Backbone interact. energy: -0.000 local terms energy: -19.298422 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.271 flat angles P-C4'-P energy: -2.788 tors. eta vs tors. theta energy: -3.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -22.061508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.061508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.061508 (E_RNA) where: Base-Base interactions energy: -7.250 where: short stacking energy: -7.250 Base-Backbone interact. energy: -0.002 local terms energy: -14.809405 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -2.923 flat angles P-C4'-P energy: -1.886 tors. eta vs tors. theta energy: -1.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -23.281853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.281853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.281853 (E_RNA) where: Base-Base interactions energy: -7.716 where: short stacking energy: -7.716 Base-Backbone interact. energy: -0.000 local terms energy: -15.565531 where: bonds (distance) C4'-P energy: -2.299 bonds (distance) P-C4' energy: -4.180 flat angles C4'-P-C4' energy: -4.455 flat angles P-C4'-P energy: -1.565 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: 3 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -20.941151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.941151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.941151 (E_RNA) where: Base-Base interactions energy: -4.078 where: short stacking energy: -4.078 Base-Backbone interact. energy: -0.000 local terms energy: -16.862944 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -2.951 flat angles P-C4'-P energy: -1.257 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: 10, replica: 5 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -20.504228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.504228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.504228 (E_RNA) where: Base-Base interactions energy: -6.389 where: short stacking energy: -6.389 Base-Backbone interact. energy: -0.021 local terms energy: -14.094820 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.180 flat angles C4'-P-C4' energy: -2.864 flat angles P-C4'-P energy: -2.386 tors. eta vs tors. theta energy: -0.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -25.165443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.165443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.165443 (E_RNA) where: Base-Base interactions energy: -8.960 where: short stacking energy: -8.960 Base-Backbone interact. energy: -0.000 local terms energy: -16.205182 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -2.883 flat angles P-C4'-P energy: -2.206 tors. eta vs tors. theta energy: -1.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -25.520871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.520871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.520871 (E_RNA) where: Base-Base interactions energy: -6.722 where: short stacking energy: -6.722 Base-Backbone interact. energy: -0.069 local terms energy: -18.729495 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.516 flat angles P-C4'-P energy: -3.901 tors. eta vs tors. theta energy: -1.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -25.570690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.570690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.570690 (E_RNA) where: Base-Base interactions energy: -8.732 where: short stacking energy: -8.732 Base-Backbone interact. energy: -0.000 local terms energy: -16.838085 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -3.891 flat angles C4'-P-C4' energy: -3.942 flat angles P-C4'-P energy: -1.035 tors. eta vs tors. theta energy: -3.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -28.671776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.671776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.671776 (E_RNA) where: Base-Base interactions energy: -10.652 where: short stacking energy: -10.652 Base-Backbone interact. energy: -0.000 local terms energy: -18.019375 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.629 flat angles P-C4'-P energy: -2.255 tors. eta vs tors. theta energy: -2.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -26.544180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.544180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.544180 (E_RNA) where: Base-Base interactions energy: -7.870 where: short stacking energy: -7.870 Base-Backbone interact. energy: -0.000 local terms energy: -18.674389 where: bonds (distance) C4'-P energy: -3.708 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.592 flat angles P-C4'-P energy: -3.066 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: 4 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -22.080622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.080622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.080622 (E_RNA) where: Base-Base interactions energy: -3.943 where: short stacking energy: -3.943 Base-Backbone interact. energy: -0.004 local terms energy: -18.133913 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.397 flat angles P-C4'-P energy: -3.531 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: 8 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -23.486238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.486238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.486238 (E_RNA) where: Base-Base interactions energy: -7.567 where: short stacking energy: -7.567 Base-Backbone interact. energy: -0.100 local terms energy: -15.819512 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -3.443 flat angles P-C4'-P energy: -2.868 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: 8, replica: 3 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -22.814773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.814773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.814773 (E_RNA) where: Base-Base interactions energy: -4.678 where: short stacking energy: -4.678 Base-Backbone interact. energy: -0.000 local terms energy: -18.136399 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.613 flat angles P-C4'-P energy: -3.892 tors. eta vs tors. theta energy: -1.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -23.129305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.129305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.129305 (E_RNA) where: Base-Base interactions energy: -6.709 where: short stacking energy: -6.709 Base-Backbone interact. energy: -0.086 local terms energy: -16.334125 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.106 flat angles C4'-P-C4' energy: -3.007 flat angles P-C4'-P energy: -3.492 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: 10, replica: 5 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -22.847941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.847941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.847941 (E_RNA) where: Base-Base interactions energy: -6.566 where: short stacking energy: -6.566 Base-Backbone interact. energy: -0.000 local terms energy: -16.282295 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.139 flat angles P-C4'-P energy: -0.761 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: 1, replica: 1 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -28.826379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.826379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.826379 (E_RNA) where: Base-Base interactions energy: -10.116 where: short stacking energy: -10.513 Base-Backbone interact. energy: -0.001 local terms energy: -18.709429 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -4.349 flat angles P-C4'-P energy: -2.489 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: 7 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -29.600497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.600497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.600497 (E_RNA) where: Base-Base interactions energy: -10.109 where: short stacking energy: -10.109 Base-Backbone interact. energy: -0.003 local terms energy: -19.488560 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.451 flat angles P-C4'-P energy: -2.940 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: 3, replica: 2 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -24.765155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.765155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.765155 (E_RNA) where: Base-Base interactions energy: -6.751 where: short stacking energy: -6.751 Base-Backbone interact. energy: -0.001 local terms energy: -18.013537 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -3.981 flat angles C4'-P-C4' energy: -3.587 flat angles P-C4'-P energy: -2.560 tors. eta vs tors. theta energy: -3.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -25.666157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.666157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.666157 (E_RNA) where: Base-Base interactions energy: -7.543 where: short stacking energy: -7.918 Base-Backbone interact. energy: -0.849 local terms energy: -17.274313 where: bonds (distance) C4'-P energy: -3.380 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.888 flat angles P-C4'-P energy: -3.356 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: 5, replica: 4 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -25.739461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.739461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.739461 (E_RNA) where: Base-Base interactions energy: -8.679 where: short stacking energy: -8.679 Base-Backbone interact. energy: -0.004 local terms energy: -17.056380 where: bonds (distance) C4'-P energy: -2.842 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.640 flat angles P-C4'-P energy: -1.975 tors. eta vs tors. theta energy: -2.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -23.406986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.406986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.406986 (E_RNA) where: Base-Base interactions energy: -7.648 where: short stacking energy: -7.648 Base-Backbone interact. energy: -0.040 local terms energy: -15.718863 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -3.984 flat angles C4'-P-C4' energy: -4.282 flat angles P-C4'-P energy: -2.617 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: 7, replica: 3 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -27.974315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.974315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.974315 (E_RNA) where: Base-Base interactions energy: -7.540 where: short stacking energy: -7.540 Base-Backbone interact. energy: -0.000 local terms energy: -20.434545 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -2.841 flat angles P-C4'-P energy: -3.892 tors. eta vs tors. theta energy: -4.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -21.359841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.359841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.359841 (E_RNA) where: Base-Base interactions energy: -7.700 where: short stacking energy: -7.700 Base-Backbone interact. energy: -0.013 local terms energy: -13.647231 where: bonds (distance) C4'-P energy: -0.573 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.165 flat angles P-C4'-P energy: -2.892 tors. eta vs tors. theta energy: -0.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -21.046555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.046555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.046555 (E_RNA) where: Base-Base interactions energy: -6.898 where: short stacking energy: -6.898 Base-Backbone interact. energy: -0.100 local terms energy: -14.048676 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -1.429 flat angles P-C4'-P energy: -1.862 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: 10, replica: 6 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -20.768665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.768665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.768665 (E_RNA) where: Base-Base interactions energy: -3.656 where: short stacking energy: -3.656 Base-Backbone interact. energy: -0.001 local terms energy: -17.111874 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.193 flat angles P-C4'-P energy: -2.101 tors. eta vs tors. theta energy: -2.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -29.797329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.797329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.797329 (E_RNA) where: Base-Base interactions energy: -10.800 where: short stacking energy: -10.800 Base-Backbone interact. energy: -0.002 local terms energy: -18.995240 where: bonds (distance) C4'-P energy: -3.683 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -4.481 flat angles P-C4'-P energy: -3.177 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: 2 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -25.174645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.174645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.174645 (E_RNA) where: Base-Base interactions energy: -7.393 where: short stacking energy: -7.393 Base-Backbone interact. energy: -0.035 local terms energy: -17.746894 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.534 flat angles P-C4'-P energy: -1.612 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: 3, replica: 7 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -26.463548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.463548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.463548 (E_RNA) where: Base-Base interactions energy: -9.036 where: short stacking energy: -9.036 Base-Backbone interact. energy: -0.007 local terms energy: -17.421145 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.364 flat angles P-C4'-P energy: -1.960 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: 4, replica: 4 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -21.929913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.929913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.929913 (E_RNA) where: Base-Base interactions energy: -6.372 where: short stacking energy: -6.372 Base-Backbone interact. energy: -0.029 local terms energy: -15.528645 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -2.716 flat angles P-C4'-P energy: -3.440 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: 267 Temperature: 1.100000 Total energy: -25.629713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.629713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.629713 (E_RNA) where: Base-Base interactions energy: -7.429 where: short stacking energy: -7.429 Base-Backbone interact. energy: -0.003 local terms energy: -18.196984 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -3.336 flat angles C4'-P-C4' energy: -4.186 flat angles P-C4'-P energy: -3.873 tors. eta vs tors. theta energy: -3.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -23.990616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.990616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.990616 (E_RNA) where: Base-Base interactions energy: -7.286 where: short stacking energy: -7.286 Base-Backbone interact. energy: -0.000 local terms energy: -16.704789 where: bonds (distance) C4'-P energy: -3.575 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.281 flat angles P-C4'-P energy: -1.592 tors. eta vs tors. theta energy: -2.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -25.084409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.084409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.084409 (E_RNA) where: Base-Base interactions energy: -7.448 where: short stacking energy: -7.448 Base-Backbone interact. energy: -0.000 local terms energy: -17.636442 where: bonds (distance) C4'-P energy: -3.344 bonds (distance) P-C4' energy: -4.395 flat angles C4'-P-C4' energy: -3.501 flat angles P-C4'-P energy: -2.563 tors. eta vs tors. theta energy: -3.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -19.930812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.930812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.930812 (E_RNA) where: Base-Base interactions energy: -3.581 where: short stacking energy: -3.581 Base-Backbone interact. energy: -0.044 local terms energy: -16.305090 where: bonds (distance) C4'-P energy: -3.301 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.574 flat angles P-C4'-P energy: -3.116 tors. eta vs tors. theta energy: -0.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -19.730350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.730350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.730350 (E_RNA) where: Base-Base interactions energy: -2.748 where: short stacking energy: -2.748 Base-Backbone interact. energy: -0.010 local terms energy: -16.972309 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.244 flat angles P-C4'-P energy: -3.245 tors. eta vs tors. theta energy: -0.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -22.608270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.608270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.608270 (E_RNA) where: Base-Base interactions energy: -6.846 where: short stacking energy: -6.846 Base-Backbone interact. energy: -0.001 local terms energy: -15.761447 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -3.367 flat angles C4'-P-C4' energy: -4.578 flat angles P-C4'-P energy: -0.379 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: 1, replica: 2 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -23.043281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.043281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.043281 (E_RNA) where: Base-Base interactions energy: -5.920 where: short stacking energy: -5.920 Base-Backbone interact. energy: -0.000 local terms energy: -17.123055 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.180 flat angles C4'-P-C4' energy: -3.566 flat angles P-C4'-P energy: -3.814 tors. eta vs tors. theta energy: -1.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -30.840648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.840648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.840648 (E_RNA) where: Base-Base interactions energy: -9.998 where: short stacking energy: -9.998 Base-Backbone interact. energy: -0.000 local terms energy: -20.842483 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.731 flat angles P-C4'-P energy: -2.263 tors. eta vs tors. theta energy: -4.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -27.416281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.416281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.416281 (E_RNA) where: Base-Base interactions energy: -7.528 where: short stacking energy: -7.528 Base-Backbone interact. energy: -0.000 local terms energy: -19.888520 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.786 flat angles P-C4'-P energy: -2.775 tors. eta vs tors. theta energy: -3.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -23.863112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.863112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.863112 (E_RNA) where: Base-Base interactions energy: -6.530 where: short stacking energy: -6.530 Base-Backbone interact. energy: -0.605 local terms energy: -16.727383 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.699 flat angles P-C4'-P energy: -3.001 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: 5, replica: 3 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -25.646060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.646060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.646060 (E_RNA) where: Base-Base interactions energy: -8.495 where: short stacking energy: -8.495 Base-Backbone interact. energy: -0.032 local terms energy: -17.119902 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -5.104 flat angles C4'-P-C4' energy: -2.983 flat angles P-C4'-P energy: -2.913 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: 10 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -22.383642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.383642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.383642 (E_RNA) where: Base-Base interactions energy: -8.612 where: short stacking energy: -8.612 Base-Backbone interact. energy: -0.000 local terms energy: -13.771246 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -3.557 flat angles C4'-P-C4' energy: -4.256 flat angles P-C4'-P energy: -0.868 tors. eta vs tors. theta energy: -1.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -25.551911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.551911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.551911 (E_RNA) where: Base-Base interactions energy: -10.882 where: short stacking energy: -10.882 Base-Backbone interact. energy: -0.000 local terms energy: -14.669820 where: bonds (distance) C4'-P energy: -2.576 bonds (distance) P-C4' energy: -2.652 flat angles C4'-P-C4' energy: -3.852 flat angles P-C4'-P energy: -2.030 tors. eta vs tors. theta energy: -3.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -23.904410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.904410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.904410 (E_RNA) where: Base-Base interactions energy: -3.416 where: short stacking energy: -3.416 Base-Backbone interact. energy: -0.000 local terms energy: -20.488781 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.712 flat angles P-C4'-P energy: -3.205 tors. eta vs tors. theta energy: -2.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -20.544471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.544471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.544471 (E_RNA) where: Base-Base interactions energy: -6.419 where: short stacking energy: -6.419 Base-Backbone interact. energy: -0.001 local terms energy: -14.124422 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -3.659 flat angles C4'-P-C4' energy: -3.087 flat angles P-C4'-P energy: -2.137 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: 10, replica: 8 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -25.975966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.975966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.975966 (E_RNA) where: Base-Base interactions energy: -9.061 where: short stacking energy: -9.061 Base-Backbone interact. energy: -0.001 local terms energy: -16.913564 where: bonds (distance) C4'-P energy: -3.148 bonds (distance) P-C4' energy: -4.345 flat angles C4'-P-C4' energy: -4.661 flat angles P-C4'-P energy: -2.772 tors. eta vs tors. theta energy: -1.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -26.685620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.685620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.685620 (E_RNA) where: Base-Base interactions energy: -7.165 where: short stacking energy: -7.165 Base-Backbone interact. energy: -0.000 local terms energy: -19.520556 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.839 flat angles P-C4'-P energy: -0.995 tors. eta vs tors. theta energy: -5.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -26.950658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.950658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.950658 (E_RNA) where: Base-Base interactions energy: -8.010 where: short stacking energy: -8.010 Base-Backbone interact. energy: -0.006 local terms energy: -18.935266 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.632 flat angles P-C4'-P energy: -3.976 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: 3, replica: 1 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -26.810436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.810436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.810436 (E_RNA) where: Base-Base interactions energy: -9.265 where: short stacking energy: -9.265 Base-Backbone interact. energy: -0.000 local terms energy: -17.545259 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.468 flat angles P-C4'-P energy: -1.409 tors. eta vs tors. theta energy: -2.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -24.824946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.824946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.824946 (E_RNA) where: Base-Base interactions energy: -8.017 where: short stacking energy: -8.017 Base-Backbone interact. energy: -0.000 local terms energy: -16.807725 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -3.628 flat angles C4'-P-C4' energy: -3.689 flat angles P-C4'-P energy: -3.929 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: 5, replica: 7 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -27.585535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.585535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.585535 (E_RNA) where: Base-Base interactions energy: -10.007 where: short stacking energy: -10.007 Base-Backbone interact. energy: -0.000 local terms energy: -17.578348 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.573 flat angles P-C4'-P energy: -1.542 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: 5 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -24.791583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.791583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.791583 (E_RNA) where: Base-Base interactions energy: -6.717 where: short stacking energy: -6.717 Base-Backbone interact. energy: -0.000 local terms energy: -18.074818 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.169 flat angles P-C4'-P energy: -2.158 tors. eta vs tors. theta energy: -3.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -22.240947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.240947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.240947 (E_RNA) where: Base-Base interactions energy: -5.436 where: short stacking energy: -5.436 Base-Backbone interact. energy: -0.192 local terms energy: -16.613222 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -4.152 flat angles C4'-P-C4' energy: -4.449 flat angles P-C4'-P energy: -2.783 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: 8, replica: 6 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -21.736066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.736066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.736066 (E_RNA) where: Base-Base interactions energy: -3.302 where: short stacking energy: -3.302 Base-Backbone interact. energy: -0.038 local terms energy: -18.395618 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.202 flat angles P-C4'-P energy: -3.072 tors. eta vs tors. theta energy: -1.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -18.576591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.576591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.576591 (E_RNA) where: Base-Base interactions energy: -6.967 where: short stacking energy: -6.967 Base-Backbone interact. energy: -0.000 local terms energy: -11.609138 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.395 flat angles P-C4'-P energy: 0.917 tors. eta vs tors. theta energy: -0.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -19.563404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.563404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.563404 (E_RNA) where: Base-Base interactions energy: -4.149 where: short stacking energy: -4.149 Base-Backbone interact. energy: -0.000 local terms energy: -15.413803 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -3.131 flat angles C4'-P-C4' energy: -4.135 flat angles P-C4'-P energy: -1.559 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: 1, replica: 4 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -25.099330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.099330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.099330 (E_RNA) where: Base-Base interactions energy: -6.713 where: short stacking energy: -6.713 Base-Backbone interact. energy: -0.002 local terms energy: -18.384225 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.459 flat angles P-C4'-P energy: -2.738 tors. eta vs tors. theta energy: -1.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -29.533408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.533408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.533408 (E_RNA) where: Base-Base interactions energy: -9.856 where: short stacking energy: -9.856 Base-Backbone interact. energy: -0.000 local terms energy: -19.677565 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: -3.110 tors. eta vs tors. theta energy: -2.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -23.304542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.304542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.304542 (E_RNA) where: Base-Base interactions energy: -5.555 where: short stacking energy: -5.555 Base-Backbone interact. energy: 0.048 local terms energy: -17.798032 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.523 flat angles P-C4'-P energy: -2.348 tors. eta vs tors. theta energy: -2.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -27.188093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.188093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.188093 (E_RNA) where: Base-Base interactions energy: -8.993 where: short stacking energy: -8.993 Base-Backbone interact. energy: -0.000 local terms energy: -18.195321 where: bonds (distance) C4'-P energy: -3.799 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.452 flat angles P-C4'-P energy: -3.652 tors. eta vs tors. theta energy: -2.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -27.334421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.334421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.334421 (E_RNA) where: Base-Base interactions energy: -8.550 where: short stacking energy: -8.550 Base-Backbone interact. energy: -0.000 local terms energy: -18.783888 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -2.978 flat angles P-C4'-P energy: -3.035 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: 7 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -23.094637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.094637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.094637 (E_RNA) where: Base-Base interactions energy: -6.931 where: short stacking energy: -6.931 Base-Backbone interact. energy: -0.000 local terms energy: -16.164115 where: bonds (distance) C4'-P energy: -2.672 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -4.522 flat angles P-C4'-P energy: -1.655 tors. eta vs tors. theta energy: -2.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -21.838703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.838703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.838703 (E_RNA) where: Base-Base interactions energy: -4.197 where: short stacking energy: -4.197 Base-Backbone interact. energy: -0.070 local terms energy: -17.571276 where: bonds (distance) C4'-P energy: -3.823 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.514 flat angles P-C4'-P energy: -3.632 tors. eta vs tors. theta energy: -0.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -20.398529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.398529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.398529 (E_RNA) where: Base-Base interactions energy: -2.973 where: short stacking energy: -2.973 Base-Backbone interact. energy: -0.000 local terms energy: -17.425612 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -3.658 flat angles P-C4'-P energy: -2.808 tors. eta vs tors. theta energy: -1.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -17.904638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.904638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.904638 (E_RNA) where: Base-Base interactions energy: -4.103 where: short stacking energy: -4.103 Base-Backbone interact. energy: -0.002 local terms energy: -13.799364 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.655 flat angles P-C4'-P energy: -1.940 tors. eta vs tors. theta energy: 1.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -22.367487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.367487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.367487 (E_RNA) where: Base-Base interactions energy: -4.499 where: short stacking energy: -4.499 Base-Backbone interact. energy: -0.040 local terms energy: -17.828580 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -3.383 flat angles P-C4'-P energy: -2.547 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: 1, replica: 4 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -28.764401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.764401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.764401 (E_RNA) where: Base-Base interactions energy: -12.727 where: short stacking energy: -12.727 Base-Backbone interact. energy: -0.010 local terms energy: -16.027914 where: bonds (distance) C4'-P energy: -3.947 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -2.807 flat angles P-C4'-P energy: -3.362 tors. eta vs tors. theta energy: -0.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -23.233788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.233788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.233788 (E_RNA) where: Base-Base interactions energy: -4.838 where: short stacking energy: -4.838 Base-Backbone interact. energy: -0.000 local terms energy: -18.395508 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.553 flat angles C4'-P-C4' energy: -3.992 flat angles P-C4'-P energy: -3.665 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: 3, replica: 2 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -26.711221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.711221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.711221 (E_RNA) where: Base-Base interactions energy: -9.188 where: short stacking energy: -9.188 Base-Backbone interact. energy: -0.000 local terms energy: -17.523610 where: bonds (distance) C4'-P energy: -3.637 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -3.592 flat angles P-C4'-P energy: -2.896 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: 4, replica: 5 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -25.768905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.768905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.768905 (E_RNA) where: Base-Base interactions energy: -7.379 where: short stacking energy: -7.379 Base-Backbone interact. energy: -0.003 local terms energy: -18.387557 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.942 flat angles P-C4'-P energy: -3.051 tors. eta vs tors. theta energy: -1.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -24.855965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.855965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.855965 (E_RNA) where: Base-Base interactions energy: -7.428 where: short stacking energy: -7.428 Base-Backbone interact. energy: -0.000 local terms energy: -17.428120 where: bonds (distance) C4'-P energy: -3.070 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -4.066 flat angles P-C4'-P energy: -2.550 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: 6, replica: 6 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -21.424909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.424909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.424909 (E_RNA) where: Base-Base interactions energy: -5.911 where: short stacking energy: -5.911 Base-Backbone interact. energy: -0.001 local terms energy: -15.512763 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -3.811 flat angles C4'-P-C4' energy: -3.593 flat angles P-C4'-P energy: -3.564 tors. eta vs tors. theta energy: -0.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -23.542218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.542218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.542218 (E_RNA) where: Base-Base interactions energy: -7.261 where: short stacking energy: -7.261 Base-Backbone interact. energy: -0.000 local terms energy: -16.281156 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.678 flat angles P-C4'-P energy: -2.931 tors. eta vs tors. theta energy: 0.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -22.598253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.598253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.598253 (E_RNA) where: Base-Base interactions energy: -6.568 where: short stacking energy: -6.568 Base-Backbone interact. energy: -0.022 local terms energy: -16.008278 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.084 flat angles C4'-P-C4' energy: -3.656 flat angles P-C4'-P energy: -3.304 tors. eta vs tors. theta energy: -0.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -23.661576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.661576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.661576 (E_RNA) where: Base-Base interactions energy: -7.494 where: short stacking energy: -7.494 Base-Backbone interact. energy: -0.000 local terms energy: -16.167931 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -2.870 flat angles C4'-P-C4' energy: -3.898 flat angles P-C4'-P energy: -1.541 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: 10, replica: 9 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -20.513378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.513378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.513378 (E_RNA) where: Base-Base interactions energy: -4.747 where: short stacking energy: -4.747 Base-Backbone interact. energy: -0.058 local terms energy: -15.708101 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.243 flat angles P-C4'-P energy: -1.942 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: 1, replica: 1 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -28.797816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.797816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.797816 (E_RNA) where: Base-Base interactions energy: -11.609 where: short stacking energy: -11.609 Base-Backbone interact. energy: -0.000 local terms energy: -17.188698 where: bonds (distance) C4'-P energy: -3.414 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -4.046 flat angles P-C4'-P energy: -2.583 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: 2, replica: 4 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -28.843914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.843914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.843914 (E_RNA) where: Base-Base interactions energy: -9.650 where: short stacking energy: -9.650 Base-Backbone interact. energy: -0.000 local terms energy: -19.194059 where: bonds (distance) C4'-P energy: -4.009 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -2.938 flat angles P-C4'-P energy: -2.725 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: 3, replica: 5 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -25.266306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.266306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.266306 (E_RNA) where: Base-Base interactions energy: -7.733 where: short stacking energy: -7.733 Base-Backbone interact. energy: -0.000 local terms energy: -17.533274 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.887 flat angles P-C4'-P energy: -2.923 tors. eta vs tors. theta energy: -1.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -20.780663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.780663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.780663 (E_RNA) where: Base-Base interactions energy: -5.657 where: short stacking energy: -5.657 Base-Backbone interact. energy: -0.083 local terms energy: -15.040637 where: bonds (distance) C4'-P energy: -1.968 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -4.207 flat angles P-C4'-P energy: -2.866 tors. eta vs tors. theta energy: -1.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -22.531676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.531676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.531676 (E_RNA) where: Base-Base interactions energy: -7.755 where: short stacking energy: -7.755 Base-Backbone interact. energy: -0.000 local terms energy: -14.776457 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -2.074 flat angles P-C4'-P energy: -1.406 tors. eta vs tors. theta energy: -1.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -24.524307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.524307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.524307 (E_RNA) where: Base-Base interactions energy: -5.464 where: short stacking energy: -5.464 Base-Backbone interact. energy: -0.000 local terms energy: -19.060168 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.813 flat angles P-C4'-P energy: -3.655 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: 7, replica: 8 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -22.071002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.071002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.071002 (E_RNA) where: Base-Base interactions energy: -3.816 where: short stacking energy: -4.061 Base-Backbone interact. energy: -0.100 local terms energy: -18.154969 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.124 flat angles P-C4'-P energy: -3.362 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: 8, replica: 7 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -24.052877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.052877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.052877 (E_RNA) where: Base-Base interactions energy: -8.133 where: short stacking energy: -8.133 Base-Backbone interact. energy: -0.031 local terms energy: -15.889380 where: bonds (distance) C4'-P energy: -2.892 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -4.064 flat angles P-C4'-P energy: -3.326 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: 9 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -23.034303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.034303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.034303 (E_RNA) where: Base-Base interactions energy: -4.294 where: short stacking energy: -4.294 Base-Backbone interact. energy: -0.000 local terms energy: -18.740503 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -2.757 flat angles P-C4'-P energy: -2.533 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: 10 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -22.747794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.747794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.747794 (E_RNA) where: Base-Base interactions energy: -7.735 where: short stacking energy: -7.735 Base-Backbone interact. energy: -0.000 local terms energy: -15.013275 where: bonds (distance) C4'-P energy: -2.307 bonds (distance) P-C4' energy: -3.652 flat angles C4'-P-C4' energy: -3.358 flat angles P-C4'-P energy: -2.715 tors. eta vs tors. theta energy: -2.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -30.588660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.588660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.588660 (E_RNA) where: Base-Base interactions energy: -12.373 where: short stacking energy: -12.373 Base-Backbone interact. energy: -0.000 local terms energy: -18.215631 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -2.882 flat angles P-C4'-P energy: -3.892 tors. eta vs tors. theta energy: -2.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -22.208055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.208055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.208055 (E_RNA) where: Base-Base interactions energy: -6.152 where: short stacking energy: -6.152 Base-Backbone interact. energy: -0.114 local terms energy: -15.941768 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.928 flat angles P-C4'-P energy: -3.318 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: 3, replica: 4 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -28.215730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.215730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.215730 (E_RNA) where: Base-Base interactions energy: -10.005 where: short stacking energy: -10.005 Base-Backbone interact. energy: -0.000 local terms energy: -18.210754 where: bonds (distance) C4'-P energy: -2.751 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.466 flat angles P-C4'-P energy: -3.460 tors. eta vs tors. theta energy: -2.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -30.224543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.224543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.224543 (E_RNA) where: Base-Base interactions energy: -10.765 where: short stacking energy: -10.765 Base-Backbone interact. energy: -1.072 local terms energy: -18.388013 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -3.987 flat angles C4'-P-C4' energy: -4.279 flat angles P-C4'-P energy: -3.123 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: 5, replica: 2 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -24.683905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.683905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.683905 (E_RNA) where: Base-Base interactions energy: -8.662 where: short stacking energy: -8.662 Base-Backbone interact. energy: -0.000 local terms energy: -16.021743 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -3.981 flat angles C4'-P-C4' energy: -3.175 flat angles P-C4'-P energy: -2.369 tors. eta vs tors. theta energy: -2.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -22.901511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.901511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.901511 (E_RNA) where: Base-Base interactions energy: -5.684 where: short stacking energy: -6.154 Base-Backbone interact. energy: -1.829 local terms energy: -15.389345 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.355 flat angles P-C4'-P energy: -0.395 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: 7, replica: 3 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -22.727195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.727195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.727195 (E_RNA) where: Base-Base interactions energy: -6.779 where: short stacking energy: -6.779 Base-Backbone interact. energy: -0.000 local terms energy: -15.947762 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -2.263 flat angles P-C4'-P energy: -2.725 tors. eta vs tors. theta energy: -1.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -20.201534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.201534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.201534 (E_RNA) where: Base-Base interactions energy: -3.666 where: short stacking energy: -3.666 Base-Backbone interact. energy: -0.114 local terms energy: -16.421714 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.941 flat angles P-C4'-P energy: -2.457 tors. eta vs tors. theta energy: -0.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -20.610905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.610905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.610905 (E_RNA) where: Base-Base interactions energy: -4.362 where: short stacking energy: -4.362 Base-Backbone interact. energy: -0.674 local terms energy: -15.574605 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.464 flat angles P-C4'-P energy: -3.070 tors. eta vs tors. theta energy: 1.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -19.804715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.804715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.804715 (E_RNA) where: Base-Base interactions energy: -3.691 where: short stacking energy: -3.691 Base-Backbone interact. energy: -0.000 local terms energy: -16.113895 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -3.896 flat angles P-C4'-P energy: -1.783 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: 1, replica: 5 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -25.251503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.251503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.251503 (E_RNA) where: Base-Base interactions energy: -7.187 where: short stacking energy: -7.187 Base-Backbone interact. energy: -0.000 local terms energy: -18.064072 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.097 flat angles P-C4'-P energy: -1.154 tors. eta vs tors. theta energy: -3.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -25.125267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.125267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.125267 (E_RNA) where: Base-Base interactions energy: -7.740 where: short stacking energy: -7.740 Base-Backbone interact. energy: -0.000 local terms energy: -17.385541 where: bonds (distance) C4'-P energy: -2.681 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.659 flat angles P-C4'-P energy: -3.021 tors. eta vs tors. theta energy: -3.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -24.836207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.836207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.836207 (E_RNA) where: Base-Base interactions energy: -8.067 where: short stacking energy: -8.067 Base-Backbone interact. energy: -0.015 local terms energy: -16.754503 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.006 flat angles P-C4'-P energy: -2.637 tors. eta vs tors. theta energy: -0.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -25.302490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.302490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.302490 (E_RNA) where: Base-Base interactions energy: -9.865 where: short stacking energy: -9.865 Base-Backbone interact. energy: -0.002 local terms energy: -15.435503 where: bonds (distance) C4'-P energy: -3.152 bonds (distance) P-C4' energy: -3.128 flat angles C4'-P-C4' energy: -3.853 flat angles P-C4'-P energy: -3.539 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: 5, replica: 8 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -23.667574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.667574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.667574 (E_RNA) where: Base-Base interactions energy: -7.864 where: short stacking energy: -7.864 Base-Backbone interact. energy: -0.000 local terms energy: -15.803565 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -3.839 flat angles P-C4'-P energy: -1.826 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: 6, replica: 2 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -22.124456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.124456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.124456 (E_RNA) where: Base-Base interactions energy: -7.276 where: short stacking energy: -7.276 Base-Backbone interact. energy: -0.093 local terms energy: -14.755413 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.867 flat angles C4'-P-C4' energy: -4.358 flat angles P-C4'-P energy: -2.010 tors. eta vs tors. theta energy: 0.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -21.385626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.385626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.385626 (E_RNA) where: Base-Base interactions energy: -6.889 where: short stacking energy: -6.889 Base-Backbone interact. energy: -0.001 local terms energy: -14.495001 where: bonds (distance) C4'-P energy: -2.846 bonds (distance) P-C4' energy: -3.892 flat angles C4'-P-C4' energy: -4.436 flat angles P-C4'-P energy: -2.654 tors. eta vs tors. theta energy: -0.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -20.504475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.504475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.504475 (E_RNA) where: Base-Base interactions energy: -6.190 where: short stacking energy: -6.218 Base-Backbone interact. energy: -0.000 local terms energy: -14.314001 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -3.536 flat angles P-C4'-P energy: -0.786 tors. eta vs tors. theta energy: -1.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -21.926778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.926778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.926778 (E_RNA) where: Base-Base interactions energy: -6.313 where: short stacking energy: -6.483 Base-Backbone interact. energy: -0.004 local terms energy: -15.609749 where: bonds (distance) C4'-P energy: -3.309 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -3.995 flat angles P-C4'-P energy: -2.389 tors. eta vs tors. theta energy: -1.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -21.756394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.756394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.756394 (E_RNA) where: Base-Base interactions energy: -8.167 where: short stacking energy: -8.167 Base-Backbone interact. energy: -0.000 local terms energy: -13.589718 where: bonds (distance) C4'-P energy: -1.514 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -2.938 flat angles P-C4'-P energy: -3.987 tors. eta vs tors. theta energy: -0.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -31.165450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.165450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.165450 (E_RNA) where: Base-Base interactions energy: -10.805 where: short stacking energy: -10.805 Base-Backbone interact. energy: -0.000 local terms energy: -20.360410 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -4.149 flat angles C4'-P-C4' energy: -4.890 flat angles P-C4'-P energy: -2.623 tors. eta vs tors. theta energy: -5.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -29.756521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.756521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.756521 (E_RNA) where: Base-Base interactions energy: -10.184 where: short stacking energy: -10.747 Base-Backbone interact. energy: -0.268 local terms energy: -19.304627 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.692 flat angles P-C4'-P energy: -2.871 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: 6 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -24.141848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.141848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.141848 (E_RNA) where: Base-Base interactions energy: -3.974 where: short stacking energy: -4.134 Base-Backbone interact. energy: -0.984 local terms energy: -19.183139 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.379 flat angles P-C4'-P energy: -2.111 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: 8 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -25.138669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.138669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.138669 (E_RNA) where: Base-Base interactions energy: -7.187 where: short stacking energy: -7.187 Base-Backbone interact. energy: -0.002 local terms energy: -17.949584 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.713 flat angles P-C4'-P energy: -2.852 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: 4 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -26.127604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.127604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.127604 (E_RNA) where: Base-Base interactions energy: -7.887 where: short stacking energy: -7.887 Base-Backbone interact. energy: -0.000 local terms energy: -18.240657 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.051 flat angles C4'-P-C4' energy: -2.428 flat angles P-C4'-P energy: -3.870 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: 9 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -26.487097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.487097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.487097 (E_RNA) where: Base-Base interactions energy: -11.632 where: short stacking energy: -11.632 Base-Backbone interact. energy: 1.356 local terms energy: -16.210698 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -3.297 flat angles C4'-P-C4' energy: -3.743 flat angles P-C4'-P energy: -3.256 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: 7, replica: 2 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -23.465554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.465554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.465554 (E_RNA) where: Base-Base interactions energy: -4.546 where: short stacking energy: -4.546 Base-Backbone interact. energy: -0.096 local terms energy: -18.823522 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.220 flat angles P-C4'-P energy: -2.206 tors. eta vs tors. theta energy: -2.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -24.659393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.659393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.659393 (E_RNA) where: Base-Base interactions energy: -8.384 where: short stacking energy: -8.384 Base-Backbone interact. energy: -0.008 local terms energy: -16.267716 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -3.037 flat angles P-C4'-P energy: -1.359 tors. eta vs tors. theta energy: -3.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -23.512835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.512835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.512835 (E_RNA) where: Base-Base interactions energy: -7.075 where: short stacking energy: -7.075 Base-Backbone interact. energy: -0.008 local terms energy: -16.430322 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -4.349 flat angles P-C4'-P energy: -3.229 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: 10, replica: 7 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -20.411009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.411009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.411009 (E_RNA) where: Base-Base interactions energy: -5.871 where: short stacking energy: -5.871 Base-Backbone interact. energy: -0.007 local terms energy: -14.533399 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -4.051 flat angles C4'-P-C4' energy: -4.471 flat angles P-C4'-P energy: -3.998 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: 1 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -32.295763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.295763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.295763 (E_RNA) where: Base-Base interactions energy: -12.828 where: short stacking energy: -12.828 Base-Backbone interact. energy: -0.000 local terms energy: -19.467740 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.735 flat angles P-C4'-P energy: -3.166 tors. eta vs tors. theta energy: -3.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -28.359255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.359255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.359255 (E_RNA) where: Base-Base interactions energy: -10.693 where: short stacking energy: -10.693 Base-Backbone interact. energy: -0.000 local terms energy: -17.666310 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -3.007 flat angles C4'-P-C4' energy: -3.410 flat angles P-C4'-P energy: -2.151 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: 3, replica: 8 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -26.464197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.464197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.464197 (E_RNA) where: Base-Base interactions energy: -6.964 where: short stacking energy: -6.964 Base-Backbone interact. energy: -0.000 local terms energy: -19.500021 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.350 flat angles P-C4'-P energy: -2.275 tors. eta vs tors. theta energy: -3.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -25.912115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.912115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.912115 (E_RNA) where: Base-Base interactions energy: -10.226 where: short stacking energy: -10.226 Base-Backbone interact. energy: -0.001 local terms energy: -15.685091 where: bonds (distance) C4'-P energy: -3.264 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -2.905 flat angles P-C4'-P energy: -2.711 tors. eta vs tors. theta energy: -1.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -25.157036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.157036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.157036 (E_RNA) where: Base-Base interactions energy: -8.948 where: short stacking energy: -8.948 Base-Backbone interact. energy: -0.000 local terms energy: -16.208675 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -4.205 flat angles C4'-P-C4' energy: -1.501 flat angles P-C4'-P energy: -2.887 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: 6, replica: 4 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -23.060560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.060560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.060560 (E_RNA) where: Base-Base interactions energy: -8.183 where: short stacking energy: -8.183 Base-Backbone interact. energy: -0.000 local terms energy: -14.877330 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.800 flat angles P-C4'-P energy: -2.266 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: 7, replica: 10 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -21.626974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.626974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.626974 (E_RNA) where: Base-Base interactions energy: -5.077 where: short stacking energy: -5.344 Base-Backbone interact. energy: -0.000 local terms energy: -16.549988 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -3.345 flat angles P-C4'-P energy: -2.727 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: 8, replica: 2 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -23.421643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.421643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.421643 (E_RNA) where: Base-Base interactions energy: -9.991 where: short stacking energy: -9.991 Base-Backbone interact. energy: -0.000 local terms energy: -13.431093 where: bonds (distance) C4'-P energy: -2.395 bonds (distance) P-C4' energy: -3.299 flat angles C4'-P-C4' energy: -3.749 flat angles P-C4'-P energy: -2.683 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: 9, replica: 7 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -20.780403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.780403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.780403 (E_RNA) where: Base-Base interactions energy: -4.183 where: short stacking energy: -4.183 Base-Backbone interact. energy: -0.006 local terms energy: -16.592082 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -3.304 flat angles P-C4'-P energy: -3.594 tors. eta vs tors. theta energy: -0.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -21.817763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.817763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.817763 (E_RNA) where: Base-Base interactions energy: -4.042 where: short stacking energy: -4.042 Base-Backbone interact. energy: -0.000 local terms energy: -17.775764 where: bonds (distance) C4'-P energy: -2.271 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.519 flat angles P-C4'-P energy: -2.676 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: 1, replica: 1 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -26.210683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.210683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.210683 (E_RNA) where: Base-Base interactions energy: -7.735 where: short stacking energy: -7.735 Base-Backbone interact. energy: -0.000 local terms energy: -18.476039 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.105 flat angles P-C4'-P energy: -2.949 tors. eta vs tors. theta energy: -2.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -28.311260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.311260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.311260 (E_RNA) where: Base-Base interactions energy: -8.463 where: short stacking energy: -8.463 Base-Backbone interact. energy: -0.000 local terms energy: -19.848581 where: bonds (distance) C4'-P energy: -2.759 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.640 flat angles P-C4'-P energy: -3.721 tors. eta vs tors. theta energy: -4.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -28.427010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.427010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.427010 (E_RNA) where: Base-Base interactions energy: -11.530 where: short stacking energy: -11.530 Base-Backbone interact. energy: -0.007 local terms energy: -16.890258 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.782 flat angles P-C4'-P energy: -2.728 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: 4, replica: 9 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -22.917205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.917205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.917205 (E_RNA) where: Base-Base interactions energy: -4.270 where: short stacking energy: -4.270 Base-Backbone interact. energy: -0.061 local terms energy: -18.586239 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.837 flat angles P-C4'-P energy: -3.854 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: 5, replica: 6 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -22.593936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.593936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.593936 (E_RNA) where: Base-Base interactions energy: -4.978 where: short stacking energy: -4.978 Base-Backbone interact. energy: -0.000 local terms energy: -17.615572 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.044 flat angles C4'-P-C4' energy: -4.280 flat angles P-C4'-P energy: -2.838 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: 6, replica: 10 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -23.057672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.057672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.057672 (E_RNA) where: Base-Base interactions energy: -4.740 where: short stacking energy: -4.740 Base-Backbone interact. energy: -0.158 local terms energy: -18.158983 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -3.987 flat angles C4'-P-C4' energy: -4.250 flat angles P-C4'-P energy: -3.814 tors. eta vs tors. theta energy: -2.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -21.419494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.419494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.419494 (E_RNA) where: Base-Base interactions energy: -7.259 where: short stacking energy: -7.259 Base-Backbone interact. energy: -0.000 local terms energy: -14.160178 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -2.646 flat angles C4'-P-C4' energy: -2.908 flat angles P-C4'-P energy: -3.636 tors. eta vs tors. theta energy: -0.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -23.204393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.204393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.204393 (E_RNA) where: Base-Base interactions energy: -8.058 where: short stacking energy: -8.058 Base-Backbone interact. energy: -0.000 local terms energy: -15.146345 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -3.553 flat angles C4'-P-C4' energy: -4.364 flat angles P-C4'-P energy: -1.328 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: 9, replica: 2 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -22.762027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.762027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.762027 (E_RNA) where: Base-Base interactions energy: -7.278 where: short stacking energy: -7.278 Base-Backbone interact. energy: -0.001 local terms energy: -15.483157 where: bonds (distance) C4'-P energy: -3.244 bonds (distance) P-C4' energy: -4.184 flat angles C4'-P-C4' energy: -4.274 flat angles P-C4'-P energy: -3.348 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: 10, replica: 3 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -20.720787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.720787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.720787 (E_RNA) where: Base-Base interactions energy: -2.867 where: short stacking energy: -2.867 Base-Backbone interact. energy: -0.003 local terms energy: -17.851184 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -2.969 flat angles C4'-P-C4' energy: -4.261 flat angles P-C4'-P energy: -3.173 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: 1, replica: 8 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -30.537037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.537037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.537037 (E_RNA) where: Base-Base interactions energy: -9.634 where: short stacking energy: -9.634 Base-Backbone interact. energy: -0.001 local terms energy: -20.901722 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.452 flat angles P-C4'-P energy: -3.785 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: 2, replica: 1 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -26.539000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.539000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.539000 (E_RNA) where: Base-Base interactions energy: -7.028 where: short stacking energy: -7.028 Base-Backbone interact. energy: -0.000 local terms energy: -19.511240 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -2.576 flat angles P-C4'-P energy: -3.370 tors. eta vs tors. theta energy: -4.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -30.766431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.766431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.766431 (E_RNA) where: Base-Base interactions energy: -11.472 where: short stacking energy: -11.472 Base-Backbone interact. energy: -0.000 local terms energy: -19.294711 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.993 flat angles P-C4'-P energy: -3.387 tors. eta vs tors. theta energy: -2.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -28.218774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.218774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.218774 (E_RNA) where: Base-Base interactions energy: -8.982 where: short stacking energy: -8.982 Base-Backbone interact. energy: -0.000 local terms energy: -19.237068 where: bonds (distance) C4'-P energy: -3.036 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.195 flat angles P-C4'-P energy: -2.206 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: 5, replica: 10 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -23.194800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.194800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.194800 (E_RNA) where: Base-Base interactions energy: -6.193 where: short stacking energy: -6.193 Base-Backbone interact. energy: -0.001 local terms energy: -17.001106 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.510 flat angles P-C4'-P energy: -2.331 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: 278 Temperature: 1.150000 Total energy: -22.431985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.431985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.431985 (E_RNA) where: Base-Base interactions energy: -3.382 where: short stacking energy: -3.382 Base-Backbone interact. energy: -0.000 local terms energy: -19.049540 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.057 flat angles P-C4'-P energy: -2.992 tors. eta vs tors. theta energy: -2.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -25.231912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.231912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.231912 (E_RNA) where: Base-Base interactions energy: -7.336 where: short stacking energy: -7.336 Base-Backbone interact. energy: -0.000 local terms energy: -17.896107 where: bonds (distance) C4'-P energy: -3.309 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.284 flat angles P-C4'-P energy: -3.100 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: 8, replica: 4 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -22.945619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.945619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.945619 (E_RNA) where: Base-Base interactions energy: -7.385 where: short stacking energy: -7.385 Base-Backbone interact. energy: -0.000 local terms energy: -15.560595 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -2.244 flat angles C4'-P-C4' energy: -4.977 flat angles P-C4'-P energy: -1.492 tors. eta vs tors. theta energy: -2.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -26.159238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.159238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.159238 (E_RNA) where: Base-Base interactions energy: -6.848 where: short stacking energy: -6.848 Base-Backbone interact. energy: -0.000 local terms energy: -19.310748 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.631 flat angles C4'-P-C4' energy: -3.846 flat angles P-C4'-P energy: -3.256 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: 2 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -21.559809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.559809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.559809 (E_RNA) where: Base-Base interactions energy: -4.982 where: short stacking energy: -4.982 Base-Backbone interact. energy: -0.000 local terms energy: -16.578128 where: bonds (distance) C4'-P energy: -3.036 bonds (distance) P-C4' energy: -4.051 flat angles C4'-P-C4' energy: -3.837 flat angles P-C4'-P energy: -2.640 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: 1, replica: 8 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -26.148934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.148934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.148934 (E_RNA) where: Base-Base interactions energy: -8.023 where: short stacking energy: -8.023 Base-Backbone interact. energy: -0.001 local terms energy: -18.124917 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.466 flat angles P-C4'-P energy: -4.006 tors. eta vs tors. theta energy: -0.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -31.908475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.908475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.908475 (E_RNA) where: Base-Base interactions energy: -11.891 where: short stacking energy: -11.891 Base-Backbone interact. energy: -0.000 local terms energy: -20.017489 where: bonds (distance) C4'-P energy: -3.673 bonds (distance) P-C4' energy: -3.301 flat angles C4'-P-C4' energy: -4.693 flat angles P-C4'-P energy: -3.994 tors. eta vs tors. theta energy: -4.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -27.332915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.332915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.332915 (E_RNA) where: Base-Base interactions energy: -9.753 where: short stacking energy: -9.753 Base-Backbone interact. energy: -0.000 local terms energy: -17.579825 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -4.120 flat angles P-C4'-P energy: -3.290 tors. eta vs tors. theta energy: -2.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -24.221838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.221838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.221838 (E_RNA) where: Base-Base interactions energy: -7.871 where: short stacking energy: -7.871 Base-Backbone interact. energy: -0.024 local terms energy: -16.327776 where: bonds (distance) C4'-P energy: -4.233 bonds (distance) P-C4' energy: -4.103 flat angles C4'-P-C4' energy: -3.179 flat angles P-C4'-P energy: -3.205 tors. eta vs tors. theta energy: -1.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -25.046754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.046754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.046754 (E_RNA) where: Base-Base interactions energy: -7.483 where: short stacking energy: -7.483 Base-Backbone interact. energy: -0.000 local terms energy: -17.563789 where: bonds (distance) C4'-P energy: -2.797 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -2.745 flat angles P-C4'-P energy: -3.594 tors. eta vs tors. theta energy: -3.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -23.029071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.029071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.029071 (E_RNA) where: Base-Base interactions energy: -4.405 where: short stacking energy: -4.405 Base-Backbone interact. energy: -0.000 local terms energy: -18.624120 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.485 flat angles P-C4'-P energy: -3.473 tors. eta vs tors. theta energy: -1.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -23.235556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.235556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.235556 (E_RNA) where: Base-Base interactions energy: -6.618 where: short stacking energy: -6.618 Base-Backbone interact. energy: -0.000 local terms energy: -16.617859 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.835 flat angles P-C4'-P energy: -1.555 tors. eta vs tors. theta energy: -1.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -23.545001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.545001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.545001 (E_RNA) where: Base-Base interactions energy: -6.681 where: short stacking energy: -6.681 Base-Backbone interact. energy: -0.000 local terms energy: -16.863789 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.666 flat angles P-C4'-P energy: -3.861 tors. eta vs tors. theta energy: -0.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -23.332201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.332201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.332201 (E_RNA) where: Base-Base interactions energy: -7.180 where: short stacking energy: -7.288 Base-Backbone interact. energy: -0.025 local terms energy: -16.127495 where: bonds (distance) C4'-P energy: -4.279 bonds (distance) P-C4' energy: -3.364 flat angles C4'-P-C4' energy: -4.521 flat angles P-C4'-P energy: -1.801 tors. eta vs tors. theta energy: -2.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -21.416137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.416137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.416137 (E_RNA) where: Base-Base interactions energy: -6.670 where: short stacking energy: -6.670 Base-Backbone interact. energy: -0.000 local terms energy: -14.745723 where: bonds (distance) C4'-P energy: -3.032 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -3.306 flat angles P-C4'-P energy: -2.009 tors. eta vs tors. theta energy: -1.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -29.578800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.578800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.578800 (E_RNA) where: Base-Base interactions energy: -10.475 where: short stacking energy: -10.475 Base-Backbone interact. energy: -0.000 local terms energy: -19.103631 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.485 flat angles P-C4'-P energy: -2.875 tors. eta vs tors. theta energy: -3.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -24.164457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.164457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.164457 (E_RNA) where: Base-Base interactions energy: -6.482 where: short stacking energy: -6.482 Base-Backbone interact. energy: -0.000 local terms energy: -17.682650 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.803 flat angles P-C4'-P energy: -3.746 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: 3, replica: 10 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -23.999654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.999654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.999654 (E_RNA) where: Base-Base interactions energy: -7.404 where: short stacking energy: -7.404 Base-Backbone interact. energy: -0.090 local terms energy: -16.505668 where: bonds (distance) C4'-P energy: -3.595 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -3.451 flat angles P-C4'-P energy: -3.026 tors. eta vs tors. theta energy: -1.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -22.737550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.737550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.737550 (E_RNA) where: Base-Base interactions energy: -7.035 where: short stacking energy: -7.035 Base-Backbone interact. energy: -0.091 local terms energy: -15.610677 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.220 flat angles P-C4'-P energy: -2.683 tors. eta vs tors. theta energy: 0.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -22.715285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.715285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.715285 (E_RNA) where: Base-Base interactions energy: -6.862 where: short stacking energy: -6.862 Base-Backbone interact. energy: 1.290 local terms energy: -17.142868 where: bonds (distance) C4'-P energy: -3.070 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -4.647 flat angles P-C4'-P energy: -2.930 tors. eta vs tors. theta energy: -1.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -24.514107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.514107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.514107 (E_RNA) where: Base-Base interactions energy: -7.012 where: short stacking energy: -7.012 Base-Backbone interact. energy: -0.015 local terms energy: -17.487265 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.357 flat angles P-C4'-P energy: -3.595 tors. eta vs tors. theta energy: -1.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -30.643880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.643880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.643880 (E_RNA) where: Base-Base interactions energy: -10.740 where: short stacking energy: -10.740 Base-Backbone interact. energy: -0.000 local terms energy: -19.904036 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.051 flat angles C4'-P-C4' energy: -4.235 flat angles P-C4'-P energy: -3.560 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: 8, replica: 6 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -21.249938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.249938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.249938 (E_RNA) where: Base-Base interactions energy: -7.833 where: short stacking energy: -7.833 Base-Backbone interact. energy: -0.000 local terms energy: -13.416872 where: bonds (distance) C4'-P energy: -3.344 bonds (distance) P-C4' energy: -3.075 flat angles C4'-P-C4' energy: -4.025 flat angles P-C4'-P energy: -2.826 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: 9, replica: 2 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -22.778428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.778428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.778428 (E_RNA) where: Base-Base interactions energy: -4.051 where: short stacking energy: -4.482 Base-Backbone interact. energy: -0.012 local terms energy: -18.714490 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.187 flat angles P-C4'-P energy: -0.781 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: 10, replica: 4 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -18.247841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.247841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.247841 (E_RNA) where: Base-Base interactions energy: -2.957 where: short stacking energy: -2.957 Base-Backbone interact. energy: -0.077 local terms energy: -15.213944 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.354 flat angles P-C4'-P energy: -2.552 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: 1, replica: 9 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -29.713876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.713876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.713876 (E_RNA) where: Base-Base interactions energy: -11.595 where: short stacking energy: -11.595 Base-Backbone interact. energy: -0.000 local terms energy: -18.118562 where: bonds (distance) C4'-P energy: -3.148 bonds (distance) P-C4' energy: -3.494 flat angles C4'-P-C4' energy: -4.266 flat angles P-C4'-P energy: -3.200 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: 2, replica: 10 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -26.649878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.649878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.649878 (E_RNA) where: Base-Base interactions energy: -8.733 where: short stacking energy: -8.733 Base-Backbone interact. energy: -0.015 local terms energy: -17.901863 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.913 flat angles P-C4'-P energy: -2.489 tors. eta vs tors. theta energy: -2.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -23.687967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.687967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.687967 (E_RNA) where: Base-Base interactions energy: -5.677 where: short stacking energy: -5.677 Base-Backbone interact. energy: -0.004 local terms energy: -18.006685 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.279 flat angles P-C4'-P energy: -3.196 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: 4, replica: 7 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -25.472193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.472193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.472193 (E_RNA) where: Base-Base interactions energy: -8.158 where: short stacking energy: -8.158 Base-Backbone interact. energy: -0.000 local terms energy: -17.314065 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.309 flat angles P-C4'-P energy: -2.273 tors. eta vs tors. theta energy: -2.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -25.570130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.570130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.570130 (E_RNA) where: Base-Base interactions energy: -6.099 where: short stacking energy: -6.099 Base-Backbone interact. energy: -0.000 local terms energy: -19.470777 where: bonds (distance) C4'-P energy: -3.567 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.648 flat angles P-C4'-P energy: -2.538 tors. eta vs tors. theta energy: -3.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -23.931102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.931102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.931102 (E_RNA) where: Base-Base interactions energy: -7.098 where: short stacking energy: -7.098 Base-Backbone interact. energy: -0.000 local terms energy: -16.833364 where: bonds (distance) C4'-P energy: -3.595 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.421 flat angles P-C4'-P energy: -2.960 tors. eta vs tors. theta energy: -1.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -23.396255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.396255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.396255 (E_RNA) where: Base-Base interactions energy: -9.254 where: short stacking energy: -9.254 Base-Backbone interact. energy: -0.000 local terms energy: -14.142494 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -3.154 flat angles P-C4'-P energy: -2.222 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: 8, replica: 2 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -19.388700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.388700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.388700 (E_RNA) where: Base-Base interactions energy: -4.992 where: short stacking energy: -4.992 Base-Backbone interact. energy: -0.000 local terms energy: -14.396994 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.691 flat angles P-C4'-P energy: -1.871 tors. eta vs tors. theta energy: 0.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -20.018323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.018323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.018323 (E_RNA) where: Base-Base interactions energy: -4.247 where: short stacking energy: -4.247 Base-Backbone interact. energy: -0.087 local terms energy: -15.684236 where: bonds (distance) C4'-P energy: -1.882 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.459 flat angles P-C4'-P energy: -3.404 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: 10, replica: 4 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -23.878333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.878333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.878333 (E_RNA) where: Base-Base interactions energy: -8.254 where: short stacking energy: -8.254 Base-Backbone interact. energy: -0.016 local terms energy: -15.608549 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -3.585 flat angles C4'-P-C4' energy: -4.500 flat angles P-C4'-P energy: -3.539 tors. eta vs tors. theta energy: 0.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -27.551250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.551250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.551250 (E_RNA) where: Base-Base interactions energy: -7.924 where: short stacking energy: -7.924 Base-Backbone interact. energy: -1.181 local terms energy: -18.445913 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -3.339 flat angles C4'-P-C4' energy: -3.932 flat angles P-C4'-P energy: -3.976 tors. eta vs tors. theta energy: -2.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -29.218581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.218581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.218581 (E_RNA) where: Base-Base interactions energy: -9.949 where: short stacking energy: -9.949 Base-Backbone interact. energy: -0.000 local terms energy: -19.269378 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.946 flat angles P-C4'-P energy: -1.953 tors. eta vs tors. theta energy: -4.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -27.932341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.932341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.932341 (E_RNA) where: Base-Base interactions energy: -8.799 where: short stacking energy: -8.799 Base-Backbone interact. energy: -0.000 local terms energy: -19.133370 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: -2.385 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: 7 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -25.033940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.033940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.033940 (E_RNA) where: Base-Base interactions energy: -5.982 where: short stacking energy: -5.982 Base-Backbone interact. energy: -0.000 local terms energy: -19.052285 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -4.766 flat angles P-C4'-P energy: -3.028 tors. eta vs tors. theta energy: -3.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -26.716769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.716769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.716769 (E_RNA) where: Base-Base interactions energy: -9.858 where: short stacking energy: -9.858 Base-Backbone interact. energy: -0.000 local terms energy: -16.858821 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.885 flat angles P-C4'-P energy: -2.118 tors. eta vs tors. theta energy: -2.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -23.679670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.679670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.679670 (E_RNA) where: Base-Base interactions energy: -5.389 where: short stacking energy: -5.389 Base-Backbone interact. energy: -0.000 local terms energy: -18.291025 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.023 flat angles P-C4'-P energy: -2.971 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: 7, replica: 2 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -23.310530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.310530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.310530 (E_RNA) where: Base-Base interactions energy: -7.687 where: short stacking energy: -7.687 Base-Backbone interact. energy: -0.000 local terms energy: -15.623313 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.976 flat angles P-C4'-P energy: -0.973 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: 8, replica: 5 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -19.853795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.853795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.853795 (E_RNA) where: Base-Base interactions energy: -4.396 where: short stacking energy: -4.396 Base-Backbone interact. energy: -1.216 local terms energy: -14.241427 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -2.919 flat angles P-C4'-P energy: -3.468 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: 9, replica: 4 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -21.146054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.146054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.146054 (E_RNA) where: Base-Base interactions energy: -4.344 where: short stacking energy: -4.344 Base-Backbone interact. energy: -0.071 local terms energy: -16.730683 where: bonds (distance) C4'-P energy: -1.364 bonds (distance) P-C4' energy: -3.815 flat angles C4'-P-C4' energy: -4.642 flat angles P-C4'-P energy: -3.362 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: 10, replica: 6 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -21.667082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.667082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.667082 (E_RNA) where: Base-Base interactions energy: -6.366 where: short stacking energy: -6.366 Base-Backbone interact. energy: -0.000 local terms energy: -15.301172 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -2.462 flat angles P-C4'-P energy: -1.835 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: 10 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -30.113582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.113582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.113582 (E_RNA) where: Base-Base interactions energy: -10.791 where: short stacking energy: -10.791 Base-Backbone interact. energy: -0.000 local terms energy: -19.322621 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.911 flat angles P-C4'-P energy: -3.376 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: 2, replica: 8 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -29.068019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.068019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.068019 (E_RNA) where: Base-Base interactions energy: -7.097 where: short stacking energy: -7.097 Base-Backbone interact. energy: -0.000 local terms energy: -21.970980 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.575 flat angles C4'-P-C4' energy: -4.199 flat angles P-C4'-P energy: -3.957 tors. eta vs tors. theta energy: -5.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -26.563205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.563205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.563205 (E_RNA) where: Base-Base interactions energy: -7.564 where: short stacking energy: -7.564 Base-Backbone interact. energy: -0.000 local terms energy: -18.999135 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.099 flat angles P-C4'-P energy: -2.993 tors. eta vs tors. theta energy: -4.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -24.713365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.713365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.713365 (E_RNA) where: Base-Base interactions energy: -10.968 where: short stacking energy: -10.968 Base-Backbone interact. energy: -0.023 local terms energy: -13.722601 where: bonds (distance) C4'-P energy: -1.943 bonds (distance) P-C4' energy: -3.100 flat angles C4'-P-C4' energy: -4.341 flat angles P-C4'-P energy: -2.224 tors. eta vs tors. theta energy: -2.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -24.774034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.774034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.774034 (E_RNA) where: Base-Base interactions energy: -8.183 where: short stacking energy: -8.183 Base-Backbone interact. energy: -0.006 local terms energy: -16.585089 where: bonds (distance) C4'-P energy: -2.316 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.657 flat angles P-C4'-P energy: -3.568 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: 6, replica: 2 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -21.907245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.907245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.907245 (E_RNA) where: Base-Base interactions energy: -4.624 where: short stacking energy: -4.624 Base-Backbone interact. energy: -0.007 local terms energy: -17.276601 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.728 flat angles P-C4'-P energy: -2.772 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: 1 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -22.979784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.979784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.979784 (E_RNA) where: Base-Base interactions energy: -5.049 where: short stacking energy: -5.049 Base-Backbone interact. energy: -0.000 local terms energy: -17.930373 where: bonds (distance) C4'-P energy: -2.805 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.909 flat angles P-C4'-P energy: -3.824 tors. eta vs tors. theta energy: -1.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -25.392714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.392714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.392714 (E_RNA) where: Base-Base interactions energy: -6.121 where: short stacking energy: -6.121 Base-Backbone interact. energy: -0.000 local terms energy: -19.272140 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.552 flat angles P-C4'-P energy: -2.790 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: 5 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -22.114823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.114823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.114823 (E_RNA) where: Base-Base interactions energy: -6.985 where: short stacking energy: -6.985 Base-Backbone interact. energy: -0.084 local terms energy: -15.045578 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -4.572 flat angles C4'-P-C4' energy: -3.376 flat angles P-C4'-P energy: -3.056 tors. eta vs tors. theta energy: -0.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -20.658004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.658004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.658004 (E_RNA) where: Base-Base interactions energy: -4.569 where: short stacking energy: -4.569 Base-Backbone interact. energy: -0.055 local terms energy: -16.033710 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.383 flat angles P-C4'-P energy: -0.804 tors. eta vs tors. theta energy: -1.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -29.421580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.421580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.421580 (E_RNA) where: Base-Base interactions energy: -11.029 where: short stacking energy: -11.029 Base-Backbone interact. energy: -0.000 local terms energy: -18.392494 where: bonds (distance) C4'-P energy: -3.032 bonds (distance) P-C4' energy: -4.152 flat angles C4'-P-C4' energy: -4.766 flat angles P-C4'-P energy: -3.025 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: 8 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -27.337409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.337409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.337409 (E_RNA) where: Base-Base interactions energy: -7.231 where: short stacking energy: -7.231 Base-Backbone interact. energy: -0.000 local terms energy: -20.106440 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.525 flat angles P-C4'-P energy: -3.255 tors. eta vs tors. theta energy: -2.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -24.552700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.552700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.552700 (E_RNA) where: Base-Base interactions energy: -7.355 where: short stacking energy: -7.355 Base-Backbone interact. energy: -0.000 local terms energy: -17.197714 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.150 flat angles P-C4'-P energy: -2.169 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: 4, replica: 9 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -25.118055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.118055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.118055 (E_RNA) where: Base-Base interactions energy: -9.578 where: short stacking energy: -9.578 Base-Backbone interact. energy: -0.006 local terms energy: -15.534150 where: bonds (distance) C4'-P energy: -2.680 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.614 flat angles P-C4'-P energy: -1.773 tors. eta vs tors. theta energy: -1.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -29.794189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.794189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.794189 (E_RNA) where: Base-Base interactions energy: -10.959 where: short stacking energy: -10.959 Base-Backbone interact. energy: -0.000 local terms energy: -18.835615 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -3.981 flat angles C4'-P-C4' energy: -4.510 flat angles P-C4'-P energy: -3.595 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: 6, replica: 2 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -23.635962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.635962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.635962 (E_RNA) where: Base-Base interactions energy: -11.760 where: short stacking energy: -11.760 Base-Backbone interact. energy: -0.000 local terms energy: -11.875419 where: bonds (distance) C4'-P energy: -2.954 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -0.846 flat angles P-C4'-P energy: -0.616 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: 7, replica: 4 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -19.409723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.409723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.409723 (E_RNA) where: Base-Base interactions energy: -4.194 where: short stacking energy: -4.194 Base-Backbone interact. energy: 0.473 local terms energy: -15.688273 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.398 flat angles P-C4'-P energy: -0.783 tors. eta vs tors. theta energy: -1.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -20.065088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.065088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.065088 (E_RNA) where: Base-Base interactions energy: -7.810 where: short stacking energy: -7.810 Base-Backbone interact. energy: -0.041 local terms energy: -12.213906 where: bonds (distance) C4'-P energy: -1.525 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -1.280 flat angles P-C4'-P energy: -3.777 tors. eta vs tors. theta energy: -1.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -23.008614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.008614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.008614 (E_RNA) where: Base-Base interactions energy: -7.862 where: short stacking energy: -7.862 Base-Backbone interact. energy: -0.000 local terms energy: -15.146233 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -2.416 flat angles C4'-P-C4' energy: -4.379 flat angles P-C4'-P energy: -2.688 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: 10, replica: 5 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -19.035313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.035313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.035313 (E_RNA) where: Base-Base interactions energy: -6.872 where: short stacking energy: -6.872 Base-Backbone interact. energy: -0.000 local terms energy: -12.162717 where: bonds (distance) C4'-P energy: -1.989 bonds (distance) P-C4' energy: -3.981 flat angles C4'-P-C4' energy: -3.565 flat angles P-C4'-P energy: -1.970 tors. eta vs tors. theta energy: -0.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -20.406521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.406521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.406521 (E_RNA) where: Base-Base interactions energy: -2.619 where: short stacking energy: -2.619 Base-Backbone interact. energy: -0.008 local terms energy: -17.779498 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.591 flat angles P-C4'-P energy: -3.172 tors. eta vs tors. theta energy: -0.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -27.319515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.319515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.319515 (E_RNA) where: Base-Base interactions energy: -7.473 where: short stacking energy: -7.473 Base-Backbone interact. energy: -0.000 local terms energy: -19.846513 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.379 flat angles P-C4'-P energy: -3.663 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: 3, replica: 3 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -24.156452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.156452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.156452 (E_RNA) where: Base-Base interactions energy: -6.638 where: short stacking energy: -6.638 Base-Backbone interact. energy: -0.000 local terms energy: -17.518891 where: bonds (distance) C4'-P energy: -3.513 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.976 flat angles P-C4'-P energy: -3.853 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: 7 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -26.338518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.338518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.338518 (E_RNA) where: Base-Base interactions energy: -7.023 where: short stacking energy: -7.023 Base-Backbone interact. energy: -0.000 local terms energy: -19.315104 where: bonds (distance) C4'-P energy: -1.360 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.575 flat angles P-C4'-P energy: -3.623 tors. eta vs tors. theta energy: -4.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -22.547675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.547675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.547675 (E_RNA) where: Base-Base interactions energy: -7.504 where: short stacking energy: -7.504 Base-Backbone interact. energy: -0.005 local terms energy: -15.038743 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -3.759 flat angles P-C4'-P energy: -2.605 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: 6, replica: 4 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -26.980604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.980604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.980604 (E_RNA) where: Base-Base interactions energy: -8.416 where: short stacking energy: -8.416 Base-Backbone interact. energy: -0.000 local terms energy: -18.564891 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -4.045 flat angles P-C4'-P energy: -2.852 tors. eta vs tors. theta energy: -3.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -20.082599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.082599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.082599 (E_RNA) where: Base-Base interactions energy: -1.997 where: short stacking energy: -1.997 Base-Backbone interact. energy: -0.009 local terms energy: -18.076515 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.572 flat angles C4'-P-C4' energy: -3.944 flat angles P-C4'-P energy: -3.740 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: 8, replica: 6 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -21.336332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.336332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.336332 (E_RNA) where: Base-Base interactions energy: -6.814 where: short stacking energy: -6.814 Base-Backbone interact. energy: -0.000 local terms energy: -14.522314 where: bonds (distance) C4'-P energy: -2.634 bonds (distance) P-C4' energy: -3.103 flat angles C4'-P-C4' energy: -3.658 flat angles P-C4'-P energy: -3.624 tors. eta vs tors. theta energy: -1.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -21.715309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.715309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.715309 (E_RNA) where: Base-Base interactions energy: -6.277 where: short stacking energy: -6.277 Base-Backbone interact. energy: -0.001 local terms energy: -15.437603 where: bonds (distance) C4'-P energy: -3.673 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -3.285 flat angles P-C4'-P energy: -1.187 tors. eta vs tors. theta energy: -1.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -21.498510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.498510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.498510 (E_RNA) where: Base-Base interactions energy: -4.280 where: short stacking energy: -4.280 Base-Backbone interact. energy: -0.000 local terms energy: -17.218175 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -2.167 flat angles P-C4'-P energy: -3.071 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: 1, replica: 8 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -25.055733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.055733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.055733 (E_RNA) where: Base-Base interactions energy: -9.055 where: short stacking energy: -9.055 Base-Backbone interact. energy: -0.032 local terms energy: -15.968362 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.592 flat angles P-C4'-P energy: -0.571 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: 2, replica: 10 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -26.343152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.343152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.343152 (E_RNA) where: Base-Base interactions energy: -7.391 where: short stacking energy: -7.391 Base-Backbone interact. energy: -0.000 local terms energy: -18.952171 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.040 flat angles P-C4'-P energy: -3.371 tors. eta vs tors. theta energy: -2.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -28.524002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.524002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.524002 (E_RNA) where: Base-Base interactions energy: -9.935 where: short stacking energy: -9.935 Base-Backbone interact. energy: -0.000 local terms energy: -18.589393 where: bonds (distance) C4'-P energy: -3.045 bonds (distance) P-C4' energy: -3.532 flat angles C4'-P-C4' energy: -3.994 flat angles P-C4'-P energy: -3.332 tors. eta vs tors. theta energy: -4.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -23.717401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.717401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.717401 (E_RNA) where: Base-Base interactions energy: -7.797 where: short stacking energy: -7.797 Base-Backbone interact. energy: -0.005 local terms energy: -15.915603 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.433 flat angles P-C4'-P energy: -2.611 tors. eta vs tors. theta energy: 0.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -25.422669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.422669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.422669 (E_RNA) where: Base-Base interactions energy: -7.203 where: short stacking energy: -7.203 Base-Backbone interact. energy: -0.000 local terms energy: -18.219877 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.416 flat angles C4'-P-C4' energy: -2.877 flat angles P-C4'-P energy: -3.043 tors. eta vs tors. theta energy: -3.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -22.889084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.889084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.889084 (E_RNA) where: Base-Base interactions energy: -4.403 where: short stacking energy: -4.403 Base-Backbone interact. energy: -0.000 local terms energy: -18.486365 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.346 flat angles C4'-P-C4' energy: -4.805 flat angles P-C4'-P energy: -2.661 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: 7, replica: 6 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -21.829187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.829187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.829187 (E_RNA) where: Base-Base interactions energy: -5.868 where: short stacking energy: -5.868 Base-Backbone interact. energy: -0.003 local terms energy: -15.958223 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -3.532 flat angles C4'-P-C4' energy: -4.561 flat angles P-C4'-P energy: -3.630 tors. eta vs tors. theta energy: 0.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -21.551220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.551220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.551220 (E_RNA) where: Base-Base interactions energy: -6.203 where: short stacking energy: -6.203 Base-Backbone interact. energy: -0.000 local terms energy: -15.348401 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -3.984 flat angles C4'-P-C4' energy: -3.413 flat angles P-C4'-P energy: -2.359 tors. eta vs tors. theta energy: -1.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -21.580531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.580531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.580531 (E_RNA) where: Base-Base interactions energy: -7.559 where: short stacking energy: -7.613 Base-Backbone interact. energy: -0.001 local terms energy: -14.020253 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -2.831 flat angles P-C4'-P energy: -2.408 tors. eta vs tors. theta energy: -0.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -22.144315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.144315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.144315 (E_RNA) where: Base-Base interactions energy: -7.706 where: short stacking energy: -7.706 Base-Backbone interact. energy: -0.004 local terms energy: -14.434833 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -4.102 flat angles P-C4'-P energy: -2.689 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: 8 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -32.021354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.021354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.021354 (E_RNA) where: Base-Base interactions energy: -11.274 where: short stacking energy: -11.274 Base-Backbone interact. energy: -0.000 local terms energy: -20.747696 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.697 flat angles P-C4'-P energy: -2.872 tors. eta vs tors. theta energy: -4.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -32.791293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.791293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.791293 (E_RNA) where: Base-Base interactions energy: -11.443 where: short stacking energy: -11.443 Base-Backbone interact. energy: -0.000 local terms energy: -21.347820 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.555 flat angles P-C4'-P energy: -3.044 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: 3, replica: 10 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -21.125638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.125638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.125638 (E_RNA) where: Base-Base interactions energy: -3.973 where: short stacking energy: -3.973 Base-Backbone interact. energy: -0.000 local terms energy: -17.152711 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.609 flat angles P-C4'-P energy: -3.588 tors. eta vs tors. theta energy: 0.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -26.224704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.224704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.224704 (E_RNA) where: Base-Base interactions energy: -7.480 where: short stacking energy: -7.480 Base-Backbone interact. energy: -0.000 local terms energy: -18.744392 where: bonds (distance) C4'-P energy: -3.273 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.692 flat angles P-C4'-P energy: -2.913 tors. eta vs tors. theta energy: -3.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -26.845133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.845133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.845133 (E_RNA) where: Base-Base interactions energy: -10.619 where: short stacking energy: -10.619 Base-Backbone interact. energy: -0.000 local terms energy: -16.226262 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -2.609 flat angles P-C4'-P energy: -1.288 tors. eta vs tors. theta energy: -2.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -23.196385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.196385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.196385 (E_RNA) where: Base-Base interactions energy: -8.117 where: short stacking energy: -8.117 Base-Backbone interact. energy: 0.081 local terms energy: -15.160131 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -3.885 flat angles C4'-P-C4' energy: -2.834 flat angles P-C4'-P energy: -2.730 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: 6 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -18.759820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.759820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.759820 (E_RNA) where: Base-Base interactions energy: -3.457 where: short stacking energy: -3.457 Base-Backbone interact. energy: -0.021 local terms energy: -15.281564 where: bonds (distance) C4'-P energy: -3.939 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.811 flat angles P-C4'-P energy: -3.052 tors. eta vs tors. theta energy: 0.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -23.152092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.152092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.152092 (E_RNA) where: Base-Base interactions energy: -6.964 where: short stacking energy: -6.964 Base-Backbone interact. energy: -0.000 local terms energy: -16.187601 where: bonds (distance) C4'-P energy: -3.645 bonds (distance) P-C4' energy: -4.205 flat angles C4'-P-C4' energy: -4.576 flat angles P-C4'-P energy: -2.093 tors. eta vs tors. theta energy: -1.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -19.081337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.081337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.081337 (E_RNA) where: Base-Base interactions energy: -3.037 where: short stacking energy: -3.037 Base-Backbone interact. energy: -0.001 local terms energy: -16.043418 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.851 flat angles P-C4'-P energy: -3.957 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: 1 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -20.805712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.805712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.805712 (E_RNA) where: Base-Base interactions energy: -7.141 where: short stacking energy: -7.141 Base-Backbone interact. energy: -0.126 local terms energy: -13.538519 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.417 flat angles C4'-P-C4' energy: -1.919 flat angles P-C4'-P energy: -2.315 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: 1, replica: 7 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -29.814594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.814594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.814594 (E_RNA) where: Base-Base interactions energy: -11.644 where: short stacking energy: -11.644 Base-Backbone interact. energy: -0.001 local terms energy: -18.169207 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.265 flat angles P-C4'-P energy: -3.702 tors. eta vs tors. theta energy: -1.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -32.558576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.558576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.558576 (E_RNA) where: Base-Base interactions energy: -11.644 where: short stacking energy: -11.644 Base-Backbone interact. energy: -0.000 local terms energy: -20.914417 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.051 flat angles P-C4'-P energy: -3.862 tors. eta vs tors. theta energy: -5.021 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: 4 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -28.965489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.965489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.965489 (E_RNA) where: Base-Base interactions energy: -7.719 where: short stacking energy: -7.719 Base-Backbone interact. energy: -0.000 local terms energy: -21.246286 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.668 flat angles P-C4'-P energy: -3.659 tors. eta vs tors. theta energy: -3.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -23.080830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.080830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.080830 (E_RNA) where: Base-Base interactions energy: -5.830 where: short stacking energy: -5.830 Base-Backbone interact. energy: -0.005 local terms energy: -17.245790 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -1.736 flat angles P-C4'-P energy: -3.221 tors. eta vs tors. theta energy: -2.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -21.332623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.332623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.332623 (E_RNA) where: Base-Base interactions energy: -5.696 where: short stacking energy: -5.826 Base-Backbone interact. energy: -0.001 local terms energy: -15.635394 where: bonds (distance) C4'-P energy: -2.920 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.368 flat angles P-C4'-P energy: -3.348 tors. eta vs tors. theta energy: -0.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -22.848518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.848518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.848518 (E_RNA) where: Base-Base interactions energy: -7.248 where: short stacking energy: -7.248 Base-Backbone interact. energy: -0.099 local terms energy: -15.501795 where: bonds (distance) C4'-P energy: -3.637 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.559 flat angles P-C4'-P energy: -2.088 tors. eta vs tors. theta energy: -0.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -23.858142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.858142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.858142 (E_RNA) where: Base-Base interactions energy: -9.308 where: short stacking energy: -9.308 Base-Backbone interact. energy: -0.000 local terms energy: -14.549940 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.793 flat angles C4'-P-C4' energy: -1.921 flat angles P-C4'-P energy: -2.734 tors. eta vs tors. theta energy: -1.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -27.572446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.572446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.572446 (E_RNA) where: Base-Base interactions energy: -9.671 where: short stacking energy: -9.671 Base-Backbone interact. energy: -0.000 local terms energy: -17.901060 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -3.296 flat angles C4'-P-C4' energy: -4.388 flat angles P-C4'-P energy: -3.533 tors. eta vs tors. theta energy: -2.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -23.292305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.292305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.292305 (E_RNA) where: Base-Base interactions energy: -6.668 where: short stacking energy: -6.668 Base-Backbone interact. energy: -0.003 local terms energy: -16.620751 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.044 flat angles C4'-P-C4' energy: -3.586 flat angles P-C4'-P energy: -3.514 tors. eta vs tors. theta energy: -1.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -21.574146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.574146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.574146 (E_RNA) where: Base-Base interactions energy: -4.675 where: short stacking energy: -4.675 Base-Backbone interact. energy: -0.127 local terms energy: -16.771501 where: bonds (distance) C4'-P energy: -3.939 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.245 flat angles P-C4'-P energy: -3.473 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: 1, replica: 7 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -30.634876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.634876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.634876 (E_RNA) where: Base-Base interactions energy: -12.318 where: short stacking energy: -12.318 Base-Backbone interact. energy: -0.000 local terms energy: -18.316775 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.063 flat angles P-C4'-P energy: -2.542 tors. eta vs tors. theta energy: -2.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -27.582369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.582369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.582369 (E_RNA) where: Base-Base interactions energy: -9.185 where: short stacking energy: -9.185 Base-Backbone interact. energy: -0.000 local terms energy: -18.397409 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.046 flat angles P-C4'-P energy: -3.199 tors. eta vs tors. theta energy: -2.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -26.159315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.159315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.159315 (E_RNA) where: Base-Base interactions energy: -8.339 where: short stacking energy: -8.339 Base-Backbone interact. energy: -0.000 local terms energy: -17.820646 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.606 flat angles C4'-P-C4' energy: -3.744 flat angles P-C4'-P energy: -3.655 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: 4, replica: 9 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -23.949620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.949620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.949620 (E_RNA) where: Base-Base interactions energy: -7.077 where: short stacking energy: -7.077 Base-Backbone interact. energy: -0.000 local terms energy: -16.872524 where: bonds (distance) C4'-P energy: -2.751 bonds (distance) P-C4' energy: -3.205 flat angles C4'-P-C4' energy: -4.083 flat angles P-C4'-P energy: -3.273 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: 5, replica: 10 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -24.859504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.859504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.859504 (E_RNA) where: Base-Base interactions energy: -6.862 where: short stacking energy: -6.862 Base-Backbone interact. energy: -0.278 local terms energy: -17.719303 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.571 flat angles P-C4'-P energy: -2.316 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: 6, replica: 5 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -23.010999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.010999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.010999 (E_RNA) where: Base-Base interactions energy: -2.649 where: short stacking energy: -2.649 Base-Backbone interact. energy: -0.000 local terms energy: -20.362350 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.466 flat angles P-C4'-P energy: -3.381 tors. eta vs tors. theta energy: -3.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -21.242076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.242076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.242076 (E_RNA) where: Base-Base interactions energy: -4.898 where: short stacking energy: -4.898 Base-Backbone interact. energy: -0.020 local terms energy: -16.324630 where: bonds (distance) C4'-P energy: -3.566 bonds (distance) P-C4' energy: -4.575 flat angles C4'-P-C4' energy: -4.271 flat angles P-C4'-P energy: -2.922 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: 8, replica: 1 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -26.771520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.771520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.771520 (E_RNA) where: Base-Base interactions energy: -7.616 where: short stacking energy: -7.616 Base-Backbone interact. energy: -0.000 local terms energy: -19.155792 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.392 flat angles C4'-P-C4' energy: -4.683 flat angles P-C4'-P energy: -1.991 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: 6 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -21.334580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.334580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.334580 (E_RNA) where: Base-Base interactions energy: -5.145 where: short stacking energy: -5.145 Base-Backbone interact. energy: -0.000 local terms energy: -16.189857 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.394 flat angles P-C4'-P energy: -1.961 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: 2 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -20.844092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.844092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.844092 (E_RNA) where: Base-Base interactions energy: -5.202 where: short stacking energy: -5.202 Base-Backbone interact. energy: -0.000 local terms energy: -15.642369 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -2.302 flat angles P-C4'-P energy: -3.357 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: 1, replica: 4 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -28.885264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.885264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.885264 (E_RNA) where: Base-Base interactions energy: -11.365 where: short stacking energy: -11.365 Base-Backbone interact. energy: -0.000 local terms energy: -17.520530 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -3.643 flat angles C4'-P-C4' energy: -4.313 flat angles P-C4'-P energy: -3.076 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: 2, replica: 7 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -26.541656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.541656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.541656 (E_RNA) where: Base-Base interactions energy: -8.887 where: short stacking energy: -8.887 Base-Backbone interact. energy: -0.000 local terms energy: -17.654761 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.360 flat angles P-C4'-P energy: -3.063 tors. eta vs tors. theta energy: -2.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -25.735007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.735007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.735007 (E_RNA) where: Base-Base interactions energy: -7.587 where: short stacking energy: -7.587 Base-Backbone interact. energy: -0.000 local terms energy: -18.147437 where: bonds (distance) C4'-P energy: -3.158 bonds (distance) P-C4' energy: -4.441 flat angles C4'-P-C4' energy: -4.116 flat angles P-C4'-P energy: -3.105 tors. eta vs tors. theta energy: -3.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -25.376089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.376089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.376089 (E_RNA) where: Base-Base interactions energy: -6.291 where: short stacking energy: -6.291 Base-Backbone interact. energy: -0.000 local terms energy: -19.084666 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.326 flat angles P-C4'-P energy: -2.655 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: 5, replica: 5 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -23.151941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.151941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.151941 (E_RNA) where: Base-Base interactions energy: -4.065 where: short stacking energy: -4.065 Base-Backbone interact. energy: -0.009 local terms energy: -19.078368 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.167 flat angles P-C4'-P energy: -2.824 tors. eta vs tors. theta energy: -2.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -26.445227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.445227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.445227 (E_RNA) where: Base-Base interactions energy: -7.133 where: short stacking energy: -7.133 Base-Backbone interact. energy: -0.000 local terms energy: -19.311366 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -4.666 flat angles P-C4'-P energy: -2.852 tors. eta vs tors. theta energy: -3.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -23.205812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.205812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.205812 (E_RNA) where: Base-Base interactions energy: -6.357 where: short stacking energy: -6.357 Base-Backbone interact. energy: -0.000 local terms energy: -16.848746 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -3.821 flat angles C4'-P-C4' energy: -3.555 flat angles P-C4'-P energy: -2.243 tors. eta vs tors. theta energy: -2.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -23.372196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.372196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.372196 (E_RNA) where: Base-Base interactions energy: -6.909 where: short stacking energy: -6.909 Base-Backbone interact. energy: -0.000 local terms energy: -16.462770 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -4.225 flat angles P-C4'-P energy: -1.229 tors. eta vs tors. theta energy: -1.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -22.339010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.339010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.339010 (E_RNA) where: Base-Base interactions energy: -4.512 where: short stacking energy: -4.512 Base-Backbone interact. energy: -0.022 local terms energy: -17.805204 where: bonds (distance) C4'-P energy: -3.861 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.632 flat angles P-C4'-P energy: -2.327 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: 10, replica: 6 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -25.011578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.011578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.011578 (E_RNA) where: Base-Base interactions energy: -6.482 where: short stacking energy: -6.482 Base-Backbone interact. energy: -0.000 local terms energy: -18.529150 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.191 flat angles P-C4'-P energy: -2.326 tors. eta vs tors. theta energy: -2.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -29.509556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.509556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.509556 (E_RNA) where: Base-Base interactions energy: -11.620 where: short stacking energy: -11.620 Base-Backbone interact. energy: -0.001 local terms energy: -17.888931 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.051 flat angles C4'-P-C4' energy: -4.040 flat angles P-C4'-P energy: -2.966 tors. eta vs tors. theta energy: -2.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -28.560972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.560972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.560972 (E_RNA) where: Base-Base interactions energy: -12.023 where: short stacking energy: -12.023 Base-Backbone interact. energy: -0.000 local terms energy: -16.538086 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -2.612 flat angles C4'-P-C4' energy: -3.749 flat angles P-C4'-P energy: -3.345 tors. eta vs tors. theta energy: -2.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -23.065048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.065048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.065048 (E_RNA) where: Base-Base interactions energy: -6.559 where: short stacking energy: -6.559 Base-Backbone interact. energy: -0.006 local terms energy: -16.500051 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -4.453 flat angles P-C4'-P energy: -2.073 tors. eta vs tors. theta energy: -1.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -23.410668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.410668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.410668 (E_RNA) where: Base-Base interactions energy: -7.204 where: short stacking energy: -7.204 Base-Backbone interact. energy: -0.000 local terms energy: -16.206855 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -3.923 flat angles C4'-P-C4' energy: -4.324 flat angles P-C4'-P energy: -3.427 tors. eta vs tors. theta energy: -0.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -25.141644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.141644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.141644 (E_RNA) where: Base-Base interactions energy: -8.162 where: short stacking energy: -8.162 Base-Backbone interact. energy: -0.001 local terms energy: -16.979167 where: bonds (distance) C4'-P energy: -3.673 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.981 flat angles P-C4'-P energy: -2.795 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: 1 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -23.387168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.387168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.387168 (E_RNA) where: Base-Base interactions energy: -7.370 where: short stacking energy: -7.370 Base-Backbone interact. energy: -0.000 local terms energy: -16.017151 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -2.553 flat angles P-C4'-P energy: -0.822 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: 7, replica: 10 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -22.337593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.337593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.337593 (E_RNA) where: Base-Base interactions energy: -6.780 where: short stacking energy: -6.780 Base-Backbone interact. energy: -0.000 local terms energy: -15.557189 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -2.825 flat angles P-C4'-P energy: -3.343 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: 3 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -18.642656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.642656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.642656 (E_RNA) where: Base-Base interactions energy: -3.044 where: short stacking energy: -3.044 Base-Backbone interact. energy: -0.002 local terms energy: -15.597448 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -4.392 flat angles C4'-P-C4' energy: -3.837 flat angles P-C4'-P energy: -2.718 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: 9, replica: 2 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -21.407218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.407218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.407218 (E_RNA) where: Base-Base interactions energy: -5.808 where: short stacking energy: -5.808 Base-Backbone interact. energy: -0.004 local terms energy: -15.595813 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -3.548 flat angles C4'-P-C4' energy: -2.535 flat angles P-C4'-P energy: -3.277 tors. eta vs tors. theta energy: -1.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -20.421629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.421629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.421629 (E_RNA) where: Base-Base interactions energy: -2.982 where: short stacking energy: -2.982 Base-Backbone interact. energy: -0.000 local terms energy: -17.439337 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.507 flat angles P-C4'-P energy: -3.622 tors. eta vs tors. theta energy: -1.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -32.545369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.545369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.545369 (E_RNA) where: Base-Base interactions energy: -12.201 where: short stacking energy: -12.201 Base-Backbone interact. energy: -0.000 local terms energy: -20.344340 where: bonds (distance) C4'-P energy: -3.637 bonds (distance) P-C4' energy: -3.891 flat angles C4'-P-C4' energy: -4.855 flat angles P-C4'-P energy: -2.793 tors. eta vs tors. theta energy: -5.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -21.549998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.549998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.549998 (E_RNA) where: Base-Base interactions energy: -3.785 where: short stacking energy: -3.785 Base-Backbone interact. energy: -0.000 local terms energy: -17.764461 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -2.618 flat angles P-C4'-P energy: -3.437 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: 3, replica: 8 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -23.438194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.438194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.438194 (E_RNA) where: Base-Base interactions energy: -7.814 where: short stacking energy: -7.814 Base-Backbone interact. energy: -0.000 local terms energy: -15.623832 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -3.032 flat angles C4'-P-C4' energy: -3.427 flat angles P-C4'-P energy: -3.800 tors. eta vs tors. theta energy: -1.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -25.547268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.547268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.547268 (E_RNA) where: Base-Base interactions energy: -8.916 where: short stacking energy: -8.916 Base-Backbone interact. energy: -0.013 local terms energy: -16.617976 where: bonds (distance) C4'-P energy: -2.006 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.332 flat angles P-C4'-P energy: -2.745 tors. eta vs tors. theta energy: -3.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -24.766952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.766952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.766952 (E_RNA) where: Base-Base interactions energy: -8.398 where: short stacking energy: -8.398 Base-Backbone interact. energy: -0.002 local terms energy: -16.366415 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -3.764 flat angles P-C4'-P energy: -1.414 tors. eta vs tors. theta energy: -2.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -23.827573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.827573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.827573 (E_RNA) where: Base-Base interactions energy: -7.609 where: short stacking energy: -7.609 Base-Backbone interact. energy: -0.858 local terms energy: -15.360171 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -3.815 flat angles C4'-P-C4' energy: -4.025 flat angles P-C4'-P energy: -3.470 tors. eta vs tors. theta energy: 0.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -24.771048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.771048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.771048 (E_RNA) where: Base-Base interactions energy: -6.005 where: short stacking energy: -6.005 Base-Backbone interact. energy: -0.001 local terms energy: -18.764909 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.746 flat angles P-C4'-P energy: -3.674 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: 8, replica: 10 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -20.696794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.696794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.696794 (E_RNA) where: Base-Base interactions energy: -5.730 where: short stacking energy: -5.730 Base-Backbone interact. energy: -0.000 local terms energy: -14.967136 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -3.553 flat angles C4'-P-C4' energy: -1.291 flat angles P-C4'-P energy: -3.491 tors. eta vs tors. theta energy: -3.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -22.231813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.231813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.231813 (E_RNA) where: Base-Base interactions energy: -4.520 where: short stacking energy: -4.520 Base-Backbone interact. energy: -0.000 local terms energy: -17.712014 where: bonds (distance) C4'-P energy: -3.301 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.220 flat angles P-C4'-P energy: -2.656 tors. eta vs tors. theta energy: -2.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -21.187621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.187621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.187621 (E_RNA) where: Base-Base interactions energy: -4.685 where: short stacking energy: -4.685 Base-Backbone interact. energy: -0.000 local terms energy: -16.502071 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.639 flat angles P-C4'-P energy: -3.348 tors. eta vs tors. theta energy: -0.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -32.588399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.588399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.588399 (E_RNA) where: Base-Base interactions energy: -11.414 where: short stacking energy: -11.414 Base-Backbone interact. energy: -0.000 local terms energy: -21.173984 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.662 flat angles P-C4'-P energy: -3.388 tors. eta vs tors. theta energy: -3.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -26.453448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.453448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.453448 (E_RNA) where: Base-Base interactions energy: -8.795 where: short stacking energy: -8.795 Base-Backbone interact. energy: -0.001 local terms energy: -17.657324 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.186 flat angles P-C4'-P energy: -3.104 tors. eta vs tors. theta energy: -2.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -27.781676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.781676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.781676 (E_RNA) where: Base-Base interactions energy: -8.846 where: short stacking energy: -8.846 Base-Backbone interact. energy: -0.000 local terms energy: -18.936101 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -3.726 flat angles C4'-P-C4' energy: -4.587 flat angles P-C4'-P energy: -2.427 tors. eta vs tors. theta energy: -3.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -27.064755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.064755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.064755 (E_RNA) where: Base-Base interactions energy: -10.439 where: short stacking energy: -10.732 Base-Backbone interact. energy: -0.006 local terms energy: -16.619851 where: bonds (distance) C4'-P energy: -3.939 bonds (distance) P-C4' energy: -3.131 flat angles C4'-P-C4' energy: -4.012 flat angles P-C4'-P energy: -3.831 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: 7 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -26.552263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.552263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.552263 (E_RNA) where: Base-Base interactions energy: -9.833 where: short stacking energy: -9.833 Base-Backbone interact. energy: -0.001 local terms energy: -16.718900 where: bonds (distance) C4'-P energy: -2.672 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.249 flat angles P-C4'-P energy: -3.598 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: 6, replica: 3 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -22.755821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.755821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.755821 (E_RNA) where: Base-Base interactions energy: -5.536 where: short stacking energy: -5.536 Base-Backbone interact. energy: -0.040 local terms energy: -17.179774 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.610 flat angles P-C4'-P energy: -3.434 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: 7, replica: 5 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -25.536705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.536705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.536705 (E_RNA) where: Base-Base interactions energy: -6.856 where: short stacking energy: -6.856 Base-Backbone interact. energy: -0.000 local terms energy: -18.680389 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.569 flat angles C4'-P-C4' energy: -4.413 flat angles P-C4'-P energy: -2.568 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: 8, replica: 6 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -21.619891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.619891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.619891 (E_RNA) where: Base-Base interactions energy: -3.825 where: short stacking energy: -3.825 Base-Backbone interact. energy: -0.002 local terms energy: -17.793044 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -3.836 flat angles P-C4'-P energy: -3.887 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: 9, replica: 10 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -20.794115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.794115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.794115 (E_RNA) where: Base-Base interactions energy: -5.043 where: short stacking energy: -5.043 Base-Backbone interact. energy: -0.000 local terms energy: -15.750670 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.694 flat angles P-C4'-P energy: -1.568 tors. eta vs tors. theta energy: -2.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -22.993961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.993961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.993961 (E_RNA) where: Base-Base interactions energy: -7.012 where: short stacking energy: -7.012 Base-Backbone interact. energy: -0.000 local terms energy: -15.981975 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.434 flat angles P-C4'-P energy: 0.073 tors. eta vs tors. theta energy: -3.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -25.207173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.207173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.207173 (E_RNA) where: Base-Base interactions energy: -5.853 where: short stacking energy: -5.853 Base-Backbone interact. energy: -0.000 local terms energy: -19.354508 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.525 flat angles P-C4'-P energy: -3.441 tors. eta vs tors. theta energy: -2.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -29.374871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.374871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.374871 (E_RNA) where: Base-Base interactions energy: -10.486 where: short stacking energy: -10.486 Base-Backbone interact. energy: -0.000 local terms energy: -18.888872 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.578 flat angles C4'-P-C4' energy: -4.875 flat angles P-C4'-P energy: -3.112 tors. eta vs tors. theta energy: -1.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -22.191128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.191128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.191128 (E_RNA) where: Base-Base interactions energy: -3.848 where: short stacking energy: -3.848 Base-Backbone interact. energy: -0.093 local terms energy: -18.250459 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.892 flat angles C4'-P-C4' energy: -4.839 flat angles P-C4'-P energy: -3.816 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: 4, replica: 9 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -23.406560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.406560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.406560 (E_RNA) where: Base-Base interactions energy: -10.243 where: short stacking energy: -10.243 Base-Backbone interact. energy: -0.000 local terms energy: -13.163576 where: bonds (distance) C4'-P energy: -2.510 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -3.506 flat angles P-C4'-P energy: -1.750 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: 5, replica: 3 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -25.878723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.878723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.878723 (E_RNA) where: Base-Base interactions energy: -9.393 where: short stacking energy: -9.393 Base-Backbone interact. energy: -0.033 local terms energy: -16.453187 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -4.572 flat angles C4'-P-C4' energy: -2.421 flat angles P-C4'-P energy: -3.772 tors. eta vs tors. theta energy: -1.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -26.238794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.238794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.238794 (E_RNA) where: Base-Base interactions energy: -6.790 where: short stacking energy: -6.790 Base-Backbone interact. energy: -0.010 local terms energy: -19.439522 where: bonds (distance) C4'-P energy: -4.009 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.392 flat angles P-C4'-P energy: -3.625 tors. eta vs tors. theta energy: -3.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -23.514694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.514694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.514694 (E_RNA) where: Base-Base interactions energy: -10.387 where: short stacking energy: -10.387 Base-Backbone interact. energy: -0.000 local terms energy: -13.127067 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: 0.096 flat angles P-C4'-P energy: -1.825 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: 8, replica: 5 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -19.288212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.288212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.288212 (E_RNA) where: Base-Base interactions energy: -4.067 where: short stacking energy: -4.067 Base-Backbone interact. energy: -0.000 local terms energy: -15.220798 where: bonds (distance) C4'-P energy: -2.097 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.694 flat angles P-C4'-P energy: -2.867 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: 9, replica: 2 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -18.866538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.866538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.866538 (E_RNA) where: Base-Base interactions energy: -1.445 where: short stacking energy: -1.445 Base-Backbone interact. energy: -0.016 local terms energy: -17.406105 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.475 flat angles P-C4'-P energy: -2.843 tors. eta vs tors. theta energy: -1.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -20.805221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.805221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.805221 (E_RNA) where: Base-Base interactions energy: -4.532 where: short stacking energy: -4.532 Base-Backbone interact. energy: -0.001 local terms energy: -16.272363 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -4.606 flat angles P-C4'-P energy: -0.805 tors. eta vs tors. theta energy: -2.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -27.716293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.716293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.716293 (E_RNA) where: Base-Base interactions energy: -8.286 where: short stacking energy: -8.286 Base-Backbone interact. energy: -0.000 local terms energy: -19.430514 where: bonds (distance) C4'-P energy: -3.567 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.452 flat angles P-C4'-P energy: -2.160 tors. eta vs tors. theta energy: -3.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -24.844162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.844162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.844162 (E_RNA) where: Base-Base interactions energy: -7.999 where: short stacking energy: -7.999 Base-Backbone interact. energy: -0.028 local terms energy: -16.817072 where: bonds (distance) C4'-P energy: -4.341 bonds (distance) P-C4' energy: -4.054 flat angles C4'-P-C4' energy: -4.290 flat angles P-C4'-P energy: -1.931 tors. eta vs tors. theta energy: -2.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -24.968608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.968608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.968608 (E_RNA) where: Base-Base interactions energy: -8.172 where: short stacking energy: -8.172 Base-Backbone interact. energy: -0.036 local terms energy: -16.760565 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.564 flat angles P-C4'-P energy: -2.689 tors. eta vs tors. theta energy: -1.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -22.784858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.784858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.784858 (E_RNA) where: Base-Base interactions energy: -3.969 where: short stacking energy: -3.969 Base-Backbone interact. energy: -0.031 local terms energy: -18.785175 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.167 flat angles P-C4'-P energy: -2.894 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: 5, replica: 9 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -21.062892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.062892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.062892 (E_RNA) where: Base-Base interactions energy: -4.149 where: short stacking energy: -4.149 Base-Backbone interact. energy: -0.007 local terms energy: -16.907112 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -4.750 flat angles P-C4'-P energy: -3.795 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: 6, replica: 6 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -23.378353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.378353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.378353 (E_RNA) where: Base-Base interactions energy: -5.960 where: short stacking energy: -5.960 Base-Backbone interact. energy: -0.003 local terms energy: -17.415852 where: bonds (distance) C4'-P energy: -2.672 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.129 flat angles P-C4'-P energy: -3.477 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: 7, replica: 7 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -22.571869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.571869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.571869 (E_RNA) where: Base-Base interactions energy: -5.338 where: short stacking energy: -5.338 Base-Backbone interact. energy: -0.001 local terms energy: -17.233014 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -4.839 flat angles P-C4'-P energy: -2.665 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: 8, replica: 2 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -24.019518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.019518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.019518 (E_RNA) where: Base-Base interactions energy: -7.800 where: short stacking energy: -8.339 Base-Backbone interact. energy: -0.000 local terms energy: -16.219225 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.811 flat angles C4'-P-C4' energy: -4.034 flat angles P-C4'-P energy: -1.257 tors. eta vs tors. theta energy: -2.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -24.812496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.812496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.812496 (E_RNA) where: Base-Base interactions energy: -7.839 where: short stacking energy: -7.839 Base-Backbone interact. energy: -0.000 local terms energy: -16.973655 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.647 flat angles P-C4'-P energy: 0.770 tors. eta vs tors. theta energy: -3.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -28.391949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.391949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.391949 (E_RNA) where: Base-Base interactions energy: -9.717 where: short stacking energy: -9.717 Base-Backbone interact. energy: -0.000 local terms energy: -18.674757 where: bonds (distance) C4'-P energy: -3.450 bonds (distance) P-C4' energy: -3.916 flat angles C4'-P-C4' energy: -4.048 flat angles P-C4'-P energy: -2.560 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: 1, replica: 1 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -25.475111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.475111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.475111 (E_RNA) where: Base-Base interactions energy: -8.613 where: short stacking energy: -8.613 Base-Backbone interact. energy: -0.001 local terms energy: -16.861249 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -3.642 flat angles P-C4'-P energy: -3.054 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: 2, replica: 8 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -31.404730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.404730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.404730 (E_RNA) where: Base-Base interactions energy: -11.422 where: short stacking energy: -11.422 Base-Backbone interact. energy: -0.000 local terms energy: -19.982929 where: bonds (distance) C4'-P energy: -4.270 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -3.791 flat angles P-C4'-P energy: -2.966 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: 3, replica: 3 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -26.317782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.317782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.317782 (E_RNA) where: Base-Base interactions energy: -6.473 where: short stacking energy: -6.473 Base-Backbone interact. energy: -0.000 local terms energy: -19.844298 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.123 flat angles P-C4'-P energy: -3.082 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: 4, replica: 4 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -22.966977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.966977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.966977 (E_RNA) where: Base-Base interactions energy: -8.032 where: short stacking energy: -8.032 Base-Backbone interact. energy: -0.124 local terms energy: -14.811421 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -3.329 flat angles C4'-P-C4' energy: -1.880 flat angles P-C4'-P energy: -2.512 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: 5, replica: 6 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -25.492718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.492718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.492718 (E_RNA) where: Base-Base interactions energy: -9.220 where: short stacking energy: -9.220 Base-Backbone interact. energy: 0.867 local terms energy: -17.139161 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.425 flat angles P-C4'-P energy: -1.192 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: 9 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -23.466163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.466163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.466163 (E_RNA) where: Base-Base interactions energy: -2.528 where: short stacking energy: -2.528 Base-Backbone interact. energy: -0.000 local terms energy: -20.938158 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.460 flat angles P-C4'-P energy: -3.715 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: 7, replica: 2 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -24.383752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.383752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.383752 (E_RNA) where: Base-Base interactions energy: -5.255 where: short stacking energy: -5.255 Base-Backbone interact. energy: -0.000 local terms energy: -19.128345 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.229 flat angles P-C4'-P energy: -4.034 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: 8, replica: 7 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -21.247233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.247233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.247233 (E_RNA) where: Base-Base interactions energy: -5.845 where: short stacking energy: -5.845 Base-Backbone interact. energy: -0.000 local terms energy: -15.402332 where: bonds (distance) C4'-P energy: -3.277 bonds (distance) P-C4' energy: -3.786 flat angles C4'-P-C4' energy: -3.711 flat angles P-C4'-P energy: -2.979 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: 9, replica: 10 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -21.494887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.494887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.494887 (E_RNA) where: Base-Base interactions energy: -4.666 where: short stacking energy: -4.666 Base-Backbone interact. energy: -0.660 local terms energy: -16.168811 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -4.057 flat angles C4'-P-C4' energy: -3.694 flat angles P-C4'-P energy: -2.571 tors. eta vs tors. theta energy: -2.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -21.686857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.686857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.686857 (E_RNA) where: Base-Base interactions energy: -5.462 where: short stacking energy: -5.462 Base-Backbone interact. energy: -0.000 local terms energy: -16.224961 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.119 flat angles P-C4'-P energy: -2.384 tors. eta vs tors. theta energy: -0.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -24.450310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.450310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.450310 (E_RNA) where: Base-Base interactions energy: -6.838 where: short stacking energy: -6.838 Base-Backbone interact. energy: -0.007 local terms energy: -17.604802 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.432 flat angles P-C4'-P energy: -4.098 tors. eta vs tors. theta energy: 0.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -30.383059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.383059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.383059 (E_RNA) where: Base-Base interactions energy: -12.148 where: short stacking energy: -12.148 Base-Backbone interact. energy: -0.048 local terms energy: -18.187416 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.702 flat angles P-C4'-P energy: -1.839 tors. eta vs tors. theta energy: -3.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -25.226752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.226752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.226752 (E_RNA) where: Base-Base interactions energy: -6.098 where: short stacking energy: -6.098 Base-Backbone interact. energy: -0.000 local terms energy: -19.128663 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.850 flat angles P-C4'-P energy: -2.758 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: 6 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -25.143761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.143761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.143761 (E_RNA) where: Base-Base interactions energy: -7.548 where: short stacking energy: -7.548 Base-Backbone interact. energy: -0.000 local terms energy: -17.595571 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.279 flat angles P-C4'-P energy: -3.474 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: 4 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -28.780761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.780761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.780761 (E_RNA) where: Base-Base interactions energy: -7.371 where: short stacking energy: -7.371 Base-Backbone interact. energy: -0.000 local terms energy: -21.409484 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -4.281 flat angles P-C4'-P energy: -3.511 tors. eta vs tors. theta energy: -4.683 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: 9 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -19.740229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.740229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.740229 (E_RNA) where: Base-Base interactions energy: -3.693 where: short stacking energy: -3.693 Base-Backbone interact. energy: -0.015 local terms energy: -16.032732 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -4.334 flat angles P-C4'-P energy: -3.489 tors. eta vs tors. theta energy: 0.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -24.627101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.627101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.627101 (E_RNA) where: Base-Base interactions energy: -7.488 where: short stacking energy: -7.488 Base-Backbone interact. energy: -0.082 local terms energy: -17.057296 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: -1.970 tors. eta vs tors. theta energy: -1.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -24.404482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.404482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.404482 (E_RNA) where: Base-Base interactions energy: -7.258 where: short stacking energy: -7.258 Base-Backbone interact. energy: -0.018 local terms energy: -17.128290 where: bonds (distance) C4'-P energy: -3.053 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -2.760 flat angles P-C4'-P energy: -2.859 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: 9, replica: 7 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -22.614490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.614490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.614490 (E_RNA) where: Base-Base interactions energy: -7.996 where: short stacking energy: -7.996 Base-Backbone interact. energy: -0.000 local terms energy: -14.618449 where: bonds (distance) C4'-P energy: -3.194 bonds (distance) P-C4' energy: -3.494 flat angles C4'-P-C4' energy: -4.422 flat angles P-C4'-P energy: -2.075 tors. eta vs tors. theta energy: -1.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -24.335758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.335758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.335758 (E_RNA) where: Base-Base interactions energy: -10.614 where: short stacking energy: -10.614 Base-Backbone interact. energy: -0.053 local terms energy: -13.668324 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -2.241 flat angles C4'-P-C4' energy: -3.341 flat angles P-C4'-P energy: -2.277 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: 1, replica: 1 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -29.864278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.864278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.864278 (E_RNA) where: Base-Base interactions energy: -11.586 where: short stacking energy: -11.586 Base-Backbone interact. energy: -0.000 local terms energy: -18.277955 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.741 flat angles P-C4'-P energy: -2.058 tors. eta vs tors. theta energy: -3.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -30.344863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.344863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.344863 (E_RNA) where: Base-Base interactions energy: -11.543 where: short stacking energy: -11.543 Base-Backbone interact. energy: -0.000 local terms energy: -18.801915 where: bonds (distance) C4'-P energy: -2.920 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.712 flat angles P-C4'-P energy: -2.327 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: 3, replica: 6 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -23.814294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.814294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.814294 (E_RNA) where: Base-Base interactions energy: -7.758 where: short stacking energy: -7.758 Base-Backbone interact. energy: -0.020 local terms energy: -16.036127 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -4.614 flat angles P-C4'-P energy: -3.491 tors. eta vs tors. theta energy: 0.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -24.480705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.480705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.480705 (E_RNA) where: Base-Base interactions energy: -7.408 where: short stacking energy: -7.408 Base-Backbone interact. energy: -0.000 local terms energy: -17.072876 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -1.581 flat angles P-C4'-P energy: -2.838 tors. eta vs tors. theta energy: -2.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -28.044994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.044994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.044994 (E_RNA) where: Base-Base interactions energy: -10.210 where: short stacking energy: -10.210 Base-Backbone interact. energy: -0.001 local terms energy: -17.834548 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.858 flat angles P-C4'-P energy: -1.769 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: 6, replica: 4 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -21.807280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.807280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.807280 (E_RNA) where: Base-Base interactions energy: -8.414 where: short stacking energy: -8.414 Base-Backbone interact. energy: 2.779 local terms energy: -16.172512 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.559 flat angles P-C4'-P energy: -3.721 tors. eta vs tors. theta energy: 0.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -24.866967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.866967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.866967 (E_RNA) where: Base-Base interactions energy: -7.032 where: short stacking energy: -7.032 Base-Backbone interact. energy: -0.000 local terms energy: -17.834961 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.370 flat angles C4'-P-C4' energy: -4.059 flat angles P-C4'-P energy: -1.709 tors. eta vs tors. theta energy: -3.411 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: 2 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -22.146904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.146904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.146904 (E_RNA) where: Base-Base interactions energy: -5.874 where: short stacking energy: -5.874 Base-Backbone interact. energy: -0.000 local terms energy: -16.272589 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.222 flat angles P-C4'-P energy: -2.918 tors. eta vs tors. theta energy: -0.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -22.407747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.407747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.407747 (E_RNA) where: Base-Base interactions energy: -7.820 where: short stacking energy: -7.820 Base-Backbone interact. energy: -0.000 local terms energy: -14.588017 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -2.748 flat angles P-C4'-P energy: -1.316 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: 10, replica: 5 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -22.528726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.528726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.528726 (E_RNA) where: Base-Base interactions energy: -6.409 where: short stacking energy: -6.409 Base-Backbone interact. energy: -0.014 local terms energy: -16.106415 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.451 flat angles P-C4'-P energy: -0.581 tors. eta vs tors. theta energy: -1.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -26.586387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.586387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.586387 (E_RNA) where: Base-Base interactions energy: -8.108 where: short stacking energy: -8.108 Base-Backbone interact. energy: -0.005 local terms energy: -18.473699 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.287 flat angles P-C4'-P energy: -2.998 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: 2, replica: 6 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -22.556321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.556321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.556321 (E_RNA) where: Base-Base interactions energy: -7.613 where: short stacking energy: -7.613 Base-Backbone interact. energy: -0.000 local terms energy: -14.942963 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -3.839 flat angles P-C4'-P energy: -2.387 tors. eta vs tors. theta energy: -0.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -29.360621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.360621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.360621 (E_RNA) where: Base-Base interactions energy: -11.802 where: short stacking energy: -11.802 Base-Backbone interact. energy: -0.009 local terms energy: -17.549091 where: bonds (distance) C4'-P energy: -3.977 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -4.276 flat angles P-C4'-P energy: -3.053 tors. eta vs tors. theta energy: -1.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -24.499154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.499154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.499154 (E_RNA) where: Base-Base interactions energy: -3.985 where: short stacking energy: -3.985 Base-Backbone interact. energy: -0.000 local terms energy: -20.514150 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.830 flat angles P-C4'-P energy: -3.404 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: 8 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -29.209987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.209987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.209987 (E_RNA) where: Base-Base interactions energy: -9.952 where: short stacking energy: -9.952 Base-Backbone interact. energy: -0.000 local terms energy: -19.258101 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.279 flat angles P-C4'-P energy: -2.660 tors. eta vs tors. theta energy: -3.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -20.916822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.916822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.916822 (E_RNA) where: Base-Base interactions energy: -6.087 where: short stacking energy: -6.087 Base-Backbone interact. energy: -0.092 local terms energy: -14.737943 where: bonds (distance) C4'-P energy: -3.161 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.224 flat angles P-C4'-P energy: -2.024 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: 299 Temperature: 1.200000 Total energy: -23.201349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.201349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.201349 (E_RNA) where: Base-Base interactions energy: -5.625 where: short stacking energy: -5.625 Base-Backbone interact. energy: -0.019 local terms energy: -17.557960 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -3.652 flat angles C4'-P-C4' energy: -3.904 flat angles P-C4'-P energy: -2.634 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: 8, replica: 7 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -25.564767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.564767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.564767 (E_RNA) where: Base-Base interactions energy: -9.346 where: short stacking energy: -9.346 Base-Backbone interact. energy: -0.000 local terms energy: -16.219187 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -1.981 flat angles P-C4'-P energy: -3.094 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: 9, replica: 2 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -26.470258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.470258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.470258 (E_RNA) where: Base-Base interactions energy: -10.361 where: short stacking energy: -10.361 Base-Backbone interact. energy: -0.437 local terms energy: -15.671829 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -4.281 flat angles P-C4'-P energy: -0.820 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: 5 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -20.144328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.144328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.144328 (E_RNA) where: Base-Base interactions energy: -6.128 where: short stacking energy: -6.128 Base-Backbone interact. energy: -0.000 local terms energy: -14.016554 where: bonds (distance) C4'-P energy: -2.262 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -2.451 flat angles P-C4'-P energy: -1.862 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: 1, replica: 6 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -27.790825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.790825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.790825 (E_RNA) where: Base-Base interactions energy: -11.521 where: short stacking energy: -11.521 Base-Backbone interact. energy: -0.000 local terms energy: -16.269356 where: bonds (distance) C4'-P energy: -2.892 bonds (distance) P-C4' energy: -4.867 flat angles C4'-P-C4' energy: -4.589 flat angles P-C4'-P energy: -1.825 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: 2, replica: 1 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -22.515407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.515407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.515407 (E_RNA) where: Base-Base interactions energy: -4.181 where: short stacking energy: -4.181 Base-Backbone interact. energy: -0.000 local terms energy: -18.334023 where: bonds (distance) C4'-P energy: -3.869 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.275 flat angles P-C4'-P energy: -2.556 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: 3, replica: 9 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -24.660804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.660804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.660804 (E_RNA) where: Base-Base interactions energy: -6.407 where: short stacking energy: -6.407 Base-Backbone interact. energy: -0.001 local terms energy: -18.252834 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.290 flat angles P-C4'-P energy: -2.660 tors. eta vs tors. theta energy: -1.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -28.036137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.036137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.036137 (E_RNA) where: Base-Base interactions energy: -11.996 where: short stacking energy: -11.996 Base-Backbone interact. energy: -0.006 local terms energy: -16.035092 where: bonds (distance) C4'-P energy: -3.186 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.478 flat angles P-C4'-P energy: -2.428 tors. eta vs tors. theta energy: -1.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -26.895690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.895690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.895690 (E_RNA) where: Base-Base interactions energy: -10.566 where: short stacking energy: -10.566 Base-Backbone interact. energy: -0.067 local terms energy: -16.263154 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.343 flat angles C4'-P-C4' energy: -2.975 flat angles P-C4'-P energy: -2.991 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: 6, replica: 8 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -21.243911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.243911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.243911 (E_RNA) where: Base-Base interactions energy: -5.905 where: short stacking energy: -5.905 Base-Backbone interact. energy: -0.096 local terms energy: -15.242786 where: bonds (distance) C4'-P energy: -3.335 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.730 flat angles P-C4'-P energy: -3.900 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: 7, replica: 7 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -22.584303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.584303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.584303 (E_RNA) where: Base-Base interactions energy: -4.964 where: short stacking energy: -4.964 Base-Backbone interact. energy: -0.000 local terms energy: -17.620128 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -4.269 flat angles P-C4'-P energy: -2.405 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: 8, replica: 4 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -21.987006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.987006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.987006 (E_RNA) where: Base-Base interactions energy: -6.584 where: short stacking energy: -6.584 Base-Backbone interact. energy: -0.004 local terms energy: -15.398851 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.044 flat angles C4'-P-C4' energy: -3.795 flat angles P-C4'-P energy: -1.713 tors. eta vs tors. theta energy: -1.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -22.181653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.181653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.181653 (E_RNA) where: Base-Base interactions energy: -8.085 where: short stacking energy: -8.085 Base-Backbone interact. energy: -0.003 local terms energy: -14.093481 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -2.395 flat angles C4'-P-C4' energy: -2.735 flat angles P-C4'-P energy: -2.554 tors. eta vs tors. theta energy: -2.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -22.799834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.799834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.799834 (E_RNA) where: Base-Base interactions energy: -4.382 where: short stacking energy: -4.382 Base-Backbone interact. energy: -0.099 local terms energy: -18.318297 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.420 flat angles P-C4'-P energy: -4.042 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: 1, replica: 6 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -26.259108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.259108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.259108 (E_RNA) where: Base-Base interactions energy: -7.946 where: short stacking energy: -7.946 Base-Backbone interact. energy: -0.000 local terms energy: -18.313133 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -2.814 flat angles C4'-P-C4' energy: -4.046 flat angles P-C4'-P energy: -2.357 tors. eta vs tors. theta energy: -4.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -22.921834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.921834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.921834 (E_RNA) where: Base-Base interactions energy: -7.173 where: short stacking energy: -7.173 Base-Backbone interact. energy: -0.001 local terms energy: -15.747897 where: bonds (distance) C4'-P energy: -4.009 bonds (distance) P-C4' energy: -4.659 flat angles C4'-P-C4' energy: -3.257 flat angles P-C4'-P energy: -1.725 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: 3, replica: 1 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -27.064486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.064486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.064486 (E_RNA) where: Base-Base interactions energy: -6.964 where: short stacking energy: -6.964 Base-Backbone interact. energy: -0.000 local terms energy: -20.100800 where: bonds (distance) C4'-P energy: -4.125 bonds (distance) P-C4' energy: -3.811 flat angles C4'-P-C4' energy: -4.717 flat angles P-C4'-P energy: -2.760 tors. eta vs tors. theta energy: -4.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -25.796136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.796136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.796136 (E_RNA) where: Base-Base interactions energy: -10.590 where: short stacking energy: -10.590 Base-Backbone interact. energy: -0.017 local terms energy: -15.188805 where: bonds (distance) C4'-P energy: -2.216 bonds (distance) P-C4' energy: -2.898 flat angles C4'-P-C4' energy: -4.349 flat angles P-C4'-P energy: -2.931 tors. eta vs tors. theta energy: -2.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -24.381568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.381568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.381568 (E_RNA) where: Base-Base interactions energy: -7.574 where: short stacking energy: -7.574 Base-Backbone interact. energy: -0.080 local terms energy: -16.727876 where: bonds (distance) C4'-P energy: -3.789 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.467 flat angles P-C4'-P energy: -3.708 tors. eta vs tors. theta energy: -0.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -30.600879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.600879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.600879 (E_RNA) where: Base-Base interactions energy: -10.040 where: short stacking energy: -10.040 Base-Backbone interact. energy: -0.000 local terms energy: -20.561003 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.430 flat angles P-C4'-P energy: -3.850 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: 7, replica: 8 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -21.169517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.169517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.169517 (E_RNA) where: Base-Base interactions energy: -3.875 where: short stacking energy: -3.875 Base-Backbone interact. energy: -0.014 local terms energy: -17.280485 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.252 flat angles P-C4'-P energy: -3.319 tors. eta vs tors. theta energy: -0.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -22.815211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.815211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.815211 (E_RNA) where: Base-Base interactions energy: -6.908 where: short stacking energy: -6.908 Base-Backbone interact. energy: -0.000 local terms energy: -15.907495 where: bonds (distance) C4'-P energy: -3.277 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -3.549 flat angles P-C4'-P energy: -2.377 tors. eta vs tors. theta energy: -2.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -20.402232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.402232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.402232 (E_RNA) where: Base-Base interactions energy: -6.935 where: short stacking energy: -6.935 Base-Backbone interact. energy: -0.003 local terms energy: -13.464345 where: bonds (distance) C4'-P energy: -3.487 bonds (distance) P-C4' energy: -3.941 flat angles C4'-P-C4' energy: -3.944 flat angles P-C4'-P energy: -1.166 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: 10, replica: 2 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -22.282069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.282069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.282069 (E_RNA) where: Base-Base interactions energy: -6.721 where: short stacking energy: -6.721 Base-Backbone interact. energy: -0.000 local terms energy: -15.560741 where: bonds (distance) C4'-P energy: -1.923 bonds (distance) P-C4' energy: -3.984 flat angles C4'-P-C4' energy: -4.471 flat angles P-C4'-P energy: -2.346 tors. eta vs tors. theta energy: -2.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -29.022123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.022123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.022123 (E_RNA) where: Base-Base interactions energy: -11.597 where: short stacking energy: -11.597 Base-Backbone interact. energy: -0.000 local terms energy: -17.424677 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.622 flat angles P-C4'-P energy: -2.751 tors. eta vs tors. theta energy: -2.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -28.846136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.846136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.846136 (E_RNA) where: Base-Base interactions energy: -11.483 where: short stacking energy: -11.483 Base-Backbone interact. energy: -0.523 local terms energy: -16.839940 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -3.349 flat angles C4'-P-C4' energy: -4.534 flat angles P-C4'-P energy: -3.202 tors. eta vs tors. theta energy: -1.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -25.643301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.643301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.643301 (E_RNA) where: Base-Base interactions energy: -8.003 where: short stacking energy: -8.003 Base-Backbone interact. energy: -0.000 local terms energy: -17.640559 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.128 flat angles C4'-P-C4' energy: -4.509 flat angles P-C4'-P energy: -1.553 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: 4, replica: 1 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -25.964781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.964781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.964781 (E_RNA) where: Base-Base interactions energy: -7.066 where: short stacking energy: -7.066 Base-Backbone interact. energy: -0.000 local terms energy: -18.898370 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.734 flat angles P-C4'-P energy: -1.264 tors. eta vs tors. theta energy: -4.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -26.403505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.403505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.403505 (E_RNA) where: Base-Base interactions energy: -8.951 where: short stacking energy: -8.951 Base-Backbone interact. energy: -0.000 local terms energy: -17.452443 where: bonds (distance) C4'-P energy: -2.672 bonds (distance) P-C4' energy: -3.969 flat angles C4'-P-C4' energy: -4.163 flat angles P-C4'-P energy: -3.119 tors. eta vs tors. theta energy: -3.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -23.169937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.169937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.169937 (E_RNA) where: Base-Base interactions energy: -5.233 where: short stacking energy: -5.233 Base-Backbone interact. energy: -0.003 local terms energy: -17.934482 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -3.500 flat angles P-C4'-P energy: -3.608 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: 7, replica: 5 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -21.348047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.348047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.348047 (E_RNA) where: Base-Base interactions energy: -5.446 where: short stacking energy: -4.285 Base-Backbone interact. energy: -0.036 local terms energy: -15.865643 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -2.707 flat angles P-C4'-P energy: -1.960 tors. eta vs tors. theta energy: -2.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -22.212330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.212330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.212330 (E_RNA) where: Base-Base interactions energy: -4.357 where: short stacking energy: -4.357 Base-Backbone interact. energy: -0.000 local terms energy: -17.854837 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.386 flat angles P-C4'-P energy: -2.973 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: 9, replica: 2 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -19.202699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.202699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.202699 (E_RNA) where: Base-Base interactions energy: -3.369 where: short stacking energy: -3.369 Base-Backbone interact. energy: -0.005 local terms energy: -15.828063 where: bonds (distance) C4'-P energy: -3.335 bonds (distance) P-C4' energy: -4.318 flat angles C4'-P-C4' energy: -2.928 flat angles P-C4'-P energy: -2.003 tors. eta vs tors. theta energy: -3.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -20.691598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.691598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.691598 (E_RNA) where: Base-Base interactions energy: -4.363 where: short stacking energy: -4.363 Base-Backbone interact. energy: -0.000 local terms energy: -16.328496 where: bonds (distance) C4'-P energy: -3.479 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.271 flat angles P-C4'-P energy: -2.584 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: 9 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -30.852877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.852877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.852877 (E_RNA) where: Base-Base interactions energy: -11.413 where: short stacking energy: -11.413 Base-Backbone interact. energy: -0.668 local terms energy: -18.772135 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -3.989 flat angles P-C4'-P energy: -3.093 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: 6 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -24.593171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.593171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.593171 (E_RNA) where: Base-Base interactions energy: -6.719 where: short stacking energy: -6.719 Base-Backbone interact. energy: -0.053 local terms energy: -17.821199 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -4.271 flat angles P-C4'-P energy: -2.662 tors. eta vs tors. theta energy: -1.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -31.386688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.386688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.386688 (E_RNA) where: Base-Base interactions energy: -11.269 where: short stacking energy: -11.269 Base-Backbone interact. energy: -0.001 local terms energy: -20.116353 where: bonds (distance) C4'-P energy: -4.750 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.154 flat angles P-C4'-P energy: -2.873 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: 4, replica: 7 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -27.741439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.741439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.741439 (E_RNA) where: Base-Base interactions energy: -10.258 where: short stacking energy: -10.258 Base-Backbone interact. energy: -0.004 local terms energy: -17.479163 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.401 flat angles P-C4'-P energy: -2.901 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: 5, replica: 1 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -28.711644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.711644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.711644 (E_RNA) where: Base-Base interactions energy: -8.734 where: short stacking energy: -8.734 Base-Backbone interact. energy: -0.000 local terms energy: -19.977831 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.784 flat angles P-C4'-P energy: -3.340 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: 6, replica: 5 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -25.499996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.499996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.499996 (E_RNA) where: Base-Base interactions energy: -11.678 where: short stacking energy: -11.678 Base-Backbone interact. energy: -0.000 local terms energy: -13.821498 where: bonds (distance) C4'-P energy: -2.093 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -2.473 flat angles P-C4'-P energy: -2.722 tors. eta vs tors. theta energy: -1.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -23.405039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.405039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.405039 (E_RNA) where: Base-Base interactions energy: -9.419 where: short stacking energy: -9.419 Base-Backbone interact. energy: -0.005 local terms energy: -13.980237 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -3.118 flat angles P-C4'-P energy: -2.903 tors. eta vs tors. theta energy: 0.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -20.602799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.602799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.602799 (E_RNA) where: Base-Base interactions energy: -8.611 where: short stacking energy: -8.611 Base-Backbone interact. energy: -0.040 local terms energy: -11.951622 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -4.184 flat angles C4'-P-C4' energy: -1.788 flat angles P-C4'-P energy: -3.002 tors. eta vs tors. theta energy: 0.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -19.717509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.717509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.717509 (E_RNA) where: Base-Base interactions energy: -3.942 where: short stacking energy: -3.942 Base-Backbone interact. energy: -0.000 local terms energy: -15.775094 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -4.305 flat angles P-C4'-P energy: -1.971 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: 10, replica: 4 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -23.326024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.326024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.326024 (E_RNA) where: Base-Base interactions energy: -7.160 where: short stacking energy: -7.160 Base-Backbone interact. energy: 0.136 local terms energy: -16.302192 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -1.699 flat angles C4'-P-C4' energy: -4.525 flat angles P-C4'-P energy: -2.992 tors. eta vs tors. theta energy: -3.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -29.810662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.810662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.810662 (E_RNA) where: Base-Base interactions energy: -12.444 where: short stacking energy: -12.444 Base-Backbone interact. energy: -0.002 local terms energy: -17.364756 where: bonds (distance) C4'-P energy: -3.889 bonds (distance) P-C4' energy: -4.441 flat angles C4'-P-C4' energy: -4.786 flat angles P-C4'-P energy: -3.285 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: 2, replica: 6 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -27.259625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.259625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.259625 (E_RNA) where: Base-Base interactions energy: -11.296 where: short stacking energy: -11.296 Base-Backbone interact. energy: -0.000 local terms energy: -15.963543 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -3.793 flat angles C4'-P-C4' energy: -4.329 flat angles P-C4'-P energy: -0.864 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: 3, replica: 7 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -26.009615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.009615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.009615 (E_RNA) where: Base-Base interactions energy: -11.084 where: short stacking energy: -11.084 Base-Backbone interact. energy: -0.001 local terms energy: -14.925012 where: bonds (distance) C4'-P energy: -3.194 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -3.726 flat angles P-C4'-P energy: -1.150 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: 4, replica: 10 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -26.473483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.473483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.473483 (E_RNA) where: Base-Base interactions energy: -9.448 where: short stacking energy: -9.448 Base-Backbone interact. energy: -0.031 local terms energy: -16.994691 where: bonds (distance) C4'-P energy: -3.044 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.203 flat angles P-C4'-P energy: -1.892 tors. eta vs tors. theta energy: -2.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -25.090681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.090681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.090681 (E_RNA) where: Base-Base interactions energy: -6.780 where: short stacking energy: -6.780 Base-Backbone interact. energy: -0.000 local terms energy: -18.311010 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.378 flat angles P-C4'-P energy: -2.963 tors. eta vs tors. theta energy: -2.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -21.734209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.734209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.734209 (E_RNA) where: Base-Base interactions energy: -6.206 where: short stacking energy: -6.206 Base-Backbone interact. energy: -0.000 local terms energy: -15.528311 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -3.656 flat angles P-C4'-P energy: -2.853 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: 2 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -19.911618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.911618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.911618 (E_RNA) where: Base-Base interactions energy: -2.445 where: short stacking energy: -2.445 Base-Backbone interact. energy: -0.009 local terms energy: -17.457422 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.378 flat angles P-C4'-P energy: -2.063 tors. eta vs tors. theta energy: -1.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -23.662448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.662448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.662448 (E_RNA) where: Base-Base interactions energy: -6.534 where: short stacking energy: -6.534 Base-Backbone interact. energy: -0.024 local terms energy: -17.105150 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.318 flat angles C4'-P-C4' energy: -4.314 flat angles P-C4'-P energy: -2.769 tors. eta vs tors. theta energy: -1.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -20.148469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.148469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.148469 (E_RNA) where: Base-Base interactions energy: -5.115 where: short stacking energy: -5.115 Base-Backbone interact. energy: -0.130 local terms energy: -14.903279 where: bonds (distance) C4'-P energy: -1.766 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.662 flat angles P-C4'-P energy: -1.645 tors. eta vs tors. theta energy: -1.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -22.508536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.508536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.508536 (E_RNA) where: Base-Base interactions energy: -7.440 where: short stacking energy: -7.440 Base-Backbone interact. energy: -0.056 local terms energy: -15.012804 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -2.486 flat angles C4'-P-C4' energy: -3.551 flat angles P-C4'-P energy: -3.880 tors. eta vs tors. theta energy: -1.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -25.385372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.385372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.385372 (E_RNA) where: Base-Base interactions energy: -8.907 where: short stacking energy: -8.907 Base-Backbone interact. energy: -0.000 local terms energy: -16.477878 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -3.692 flat angles P-C4'-P energy: -1.798 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: 2, replica: 7 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -23.881026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.881026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.881026 (E_RNA) where: Base-Base interactions energy: -10.293 where: short stacking energy: -10.293 Base-Backbone interact. energy: -0.038 local terms energy: -13.550523 where: bonds (distance) C4'-P energy: -0.937 bonds (distance) P-C4' energy: -4.311 flat angles C4'-P-C4' energy: -4.240 flat angles P-C4'-P energy: -2.396 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: 3, replica: 6 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -27.326375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.326375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.326375 (E_RNA) where: Base-Base interactions energy: -11.343 where: short stacking energy: -11.343 Base-Backbone interact. energy: -0.000 local terms energy: -15.983366 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -2.649 flat angles C4'-P-C4' energy: -3.391 flat angles P-C4'-P energy: -3.296 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: 4, replica: 5 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -27.700920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.700920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.700920 (E_RNA) where: Base-Base interactions energy: -10.385 where: short stacking energy: -10.385 Base-Backbone interact. energy: -0.000 local terms energy: -17.315476 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.311 flat angles P-C4'-P energy: -1.788 tors. eta vs tors. theta energy: -2.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -24.456249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.456249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.456249 (E_RNA) where: Base-Base interactions energy: -7.302 where: short stacking energy: -7.302 Base-Backbone interact. energy: -0.000 local terms energy: -17.154032 where: bonds (distance) C4'-P energy: -3.417 bonds (distance) P-C4' energy: -4.413 flat angles C4'-P-C4' energy: -3.709 flat angles P-C4'-P energy: -3.460 tors. eta vs tors. theta energy: -2.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -24.132703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.132703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.132703 (E_RNA) where: Base-Base interactions energy: -4.949 where: short stacking energy: -4.949 Base-Backbone interact. energy: -0.000 local terms energy: -19.183622 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.002 flat angles P-C4'-P energy: -3.044 tors. eta vs tors. theta energy: -3.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -24.880849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.880849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.880849 (E_RNA) where: Base-Base interactions energy: -6.647 where: short stacking energy: -6.647 Base-Backbone interact. energy: -0.470 local terms energy: -17.764209 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.034 flat angles P-C4'-P energy: -3.891 tors. eta vs tors. theta energy: -1.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -20.847604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.847604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.847604 (E_RNA) where: Base-Base interactions energy: -7.238 where: short stacking energy: -7.238 Base-Backbone interact. energy: -0.001 local terms energy: -13.608168 where: bonds (distance) C4'-P energy: -1.720 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.345 flat angles P-C4'-P energy: -3.728 tors. eta vs tors. theta energy: -0.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -22.773363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.773363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.773363 (E_RNA) where: Base-Base interactions energy: -8.104 where: short stacking energy: -8.104 Base-Backbone interact. energy: -0.000 local terms energy: -14.668830 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -2.063 flat angles C4'-P-C4' energy: -3.871 flat angles P-C4'-P energy: -3.369 tors. eta vs tors. theta energy: -1.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -25.675014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.675014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.675014 (E_RNA) where: Base-Base interactions energy: -6.267 where: short stacking energy: -6.267 Base-Backbone interact. energy: -0.000 local terms energy: -19.407697 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.115 flat angles P-C4'-P energy: -3.823 tors. eta vs tors. theta energy: -3.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -29.760520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.760520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.760520 (E_RNA) where: Base-Base interactions energy: -10.660 where: short stacking energy: -10.660 Base-Backbone interact. energy: -0.000 local terms energy: -19.099990 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -2.563 flat angles P-C4'-P energy: -3.682 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: 2, replica: 9 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -24.279064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.279064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.279064 (E_RNA) where: Base-Base interactions energy: -7.939 where: short stacking energy: -7.939 Base-Backbone interact. energy: -0.000 local terms energy: -16.340012 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -2.834 flat angles P-C4'-P energy: -3.078 tors. eta vs tors. theta energy: -1.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -29.386749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.386749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.386749 (E_RNA) where: Base-Base interactions energy: -12.280 where: short stacking energy: -12.280 Base-Backbone interact. energy: -0.002 local terms energy: -17.104186 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -2.324 flat angles C4'-P-C4' energy: -4.411 flat angles P-C4'-P energy: -3.303 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: 4, replica: 6 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -24.847682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.847682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.847682 (E_RNA) where: Base-Base interactions energy: -7.191 where: short stacking energy: -7.191 Base-Backbone interact. energy: -0.005 local terms energy: -17.651252 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.353 flat angles P-C4'-P energy: -3.785 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: 5, replica: 2 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -26.532377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.532377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.532377 (E_RNA) where: Base-Base interactions energy: -8.746 where: short stacking energy: -8.746 Base-Backbone interact. energy: -0.000 local terms energy: -17.785790 where: bonds (distance) C4'-P energy: -3.567 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.417 flat angles P-C4'-P energy: -3.257 tors. eta vs tors. theta energy: -1.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -26.116807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.116807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.116807 (E_RNA) where: Base-Base interactions energy: -9.298 where: short stacking energy: -9.298 Base-Backbone interact. energy: -0.000 local terms energy: -16.818560 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -3.837 flat angles P-C4'-P energy: -1.377 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: 7, replica: 4 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -23.069936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.069936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.069936 (E_RNA) where: Base-Base interactions energy: -8.004 where: short stacking energy: -8.004 Base-Backbone interact. energy: -0.000 local terms energy: -15.065881 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -3.500 flat angles P-C4'-P energy: -1.150 tors. eta vs tors. theta energy: -1.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -20.038487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.038487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.038487 (E_RNA) where: Base-Base interactions energy: -3.981 where: short stacking energy: -3.981 Base-Backbone interact. energy: -0.000 local terms energy: -16.057665 where: bonds (distance) C4'-P energy: -3.301 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -2.164 flat angles P-C4'-P energy: -2.316 tors. eta vs tors. theta energy: -3.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -25.987803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.987803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.987803 (E_RNA) where: Base-Base interactions energy: -7.543 where: short stacking energy: -7.543 Base-Backbone interact. energy: -0.000 local terms energy: -18.445274 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.421 flat angles P-C4'-P energy: -1.660 tors. eta vs tors. theta energy: -3.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -21.583343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.583343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.583343 (E_RNA) where: Base-Base interactions energy: -5.906 where: short stacking energy: -5.906 Base-Backbone interact. energy: -0.040 local terms energy: -15.637825 where: bonds (distance) C4'-P energy: -2.751 bonds (distance) P-C4' energy: -3.790 flat angles C4'-P-C4' energy: -3.689 flat angles P-C4'-P energy: -2.927 tors. eta vs tors. theta energy: -2.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -28.195862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.195862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.195862 (E_RNA) where: Base-Base interactions energy: -10.909 where: short stacking energy: -10.909 Base-Backbone interact. energy: -0.000 local terms energy: -17.286889 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.176 flat angles P-C4'-P energy: -0.613 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: 5 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -25.544943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.544943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.544943 (E_RNA) where: Base-Base interactions energy: -7.708 where: short stacking energy: -7.708 Base-Backbone interact. energy: -0.001 local terms energy: -17.835581 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -2.006 flat angles P-C4'-P energy: -3.270 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: 3, replica: 9 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -25.603737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.603737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.603737 (E_RNA) where: Base-Base interactions energy: -7.474 where: short stacking energy: -7.474 Base-Backbone interact. energy: -0.009 local terms energy: -18.120810 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -4.702 flat angles P-C4'-P energy: -3.665 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: 4, replica: 2 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -27.016448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.016448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.016448 (E_RNA) where: Base-Base interactions energy: -8.852 where: short stacking energy: -8.852 Base-Backbone interact. energy: -0.000 local terms energy: -18.164829 where: bonds (distance) C4'-P energy: -3.148 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.607 flat angles P-C4'-P energy: -3.787 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: 5, replica: 6 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -21.905407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.905407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.905407 (E_RNA) where: Base-Base interactions energy: -4.355 where: short stacking energy: -4.355 Base-Backbone interact. energy: -0.001 local terms energy: -17.549130 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -4.180 flat angles C4'-P-C4' energy: -4.117 flat angles P-C4'-P energy: -2.251 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: 10 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -23.715628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.715628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.715628 (E_RNA) where: Base-Base interactions energy: -8.427 where: short stacking energy: -8.427 Base-Backbone interact. energy: -0.000 local terms energy: -15.288588 where: bonds (distance) C4'-P energy: -2.075 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -4.676 flat angles P-C4'-P energy: -2.538 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: 7, replica: 4 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -23.559060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.559060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.559060 (E_RNA) where: Base-Base interactions energy: -7.455 where: short stacking energy: -7.455 Base-Backbone interact. energy: -0.077 local terms energy: -16.027884 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -3.726 flat angles C4'-P-C4' energy: -2.791 flat angles P-C4'-P energy: -2.685 tors. eta vs tors. theta energy: -2.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -21.404721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.404721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.404721 (E_RNA) where: Base-Base interactions energy: -7.000 where: short stacking energy: -7.000 Base-Backbone interact. energy: -0.005 local terms energy: -14.400072 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -3.984 flat angles C4'-P-C4' energy: -2.785 flat angles P-C4'-P energy: -2.391 tors. eta vs tors. theta energy: -0.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -20.574666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.574666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.574666 (E_RNA) where: Base-Base interactions energy: -3.623 where: short stacking energy: -3.623 Base-Backbone interact. energy: -0.000 local terms energy: -16.951731 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.990 flat angles P-C4'-P energy: -2.706 tors. eta vs tors. theta energy: -0.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -27.478082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.478082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.478082 (E_RNA) where: Base-Base interactions energy: -9.776 where: short stacking energy: -9.776 Base-Backbone interact. energy: -0.012 local terms energy: -17.690545 where: bonds (distance) C4'-P energy: -3.344 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.131 flat angles P-C4'-P energy: -1.708 tors. eta vs tors. theta energy: -3.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -27.427267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.427267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.427267 (E_RNA) where: Base-Base interactions energy: -8.438 where: short stacking energy: -8.438 Base-Backbone interact. energy: -0.000 local terms energy: -18.988686 where: bonds (distance) C4'-P energy: -2.076 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -3.938 flat angles P-C4'-P energy: -3.928 tors. eta vs tors. theta energy: -4.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -25.975420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.975420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.975420 (E_RNA) where: Base-Base interactions energy: -8.442 where: short stacking energy: -8.442 Base-Backbone interact. energy: -0.000 local terms energy: -17.533623 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.445 flat angles P-C4'-P energy: -2.051 tors. eta vs tors. theta energy: -2.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -25.826963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.826963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.826963 (E_RNA) where: Base-Base interactions energy: -9.093 where: short stacking energy: -9.093 Base-Backbone interact. energy: -0.042 local terms energy: -16.691963 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.819 flat angles P-C4'-P energy: -3.440 tors. eta vs tors. theta energy: -0.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -25.539299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.539299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.539299 (E_RNA) where: Base-Base interactions energy: -6.982 where: short stacking energy: -6.982 Base-Backbone interact. energy: -0.000 local terms energy: -18.557087 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -2.876 flat angles P-C4'-P energy: -3.976 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: 5, replica: 10 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -24.498161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.498161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.498161 (E_RNA) where: Base-Base interactions energy: -9.802 where: short stacking energy: -9.802 Base-Backbone interact. energy: -0.000 local terms energy: -14.696295 where: bonds (distance) C4'-P energy: -1.969 bonds (distance) P-C4' energy: -2.634 flat angles C4'-P-C4' energy: -4.025 flat angles P-C4'-P energy: -2.753 tors. eta vs tors. theta energy: -3.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -21.152182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.152182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.152182 (E_RNA) where: Base-Base interactions energy: -6.448 where: short stacking energy: -6.448 Base-Backbone interact. energy: -0.220 local terms energy: -14.484669 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.095 flat angles P-C4'-P energy: -1.547 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: 8 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -28.031576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.031576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.031576 (E_RNA) where: Base-Base interactions energy: -6.569 where: short stacking energy: -6.569 Base-Backbone interact. energy: -0.000 local terms energy: -21.462146 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.341 flat angles P-C4'-P energy: -3.169 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: 8, replica: 4 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -23.503538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.503538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.503538 (E_RNA) where: Base-Base interactions energy: -7.084 where: short stacking energy: -7.084 Base-Backbone interact. energy: 0.013 local terms energy: -16.432616 where: bonds (distance) C4'-P energy: -3.070 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.491 flat angles P-C4'-P energy: -1.549 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: 9, replica: 3 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -22.216751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.216751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.216751 (E_RNA) where: Base-Base interactions energy: -6.663 where: short stacking energy: -6.663 Base-Backbone interact. energy: -0.101 local terms energy: -15.453201 where: bonds (distance) C4'-P energy: -2.672 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.974 flat angles P-C4'-P energy: -3.938 tors. eta vs tors. theta energy: 0.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -23.220718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.220718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.220718 (E_RNA) where: Base-Base interactions energy: -5.739 where: short stacking energy: -5.739 Base-Backbone interact. energy: -0.000 local terms energy: -17.481628 where: bonds (distance) C4'-P energy: -3.939 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -3.782 flat angles P-C4'-P energy: -3.835 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: 1, replica: 5 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -30.186811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.186811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.186811 (E_RNA) where: Base-Base interactions energy: -11.047 where: short stacking energy: -11.047 Base-Backbone interact. energy: -0.000 local terms energy: -19.139641 where: bonds (distance) C4'-P energy: -3.314 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.233 flat angles P-C4'-P energy: -2.459 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: 2, replica: 2 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -30.000581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.000581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.000581 (E_RNA) where: Base-Base interactions energy: -9.563 where: short stacking energy: -9.563 Base-Backbone interact. energy: -0.002 local terms energy: -20.436390 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.941 flat angles P-C4'-P energy: -3.871 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: 3, replica: 7 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -24.919196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.919196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.919196 (E_RNA) where: Base-Base interactions energy: -7.868 where: short stacking energy: -7.868 Base-Backbone interact. energy: -0.001 local terms energy: -17.049952 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -3.550 flat angles P-C4'-P energy: -3.200 tors. eta vs tors. theta energy: -1.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -24.505586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.505586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.505586 (E_RNA) where: Base-Base interactions energy: -7.341 where: short stacking energy: -7.341 Base-Backbone interact. energy: -0.000 local terms energy: -17.164245 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -3.874 flat angles P-C4'-P energy: -3.862 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: 5, replica: 9 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -22.776501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.776501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.776501 (E_RNA) where: Base-Base interactions energy: -8.332 where: short stacking energy: -8.332 Base-Backbone interact. energy: -0.113 local terms energy: -14.331561 where: bonds (distance) C4'-P energy: -1.852 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.897 flat angles P-C4'-P energy: -3.369 tors. eta vs tors. theta energy: -1.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -24.150810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.150810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.150810 (E_RNA) where: Base-Base interactions energy: -8.161 where: short stacking energy: -8.161 Base-Backbone interact. energy: -0.000 local terms energy: -15.990258 where: bonds (distance) C4'-P energy: -3.380 bonds (distance) P-C4' energy: -4.367 flat angles C4'-P-C4' energy: -2.445 flat angles P-C4'-P energy: -2.657 tors. eta vs tors. theta energy: -3.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -23.308500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.308500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.308500 (E_RNA) where: Base-Base interactions energy: -8.047 where: short stacking energy: -8.047 Base-Backbone interact. energy: -0.000 local terms energy: -15.261504 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.968 flat angles P-C4'-P energy: -2.208 tors. eta vs tors. theta energy: -0.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -21.345553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.345553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.345553 (E_RNA) where: Base-Base interactions energy: -3.931 where: short stacking energy: -4.180 Base-Backbone interact. energy: -0.000 local terms energy: -17.414952 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -3.068 flat angles C4'-P-C4' energy: -4.799 flat angles P-C4'-P energy: -3.647 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: 4 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -23.912166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.912166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.912166 (E_RNA) where: Base-Base interactions energy: -7.547 where: short stacking energy: -7.547 Base-Backbone interact. energy: -0.000 local terms energy: -16.365611 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -2.004 flat angles P-C4'-P energy: -1.894 tors. eta vs tors. theta energy: -3.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -20.482526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.482526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.482526 (E_RNA) where: Base-Base interactions energy: -3.940 where: short stacking energy: -3.940 Base-Backbone interact. energy: -0.000 local terms energy: -16.542917 where: bonds (distance) C4'-P energy: -2.954 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.528 flat angles P-C4'-P energy: -2.942 tors. eta vs tors. theta energy: -2.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -28.536416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.536416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.536416 (E_RNA) where: Base-Base interactions energy: -11.568 where: short stacking energy: -11.568 Base-Backbone interact. energy: -0.000 local terms energy: -16.968702 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -3.815 flat angles C4'-P-C4' energy: -4.119 flat angles P-C4'-P energy: -2.610 tors. eta vs tors. theta energy: -2.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -23.818011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.818011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.818011 (E_RNA) where: Base-Base interactions energy: -7.423 where: short stacking energy: -7.423 Base-Backbone interact. energy: -0.004 local terms energy: -16.390772 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.721 flat angles P-C4'-P energy: -1.849 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: 10 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -23.355162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.355162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.355162 (E_RNA) where: Base-Base interactions energy: -11.243 where: short stacking energy: -11.243 Base-Backbone interact. energy: -0.002 local terms energy: -12.110857 where: bonds (distance) C4'-P energy: -1.588 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.656 flat angles P-C4'-P energy: 0.106 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: 4, replica: 7 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -21.783553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.783553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.783553 (E_RNA) where: Base-Base interactions energy: -6.981 where: short stacking energy: -6.981 Base-Backbone interact. energy: -0.036 local terms energy: -14.766334 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -4.167 flat angles P-C4'-P energy: -2.096 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: 5, replica: 6 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -23.536859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.536859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.536859 (E_RNA) where: Base-Base interactions energy: -7.700 where: short stacking energy: -7.700 Base-Backbone interact. energy: -0.025 local terms energy: -15.812021 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -2.373 flat angles P-C4'-P energy: -3.333 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: 9 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -25.221535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.221535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.221535 (E_RNA) where: Base-Base interactions energy: -8.397 where: short stacking energy: -8.397 Base-Backbone interact. energy: -0.002 local terms energy: -16.823232 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.437 flat angles P-C4'-P energy: -2.894 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: 7, replica: 3 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -23.680915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.680915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.680915 (E_RNA) where: Base-Base interactions energy: -10.261 where: short stacking energy: -10.261 Base-Backbone interact. energy: -0.000 local terms energy: -13.420029 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -3.726 flat angles C4'-P-C4' energy: -2.153 flat angles P-C4'-P energy: -2.396 tors. eta vs tors. theta energy: -0.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -20.416765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.416765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.416765 (E_RNA) where: Base-Base interactions energy: -3.377 where: short stacking energy: -3.377 Base-Backbone interact. energy: -0.000 local terms energy: -17.040225 where: bonds (distance) C4'-P energy: -3.389 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -3.895 flat angles P-C4'-P energy: -2.839 tors. eta vs tors. theta energy: -2.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -20.514987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.514987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.514987 (E_RNA) where: Base-Base interactions energy: -6.865 where: short stacking energy: -6.865 Base-Backbone interact. energy: -0.001 local terms energy: -13.649190 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.833 flat angles P-C4'-P energy: -0.216 tors. eta vs tors. theta energy: -0.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -25.156680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.156680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.156680 (E_RNA) where: Base-Base interactions energy: -4.909 where: short stacking energy: -4.909 Base-Backbone interact. energy: -0.000 local terms energy: -20.247517 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.104 flat angles P-C4'-P energy: -3.921 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: 1, replica: 2 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -26.750756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.750756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.750756 (E_RNA) where: Base-Base interactions energy: -7.396 where: short stacking energy: -7.396 Base-Backbone interact. energy: -0.053 local terms energy: -19.301116 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.574 flat angles P-C4'-P energy: -3.145 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: 2, replica: 10 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -27.736584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.736584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.736584 (E_RNA) where: Base-Base interactions energy: -8.927 where: short stacking energy: -8.927 Base-Backbone interact. energy: -0.000 local terms energy: -18.809529 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.499 flat angles P-C4'-P energy: -2.979 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: 5 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -24.411105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.411105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.411105 (E_RNA) where: Base-Base interactions energy: -6.723 where: short stacking energy: -6.723 Base-Backbone interact. energy: -0.000 local terms energy: -17.688039 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -4.117 flat angles P-C4'-P energy: -2.666 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: 4, replica: 6 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -27.083049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.083049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.083049 (E_RNA) where: Base-Base interactions energy: -8.330 where: short stacking energy: -8.330 Base-Backbone interact. energy: -0.000 local terms energy: -18.753440 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.992 flat angles P-C4'-P energy: -2.726 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: 5, replica: 7 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -28.587086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.587086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.587086 (E_RNA) where: Base-Base interactions energy: -12.452 where: short stacking energy: -12.452 Base-Backbone interact. energy: -0.044 local terms energy: -16.090588 where: bonds (distance) C4'-P energy: -2.279 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.162 flat angles P-C4'-P energy: -2.272 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: 6, replica: 9 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -26.669251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.669251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.669251 (E_RNA) where: Base-Base interactions energy: -8.383 where: short stacking energy: -8.383 Base-Backbone interact. energy: -0.000 local terms energy: -18.285912 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -1.890 flat angles P-C4'-P energy: -3.385 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: 7, replica: 3 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -23.329311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.329311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.329311 (E_RNA) where: Base-Base interactions energy: -7.278 where: short stacking energy: -7.278 Base-Backbone interact. energy: -0.004 local terms energy: -16.048236 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -3.582 flat angles C4'-P-C4' energy: -3.039 flat angles P-C4'-P energy: -3.723 tors. eta vs tors. theta energy: -1.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -22.692200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.692200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.692200 (E_RNA) where: Base-Base interactions energy: -6.762 where: short stacking energy: -6.762 Base-Backbone interact. energy: -0.000 local terms energy: -15.930072 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -2.151 flat angles P-C4'-P energy: -2.313 tors. eta vs tors. theta energy: -3.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -23.189546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.189546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.189546 (E_RNA) where: Base-Base interactions energy: -6.924 where: short stacking energy: -6.924 Base-Backbone interact. energy: -0.006 local terms energy: -16.259424 where: bonds (distance) C4'-P energy: -1.641 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -2.079 flat angles P-C4'-P energy: -3.644 tors. eta vs tors. theta energy: -3.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -20.867732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.867732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.867732 (E_RNA) where: Base-Base interactions energy: -5.261 where: short stacking energy: -5.261 Base-Backbone interact. energy: -0.000 local terms energy: -15.606890 where: bonds (distance) C4'-P energy: -3.040 bonds (distance) P-C4' energy: -4.336 flat angles C4'-P-C4' energy: -3.516 flat angles P-C4'-P energy: -1.819 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: 1, replica: 10 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -25.860650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.860650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.860650 (E_RNA) where: Base-Base interactions energy: -7.872 where: short stacking energy: -7.872 Base-Backbone interact. energy: -0.000 local terms energy: -17.988329 where: bonds (distance) C4'-P energy: -2.900 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.311 flat angles P-C4'-P energy: -2.929 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: 2 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -26.777067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.777067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.777067 (E_RNA) where: Base-Base interactions energy: -10.664 where: short stacking energy: -10.664 Base-Backbone interact. energy: -0.005 local terms energy: -16.108503 where: bonds (distance) C4'-P energy: -3.823 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.902 flat angles P-C4'-P energy: -1.919 tors. eta vs tors. theta energy: -1.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -26.618601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.618601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.618601 (E_RNA) where: Base-Base interactions energy: -6.355 where: short stacking energy: -6.355 Base-Backbone interact. energy: -0.000 local terms energy: -20.263519 where: bonds (distance) C4'-P energy: -3.861 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.438 flat angles P-C4'-P energy: -4.155 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: 4, replica: 5 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -23.051398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.051398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.051398 (E_RNA) where: Base-Base interactions energy: -6.971 where: short stacking energy: -6.971 Base-Backbone interact. energy: -0.169 local terms energy: -15.911054 where: bonds (distance) C4'-P energy: -3.823 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.449 flat angles P-C4'-P energy: -3.467 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: 5, replica: 9 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -25.990109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.990109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.990109 (E_RNA) where: Base-Base interactions energy: -8.604 where: short stacking energy: -8.604 Base-Backbone interact. energy: -0.000 local terms energy: -17.385786 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -2.486 flat angles C4'-P-C4' energy: -3.941 flat angles P-C4'-P energy: -2.356 tors. eta vs tors. theta energy: -4.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -21.703867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.703867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.703867 (E_RNA) where: Base-Base interactions energy: -4.959 where: short stacking energy: -4.959 Base-Backbone interact. energy: -0.000 local terms energy: -16.744724 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.584 flat angles P-C4'-P energy: -2.512 tors. eta vs tors. theta energy: -1.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -22.575905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.575905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.575905 (E_RNA) where: Base-Base interactions energy: -6.855 where: short stacking energy: -6.855 Base-Backbone interact. energy: -0.039 local terms energy: -15.682473 where: bonds (distance) C4'-P energy: -2.395 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.635 flat angles P-C4'-P energy: -3.710 tors. eta vs tors. theta energy: -0.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -21.353994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.353994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.353994 (E_RNA) where: Base-Base interactions energy: -5.978 where: short stacking energy: -4.258 Base-Backbone interact. energy: -0.002 local terms energy: -15.374734 where: bonds (distance) C4'-P energy: -3.194 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -4.613 flat angles P-C4'-P energy: -2.389 tors. eta vs tors. theta energy: -0.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -22.363967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.363967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.363967 (E_RNA) where: Base-Base interactions energy: -5.470 where: short stacking energy: -5.470 Base-Backbone interact. energy: -0.684 local terms energy: -16.209487 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.419 flat angles P-C4'-P energy: -0.289 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: 10, replica: 8 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -20.826130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.826130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.826130 (E_RNA) where: Base-Base interactions energy: -4.153 where: short stacking energy: -4.153 Base-Backbone interact. energy: -0.026 local terms energy: -16.646852 where: bonds (distance) C4'-P energy: -2.970 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.975 flat angles P-C4'-P energy: -2.783 tors. eta vs tors. theta energy: -1.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -26.882626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.882626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.882626 (E_RNA) where: Base-Base interactions energy: -7.816 where: short stacking energy: -7.492 Base-Backbone interact. energy: -0.005 local terms energy: -19.061178 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.080 flat angles P-C4'-P energy: -2.956 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: 2, replica: 6 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -23.921523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.921523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.921523 (E_RNA) where: Base-Base interactions energy: -5.007 where: short stacking energy: -5.007 Base-Backbone interact. energy: -0.016 local terms energy: -18.898614 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.324 flat angles P-C4'-P energy: -4.021 tors. eta vs tors. theta energy: -0.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -25.734623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.734623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.734623 (E_RNA) where: Base-Base interactions energy: -10.257 where: short stacking energy: -10.257 Base-Backbone interact. energy: -0.000 local terms energy: -15.477858 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.292 flat angles P-C4'-P energy: -0.249 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: 4, replica: 9 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -29.170364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.170364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.170364 (E_RNA) where: Base-Base interactions energy: -10.151 where: short stacking energy: -10.151 Base-Backbone interact. energy: -0.000 local terms energy: -19.019208 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -3.692 flat angles P-C4'-P energy: -3.666 tors. eta vs tors. theta energy: -3.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -24.898241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.898241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.898241 (E_RNA) where: Base-Base interactions energy: -9.913 where: short stacking energy: -9.913 Base-Backbone interact. energy: -0.000 local terms energy: -14.985555 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -3.271 flat angles P-C4'-P energy: -1.401 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: 6, replica: 4 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -22.678990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.678990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.678990 (E_RNA) where: Base-Base interactions energy: -6.953 where: short stacking energy: -6.953 Base-Backbone interact. energy: 0.000 local terms energy: -15.725584 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -3.885 flat angles C4'-P-C4' energy: -4.506 flat angles P-C4'-P energy: -2.320 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: 7, replica: 7 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -21.233889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.233889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.233889 (E_RNA) where: Base-Base interactions energy: -6.565 where: short stacking energy: -6.565 Base-Backbone interact. energy: -1.105 local terms energy: -13.563735 where: bonds (distance) C4'-P energy: -3.939 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.059 flat angles P-C4'-P energy: -1.469 tors. eta vs tors. theta energy: 0.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -24.414037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.414037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.414037 (E_RNA) where: Base-Base interactions energy: -7.961 where: short stacking energy: -7.961 Base-Backbone interact. energy: -0.004 local terms energy: -16.448577 where: bonds (distance) C4'-P energy: -3.479 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.286 flat angles P-C4'-P energy: -3.120 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: 3 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -18.147168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.147168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.147168 (E_RNA) where: Base-Base interactions energy: -3.719 where: short stacking energy: -3.719 Base-Backbone interact. energy: -0.091 local terms energy: -14.337572 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.752 flat angles P-C4'-P energy: -3.359 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: 10, replica: 8 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -18.729081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.729081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.729081 (E_RNA) where: Base-Base interactions energy: -3.946 where: short stacking energy: -4.230 Base-Backbone interact. energy: -0.059 local terms energy: -14.723729 where: bonds (distance) C4'-P energy: -3.889 bonds (distance) P-C4' energy: -3.981 flat angles C4'-P-C4' energy: -2.282 flat angles P-C4'-P energy: -3.410 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: 1, replica: 6 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -24.332677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.332677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.332677 (E_RNA) where: Base-Base interactions energy: -8.142 where: short stacking energy: -8.142 Base-Backbone interact. energy: -0.056 local terms energy: -16.134459 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.522 flat angles P-C4'-P energy: -2.821 tors. eta vs tors. theta energy: -0.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -24.073901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.073901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.073901 (E_RNA) where: Base-Base interactions energy: -6.793 where: short stacking energy: -6.793 Base-Backbone interact. energy: -0.000 local terms energy: -17.280600 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -3.115 flat angles P-C4'-P energy: -2.753 tors. eta vs tors. theta energy: -2.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -23.657961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.657961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.657961 (E_RNA) where: Base-Base interactions energy: -8.603 where: short stacking energy: -8.603 Base-Backbone interact. energy: -0.000 local terms energy: -15.055187 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.839 flat angles C4'-P-C4' energy: -3.217 flat angles P-C4'-P energy: -2.024 tors. eta vs tors. theta energy: -0.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -22.181946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.181946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.181946 (E_RNA) where: Base-Base interactions energy: -6.388 where: short stacking energy: -6.388 Base-Backbone interact. energy: -0.082 local terms energy: -15.711717 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -3.839 flat angles P-C4'-P energy: -3.349 tors. eta vs tors. theta energy: -0.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -22.764898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.764898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.764898 (E_RNA) where: Base-Base interactions energy: -7.620 where: short stacking energy: -7.620 Base-Backbone interact. energy: -0.000 local terms energy: -15.144653 where: bonds (distance) C4'-P energy: -1.956 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -1.933 flat angles P-C4'-P energy: -2.487 tors. eta vs tors. theta energy: -4.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -23.598896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.598896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.598896 (E_RNA) where: Base-Base interactions energy: -7.644 where: short stacking energy: -7.644 Base-Backbone interact. energy: -0.000 local terms energy: -15.954299 where: bonds (distance) C4'-P energy: -3.869 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.631 flat angles P-C4'-P energy: -2.706 tors. eta vs tors. theta energy: -0.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -22.604891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.604891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.604891 (E_RNA) where: Base-Base interactions energy: -8.236 where: short stacking energy: -8.236 Base-Backbone interact. energy: -0.076 local terms energy: -14.292196 where: bonds (distance) C4'-P energy: -3.344 bonds (distance) P-C4' energy: -4.044 flat angles C4'-P-C4' energy: -3.326 flat angles P-C4'-P energy: -2.717 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: 8, replica: 7 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -23.237802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.237802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.237802 (E_RNA) where: Base-Base interactions energy: -9.825 where: short stacking energy: -9.825 Base-Backbone interact. energy: -0.000 local terms energy: -13.412351 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -2.358 flat angles C4'-P-C4' energy: -3.843 flat angles P-C4'-P energy: -0.519 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: 9, replica: 8 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -22.958966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.958966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.958966 (E_RNA) where: Base-Base interactions energy: -6.571 where: short stacking energy: -6.571 Base-Backbone interact. energy: -0.009 local terms energy: -16.379472 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.572 flat angles C4'-P-C4' energy: -3.988 flat angles P-C4'-P energy: -0.934 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: 10, replica: 3 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -25.570468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.570468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.570468 (E_RNA) where: Base-Base interactions energy: -6.725 where: short stacking energy: -6.725 Base-Backbone interact. energy: -0.000 local terms energy: -18.845371 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.343 flat angles P-C4'-P energy: -2.675 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: 6 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -24.924704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.924704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.924704 (E_RNA) where: Base-Base interactions energy: -7.360 where: short stacking energy: -7.360 Base-Backbone interact. energy: -0.097 local terms energy: -17.468069 where: bonds (distance) C4'-P energy: -4.341 bonds (distance) P-C4' energy: -3.796 flat angles C4'-P-C4' energy: -3.840 flat angles P-C4'-P energy: -3.616 tors. eta vs tors. theta energy: -1.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -27.999869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.999869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.999869 (E_RNA) where: Base-Base interactions energy: -7.061 where: short stacking energy: -7.061 Base-Backbone interact. energy: -0.000 local terms energy: -20.938402 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.672 flat angles P-C4'-P energy: -3.605 tors. eta vs tors. theta energy: -4.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -26.776757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.776757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.776757 (E_RNA) where: Base-Base interactions energy: -7.956 where: short stacking energy: -7.956 Base-Backbone interact. energy: -0.000 local terms energy: -18.821034 where: bonds (distance) C4'-P energy: -3.177 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.824 flat angles P-C4'-P energy: -2.967 tors. eta vs tors. theta energy: -3.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -27.288077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.288077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.288077 (E_RNA) where: Base-Base interactions energy: -8.870 where: short stacking energy: -8.870 Base-Backbone interact. energy: -0.002 local terms energy: -18.416462 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.016 flat angles P-C4'-P energy: -2.082 tors. eta vs tors. theta energy: -3.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -23.799284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.799284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.799284 (E_RNA) where: Base-Base interactions energy: -10.600 where: short stacking energy: -10.600 Base-Backbone interact. energy: -0.000 local terms energy: -13.199416 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -4.411 flat angles P-C4'-P energy: 1.680 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: 6, replica: 1 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -24.421316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.421316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.421316 (E_RNA) where: Base-Base interactions energy: -6.817 where: short stacking energy: -6.817 Base-Backbone interact. energy: -0.000 local terms energy: -17.604207 where: bonds (distance) C4'-P energy: -2.904 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.866 flat angles P-C4'-P energy: -3.758 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: 7, replica: 5 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -21.128580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.128580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.128580 (E_RNA) where: Base-Base interactions energy: -4.520 where: short stacking energy: -4.520 Base-Backbone interact. energy: -0.007 local terms energy: -16.601026 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -3.796 flat angles C4'-P-C4' energy: -4.456 flat angles P-C4'-P energy: -2.790 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: 8, replica: 8 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -25.109280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.109280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.109280 (E_RNA) where: Base-Base interactions energy: -7.432 where: short stacking energy: -7.432 Base-Backbone interact. energy: -0.000 local terms energy: -17.677559 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.516 flat angles P-C4'-P energy: -2.171 tors. eta vs tors. theta energy: -2.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -25.726811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.726811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.726811 (E_RNA) where: Base-Base interactions energy: -10.526 where: short stacking energy: -10.526 Base-Backbone interact. energy: -0.000 local terms energy: -15.200438 where: bonds (distance) C4'-P energy: -2.510 bonds (distance) P-C4' energy: -3.128 flat angles C4'-P-C4' energy: -4.235 flat angles P-C4'-P energy: -1.915 tors. eta vs tors. theta energy: -3.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -19.276632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.276632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.276632 (E_RNA) where: Base-Base interactions energy: -3.803 where: short stacking energy: -4.217 Base-Backbone interact. energy: -0.069 local terms energy: -15.404013 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.022 flat angles P-C4'-P energy: -2.844 tors. eta vs tors. theta energy: 0.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -29.322347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.322347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.322347 (E_RNA) where: Base-Base interactions energy: -11.593 where: short stacking energy: -11.593 Base-Backbone interact. energy: -0.000 local terms energy: -17.729551 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.217 flat angles P-C4'-P energy: -3.208 tors. eta vs tors. theta energy: -2.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -28.714265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.714265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.714265 (E_RNA) where: Base-Base interactions energy: -12.374 where: short stacking energy: -12.374 Base-Backbone interact. energy: -0.001 local terms energy: -16.339100 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.560 flat angles P-C4'-P energy: -0.793 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: 3, replica: 4 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -25.171426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.171426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.171426 (E_RNA) where: Base-Base interactions energy: -7.657 where: short stacking energy: -7.657 Base-Backbone interact. energy: -0.000 local terms energy: -17.513929 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -4.575 flat angles C4'-P-C4' energy: -3.420 flat angles P-C4'-P energy: -2.988 tors. eta vs tors. theta energy: -2.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -26.924586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.924586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.924586 (E_RNA) where: Base-Base interactions energy: -9.104 where: short stacking energy: -9.104 Base-Backbone interact. energy: -0.003 local terms energy: -17.817532 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -2.315 flat angles P-C4'-P energy: -3.958 tors. eta vs tors. theta energy: -2.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -22.365985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.365985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.365985 (E_RNA) where: Base-Base interactions energy: -6.328 where: short stacking energy: -6.597 Base-Backbone interact. energy: -0.582 local terms energy: -15.455918 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.448 flat angles P-C4'-P energy: -3.225 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: 6, replica: 2 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -24.795112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.795112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.795112 (E_RNA) where: Base-Base interactions energy: -9.098 where: short stacking energy: -9.098 Base-Backbone interact. energy: -0.000 local terms energy: -15.696854 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -3.329 flat angles C4'-P-C4' energy: -2.997 flat angles P-C4'-P energy: -2.858 tors. eta vs tors. theta energy: -3.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -23.502776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.502776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.502776 (E_RNA) where: Base-Base interactions energy: -7.033 where: short stacking energy: -7.033 Base-Backbone interact. energy: -0.001 local terms energy: -16.468819 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -4.441 flat angles C4'-P-C4' energy: -2.477 flat angles P-C4'-P energy: -3.413 tors. eta vs tors. theta energy: -1.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -21.169296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.169296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.169296 (E_RNA) where: Base-Base interactions energy: -4.367 where: short stacking energy: -4.367 Base-Backbone interact. energy: -0.001 local terms energy: -16.801622 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.727 flat angles P-C4'-P energy: -2.659 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: 9, replica: 7 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -24.315194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.315194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.315194 (E_RNA) where: Base-Base interactions energy: -6.297 where: short stacking energy: -6.797 Base-Backbone interact. energy: -0.019 local terms energy: -17.999271 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -2.494 flat angles C4'-P-C4' energy: -4.256 flat angles P-C4'-P energy: -2.967 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: 10, replica: 3 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -19.002129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.002129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.002129 (E_RNA) where: Base-Base interactions energy: -4.472 where: short stacking energy: -4.472 Base-Backbone interact. energy: -0.000 local terms energy: -14.529742 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -3.131 flat angles C4'-P-C4' energy: -2.602 flat angles P-C4'-P energy: -3.306 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: 9 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -26.156237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.156237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.156237 (E_RNA) where: Base-Base interactions energy: -7.907 where: short stacking energy: -7.907 Base-Backbone interact. energy: -0.093 local terms energy: -18.156615 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -3.362 flat angles P-C4'-P energy: -3.338 tors. eta vs tors. theta energy: -2.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -25.847604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.847604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.847604 (E_RNA) where: Base-Base interactions energy: -7.299 where: short stacking energy: -7.299 Base-Backbone interact. energy: -0.115 local terms energy: -18.433957 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.151 flat angles P-C4'-P energy: -3.709 tors. eta vs tors. theta energy: -1.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -23.648579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.648579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.648579 (E_RNA) where: Base-Base interactions energy: -7.424 where: short stacking energy: -7.424 Base-Backbone interact. energy: -0.001 local terms energy: -16.223249 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.505 flat angles P-C4'-P energy: -3.370 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: 4, replica: 10 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -23.872938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.872938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.872938 (E_RNA) where: Base-Base interactions energy: -5.351 where: short stacking energy: -5.351 Base-Backbone interact. energy: -0.000 local terms energy: -18.521452 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -3.656 flat angles C4'-P-C4' energy: -3.885 flat angles P-C4'-P energy: -3.387 tors. eta vs tors. theta energy: -3.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -21.852947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.852947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.852947 (E_RNA) where: Base-Base interactions energy: -7.034 where: short stacking energy: -7.034 Base-Backbone interact. energy: -0.015 local terms energy: -14.803225 where: bonds (distance) C4'-P energy: -3.268 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.639 flat angles P-C4'-P energy: -3.067 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: 8 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -24.109327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.109327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.109327 (E_RNA) where: Base-Base interactions energy: -6.548 where: short stacking energy: -6.548 Base-Backbone interact. energy: -0.000 local terms energy: -17.560979 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -2.660 flat angles P-C4'-P energy: -1.709 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: 7, replica: 2 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -21.899317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.899317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.899317 (E_RNA) where: Base-Base interactions energy: -3.280 where: short stacking energy: -3.280 Base-Backbone interact. energy: -0.059 local terms energy: -18.560797 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.746 flat angles P-C4'-P energy: -3.573 tors. eta vs tors. theta energy: -1.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -20.447828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.447828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.447828 (E_RNA) where: Base-Base interactions energy: -6.882 where: short stacking energy: -6.882 Base-Backbone interact. energy: -0.094 local terms energy: -13.471570 where: bonds (distance) C4'-P energy: -1.898 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.365 flat angles P-C4'-P energy: -1.860 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: 9, replica: 5 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -24.585966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.585966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.585966 (E_RNA) where: Base-Base interactions energy: -7.307 where: short stacking energy: -7.307 Base-Backbone interact. energy: -0.001 local terms energy: -17.278590 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -3.613 flat angles P-C4'-P energy: -3.345 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: 10, replica: 3 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -20.627183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.627183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.627183 (E_RNA) where: Base-Base interactions energy: -6.845 where: short stacking energy: -6.845 Base-Backbone interact. energy: -0.000 local terms energy: -13.782607 where: bonds (distance) C4'-P energy: -2.681 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.555 flat angles P-C4'-P energy: -1.926 tors. eta vs tors. theta energy: 0.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -29.748131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.748131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.748131 (E_RNA) where: Base-Base interactions energy: -8.082 where: short stacking energy: -8.082 Base-Backbone interact. energy: -0.000 local terms energy: -21.666549 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.417 flat angles P-C4'-P energy: -3.541 tors. eta vs tors. theta energy: -4.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -30.544107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.544107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.544107 (E_RNA) where: Base-Base interactions energy: -9.821 where: short stacking energy: -9.821 Base-Backbone interact. energy: -0.000 local terms energy: -20.722996 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.214 flat angles P-C4'-P energy: -3.920 tors. eta vs tors. theta energy: -4.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -23.117650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.117650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.117650 (E_RNA) where: Base-Base interactions energy: -8.134 where: short stacking energy: -8.134 Base-Backbone interact. energy: -0.000 local terms energy: -14.984005 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -3.547 flat angles P-C4'-P energy: -1.834 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: 4, replica: 6 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -22.808454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.808454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.808454 (E_RNA) where: Base-Base interactions energy: -6.305 where: short stacking energy: -6.305 Base-Backbone interact. energy: -1.309 local terms energy: -15.193722 where: bonds (distance) C4'-P energy: -3.947 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.218 flat angles P-C4'-P energy: -3.818 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: 8 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -25.603250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.603250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.603250 (E_RNA) where: Base-Base interactions energy: -6.787 where: short stacking energy: -6.987 Base-Backbone interact. energy: -0.006 local terms energy: -18.810623 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.246 flat angles P-C4'-P energy: -3.650 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: 6, replica: 1 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -22.470496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.470496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.470496 (E_RNA) where: Base-Base interactions energy: -7.121 where: short stacking energy: -7.121 Base-Backbone interact. energy: -0.000 local terms energy: -15.349718 where: bonds (distance) C4'-P energy: -1.384 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.513 flat angles P-C4'-P energy: -2.008 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: 7, replica: 7 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -20.827294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.827294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.827294 (E_RNA) where: Base-Base interactions energy: -4.298 where: short stacking energy: -4.298 Base-Backbone interact. energy: 0.459 local terms energy: -16.988329 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -4.256 flat angles P-C4'-P energy: -2.724 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: 2 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -22.238505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.238505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.238505 (E_RNA) where: Base-Base interactions energy: -7.609 where: short stacking energy: -7.609 Base-Backbone interact. energy: -0.001 local terms energy: -14.628318 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -1.876 flat angles P-C4'-P energy: -2.138 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: 9, replica: 5 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -23.887226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.887226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.887226 (E_RNA) where: Base-Base interactions energy: -7.726 where: short stacking energy: -7.726 Base-Backbone interact. energy: -0.000 local terms energy: -16.161138 where: bonds (distance) C4'-P energy: -2.820 bonds (distance) P-C4' energy: -3.364 flat angles C4'-P-C4' energy: -4.341 flat angles P-C4'-P energy: -2.090 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: 10, replica: 3 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -18.982436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.982436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.982436 (E_RNA) where: Base-Base interactions energy: -4.303 where: short stacking energy: -4.303 Base-Backbone interact. energy: -0.000 local terms energy: -14.678892 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.698 flat angles P-C4'-P energy: -0.225 tors. eta vs tors. theta energy: -0.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -25.897916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.897916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.897916 (E_RNA) where: Base-Base interactions energy: -11.466 where: short stacking energy: -11.466 Base-Backbone interact. energy: -0.000 local terms energy: -14.431575 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.180 flat angles C4'-P-C4' energy: -0.820 flat angles P-C4'-P energy: -2.844 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: 2, replica: 9 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -28.174124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.174124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.174124 (E_RNA) where: Base-Base interactions energy: -10.287 where: short stacking energy: -10.287 Base-Backbone interact. energy: -0.002 local terms energy: -17.884774 where: bonds (distance) C4'-P energy: -3.939 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -2.046 flat angles P-C4'-P energy: -3.460 tors. eta vs tors. theta energy: -3.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -26.413856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.413856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.413856 (E_RNA) where: Base-Base interactions energy: -11.036 where: short stacking energy: -11.036 Base-Backbone interact. energy: -0.000 local terms energy: -15.377761 where: bonds (distance) C4'-P energy: -1.757 bonds (distance) P-C4' energy: -4.180 flat angles C4'-P-C4' energy: -4.129 flat angles P-C4'-P energy: -3.306 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: 4, replica: 8 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -23.882345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.882345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.882345 (E_RNA) where: Base-Base interactions energy: -6.730 where: short stacking energy: -6.730 Base-Backbone interact. energy: -0.000 local terms energy: -17.152450 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.248 flat angles P-C4'-P energy: -3.607 tors. eta vs tors. theta energy: -1.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -25.275826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.275826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.275826 (E_RNA) where: Base-Base interactions energy: -7.408 where: short stacking energy: -7.408 Base-Backbone interact. energy: -0.000 local terms energy: -17.867842 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -4.235 flat angles P-C4'-P energy: -2.642 tors. eta vs tors. theta energy: -2.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -31.818131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.818131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.818131 (E_RNA) where: Base-Base interactions energy: -12.046 where: short stacking energy: -12.046 Base-Backbone interact. energy: -0.000 local terms energy: -19.771995 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.169 flat angles P-C4'-P energy: -1.564 tors. eta vs tors. theta energy: -4.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -21.339527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.339527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.339527 (E_RNA) where: Base-Base interactions energy: -6.900 where: short stacking energy: -6.900 Base-Backbone interact. energy: -0.174 local terms energy: -14.265462 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -3.321 flat angles P-C4'-P energy: -3.062 tors. eta vs tors. theta energy: 0.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -23.266993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.266993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.266993 (E_RNA) where: Base-Base interactions energy: -5.277 where: short stacking energy: -5.277 Base-Backbone interact. energy: -0.000 local terms energy: -17.989883 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.801 flat angles P-C4'-P energy: -2.270 tors. eta vs tors. theta energy: -1.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -25.063040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.063040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.063040 (E_RNA) where: Base-Base interactions energy: -6.277 where: short stacking energy: -6.277 Base-Backbone interact. energy: -0.000 local terms energy: -18.785784 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.233 flat angles P-C4'-P energy: -3.186 tors. eta vs tors. theta energy: -2.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -20.364662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.364662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.364662 (E_RNA) where: Base-Base interactions energy: -5.073 where: short stacking energy: -5.073 Base-Backbone interact. energy: -0.308 local terms energy: -14.983474 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.215 flat angles P-C4'-P energy: -3.346 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: 1, replica: 9 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -26.193925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.193925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.193925 (E_RNA) where: Base-Base interactions energy: -8.111 where: short stacking energy: -8.111 Base-Backbone interact. energy: -0.000 local terms energy: -18.083356 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -4.059 flat angles P-C4'-P energy: -3.359 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: 2, replica: 4 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -32.193414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.193414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.193414 (E_RNA) where: Base-Base interactions energy: -10.712 where: short stacking energy: -10.712 Base-Backbone interact. energy: -0.000 local terms energy: -21.481498 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.561 flat angles P-C4'-P energy: -3.215 tors. eta vs tors. theta energy: -4.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -25.423254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.423254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.423254 (E_RNA) where: Base-Base interactions energy: -8.088 where: short stacking energy: -8.088 Base-Backbone interact. energy: -0.093 local terms energy: -17.242513 where: bonds (distance) C4'-P energy: -3.161 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -4.206 flat angles P-C4'-P energy: -3.056 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: 4, replica: 10 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -25.377524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.377524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.377524 (E_RNA) where: Base-Base interactions energy: -6.208 where: short stacking energy: -6.208 Base-Backbone interact. energy: -0.000 local terms energy: -19.169482 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -3.815 flat angles C4'-P-C4' energy: -4.111 flat angles P-C4'-P energy: -3.574 tors. eta vs tors. theta energy: -3.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -23.612128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.612128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.612128 (E_RNA) where: Base-Base interactions energy: -10.273 where: short stacking energy: -10.273 Base-Backbone interact. energy: -0.000 local terms energy: -13.338974 where: bonds (distance) C4'-P energy: -0.338 bonds (distance) P-C4' energy: -3.984 flat angles C4'-P-C4' energy: -3.551 flat angles P-C4'-P energy: -2.317 tors. eta vs tors. theta energy: -3.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -22.333267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.333267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.333267 (E_RNA) where: Base-Base interactions energy: -6.568 where: short stacking energy: -6.568 Base-Backbone interact. energy: -0.000 local terms energy: -15.764847 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.413 flat angles C4'-P-C4' energy: -3.187 flat angles P-C4'-P energy: -2.642 tors. eta vs tors. theta energy: -1.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -21.767585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.767585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.767585 (E_RNA) where: Base-Base interactions energy: -5.805 where: short stacking energy: -5.805 Base-Backbone interact. energy: -0.000 local terms energy: -15.962830 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.790 flat angles C4'-P-C4' energy: -2.574 flat angles P-C4'-P energy: -3.551 tors. eta vs tors. theta energy: -1.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -22.356000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.356000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.356000 (E_RNA) where: Base-Base interactions energy: -7.625 where: short stacking energy: -7.625 Base-Backbone interact. energy: -0.023 local terms energy: -14.708264 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -2.740 flat angles C4'-P-C4' energy: -4.129 flat angles P-C4'-P energy: -2.842 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: 9, replica: 3 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -22.268755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.268755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.268755 (E_RNA) where: Base-Base interactions energy: -4.179 where: short stacking energy: -4.179 Base-Backbone interact. energy: -0.024 local terms energy: -18.065891 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -2.891 flat angles P-C4'-P energy: -3.302 tors. eta vs tors. theta energy: -2.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -21.853502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.853502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.853502 (E_RNA) where: Base-Base interactions energy: -6.675 where: short stacking energy: -6.675 Base-Backbone interact. energy: -0.047 local terms energy: -15.131462 where: bonds (distance) C4'-P energy: -3.314 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.615 flat angles P-C4'-P energy: -2.863 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: 1, replica: 9 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -29.186251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.186251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.186251 (E_RNA) where: Base-Base interactions energy: -12.030 where: short stacking energy: -12.030 Base-Backbone interact. energy: -0.000 local terms energy: -17.155422 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -3.582 flat angles C4'-P-C4' energy: -3.567 flat angles P-C4'-P energy: -2.312 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: 2, replica: 8 ===================================== Write number: 321 Temperature: 0.950000 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: -6.239 where: short stacking energy: -6.239 Base-Backbone interact. energy: -0.000 local terms energy: -18.581802 where: bonds (distance) C4'-P energy: -4.742 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.835 flat angles P-C4'-P energy: -3.383 tors. eta vs tors. theta energy: -1.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -24.150022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.150022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.150022 (E_RNA) where: Base-Base interactions energy: -8.069 where: short stacking energy: -8.069 Base-Backbone interact. energy: -0.082 local terms energy: -15.999752 where: bonds (distance) C4'-P energy: -3.148 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.538 flat angles P-C4'-P energy: -2.824 tors. eta vs tors. theta energy: -1.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -24.878174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.878174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.878174 (E_RNA) where: Base-Base interactions energy: -7.969 where: short stacking energy: -7.969 Base-Backbone interact. energy: -0.003 local terms energy: -16.906330 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -3.457 flat angles P-C4'-P energy: -3.272 tors. eta vs tors. theta energy: -2.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -23.928271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.928271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.928271 (E_RNA) where: Base-Base interactions energy: -7.372 where: short stacking energy: -7.372 Base-Backbone interact. energy: -0.000 local terms energy: -16.555828 where: bonds (distance) C4'-P energy: -2.954 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.129 flat angles P-C4'-P energy: -2.704 tors. eta vs tors. theta energy: -1.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -27.495454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.495454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.495454 (E_RNA) where: Base-Base interactions energy: -9.096 where: short stacking energy: -9.096 Base-Backbone interact. energy: -0.000 local terms energy: -18.399421 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.283 flat angles P-C4'-P energy: -3.042 tors. eta vs tors. theta energy: -2.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -23.069673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.069673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.069673 (E_RNA) where: Base-Base interactions energy: -6.548 where: short stacking energy: -6.548 Base-Backbone interact. energy: -0.000 local terms energy: -16.521411 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.343 flat angles P-C4'-P energy: -1.039 tors. eta vs tors. theta energy: -2.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -21.898227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.898227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.898227 (E_RNA) where: Base-Base interactions energy: -5.425 where: short stacking energy: -5.425 Base-Backbone interact. energy: -0.010 local terms energy: -16.463676 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.491 flat angles P-C4'-P energy: -2.114 tors. eta vs tors. theta energy: -1.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -22.219742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.219742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.219742 (E_RNA) where: Base-Base interactions energy: -5.485 where: short stacking energy: -5.485 Base-Backbone interact. energy: -0.001 local terms energy: -16.733438 where: bonds (distance) C4'-P energy: -3.045 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.892 flat angles P-C4'-P energy: -3.899 tors. eta vs tors. theta energy: -0.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -17.964509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.964509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.964509 (E_RNA) where: Base-Base interactions energy: -1.815 where: short stacking energy: -1.815 Base-Backbone interact. energy: -0.039 local terms energy: -16.109905 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.152 flat angles P-C4'-P energy: -1.704 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: 1, replica: 8 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -30.668760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.668760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.668760 (E_RNA) where: Base-Base interactions energy: -10.706 where: short stacking energy: -10.706 Base-Backbone interact. energy: -0.000 local terms energy: -19.962987 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -3.655 flat angles P-C4'-P energy: -2.993 tors. eta vs tors. theta energy: -4.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -31.849808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.849808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.849808 (E_RNA) where: Base-Base interactions energy: -11.519 where: short stacking energy: -11.519 Base-Backbone interact. energy: -0.000 local terms energy: -20.330490 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.499 flat angles P-C4'-P energy: -2.887 tors. eta vs tors. theta energy: -4.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -28.538747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.538747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.538747 (E_RNA) where: Base-Base interactions energy: -8.069 where: short stacking energy: -8.069 Base-Backbone interact. energy: -0.000 local terms energy: -20.469743 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -4.713 flat angles P-C4'-P energy: -3.300 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: 4, replica: 4 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -25.103478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.103478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.103478 (E_RNA) where: Base-Base interactions energy: -8.262 where: short stacking energy: -8.262 Base-Backbone interact. energy: -0.000 local terms energy: -16.841511 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -2.290 flat angles P-C4'-P energy: -2.604 tors. eta vs tors. theta energy: -2.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -28.807201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.807201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.807201 (E_RNA) where: Base-Base interactions energy: -10.990 where: short stacking energy: -10.990 Base-Backbone interact. energy: -0.000 local terms energy: -17.817093 where: bonds (distance) C4'-P energy: -2.672 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -4.595 flat angles P-C4'-P energy: -3.601 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: 6, replica: 10 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -30.001490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.001490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.001490 (E_RNA) where: Base-Base interactions energy: -11.563 where: short stacking energy: -11.563 Base-Backbone interact. energy: -0.003 local terms energy: -18.435372 where: bonds (distance) C4'-P energy: -4.750 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.262 flat angles P-C4'-P energy: -2.413 tors. eta vs tors. theta energy: -2.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -24.400385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.400385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.400385 (E_RNA) where: Base-Base interactions energy: -7.787 where: short stacking energy: -7.787 Base-Backbone interact. energy: -0.000 local terms energy: -16.613450 where: bonds (distance) C4'-P energy: -2.748 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.049 flat angles P-C4'-P energy: -2.907 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: 6 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -20.168942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.168942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.168942 (E_RNA) where: Base-Base interactions energy: -4.955 where: short stacking energy: -4.955 Base-Backbone interact. energy: -0.001 local terms energy: -15.213410 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.078 flat angles C4'-P-C4' energy: -4.888 flat angles P-C4'-P energy: -3.816 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: 9, replica: 1 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -21.575339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.575339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.575339 (E_RNA) where: Base-Base interactions energy: -7.506 where: short stacking energy: -7.506 Base-Backbone interact. energy: -0.002 local terms energy: -14.067120 where: bonds (distance) C4'-P energy: -2.788 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.521 flat angles P-C4'-P energy: -0.320 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: 2 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -21.804832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.804832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.804832 (E_RNA) where: Base-Base interactions energy: -5.276 where: short stacking energy: -5.276 Base-Backbone interact. energy: -0.001 local terms energy: -16.528203 where: bonds (distance) C4'-P energy: -3.161 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.854 flat angles P-C4'-P energy: -2.851 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: 8 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -24.768653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.768653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.768653 (E_RNA) where: Base-Base interactions energy: -7.913 where: short stacking energy: -7.913 Base-Backbone interact. energy: -0.000 local terms energy: -16.855029 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.152 flat angles C4'-P-C4' energy: -3.729 flat angles P-C4'-P energy: -3.569 tors. eta vs tors. theta energy: -1.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -27.910514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.910514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.910514 (E_RNA) where: Base-Base interactions energy: -8.126 where: short stacking energy: -8.126 Base-Backbone interact. energy: -0.000 local terms energy: -19.784849 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -4.452 flat angles P-C4'-P energy: -2.977 tors. eta vs tors. theta energy: -3.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -26.888705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.888705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.888705 (E_RNA) where: Base-Base interactions energy: -9.583 where: short stacking energy: -9.583 Base-Backbone interact. energy: 0.031 local terms energy: -17.336245 where: bonds (distance) C4'-P energy: -3.889 bonds (distance) P-C4' energy: -3.103 flat angles C4'-P-C4' energy: -3.680 flat angles P-C4'-P energy: -3.854 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: 5 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -24.632170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.632170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.632170 (E_RNA) where: Base-Base interactions energy: -6.800 where: short stacking energy: -6.800 Base-Backbone interact. energy: -0.000 local terms energy: -17.832402 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -3.815 flat angles C4'-P-C4' energy: -3.111 flat angles P-C4'-P energy: -3.625 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: 4 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -21.493653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.493653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.493653 (E_RNA) where: Base-Base interactions energy: -7.634 where: short stacking energy: -7.634 Base-Backbone interact. energy: -0.001 local terms energy: -13.858618 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.644 flat angles P-C4'-P energy: -1.837 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: 6, replica: 3 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -21.137486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.137486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.137486 (E_RNA) where: Base-Base interactions energy: -3.763 where: short stacking energy: -3.763 Base-Backbone interact. energy: -0.000 local terms energy: -17.374851 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.335 flat angles P-C4'-P energy: -3.088 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: 7, replica: 10 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -23.728312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.728312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.728312 (E_RNA) where: Base-Base interactions energy: -6.233 where: short stacking energy: -6.233 Base-Backbone interact. energy: 1.171 local terms energy: -18.665889 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -3.390 flat angles P-C4'-P energy: -2.702 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: 8, replica: 1 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -21.899545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.899545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.899545 (E_RNA) where: Base-Base interactions energy: -6.713 where: short stacking energy: -6.713 Base-Backbone interact. energy: -0.001 local terms energy: -15.185657 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -2.386 flat angles P-C4'-P energy: -2.542 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: 9, replica: 6 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -21.006202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.006202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.006202 (E_RNA) where: Base-Base interactions energy: -7.244 where: short stacking energy: -7.244 Base-Backbone interact. energy: -0.001 local terms energy: -13.761568 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -3.345 flat angles C4'-P-C4' energy: -3.401 flat angles P-C4'-P energy: -2.111 tors. eta vs tors. theta energy: -1.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -22.901105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.901105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.901105 (E_RNA) where: Base-Base interactions energy: -6.497 where: short stacking energy: -6.497 Base-Backbone interact. energy: -0.000 local terms energy: -16.403709 where: bonds (distance) C4'-P energy: -4.125 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.144 flat angles P-C4'-P energy: -2.293 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: 1, replica: 7 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -29.481665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.481665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.481665 (E_RNA) where: Base-Base interactions energy: -11.120 where: short stacking energy: -11.120 Base-Backbone interact. energy: -0.000 local terms energy: -18.361400 where: bonds (distance) C4'-P energy: -3.861 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.308 flat angles P-C4'-P energy: -2.733 tors. eta vs tors. theta energy: -3.599 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: 8 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -25.400540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.400540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.400540 (E_RNA) where: Base-Base interactions energy: -8.628 where: short stacking energy: -8.628 Base-Backbone interact. energy: -0.000 local terms energy: -16.772875 where: bonds (distance) C4'-P energy: -2.556 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -2.419 flat angles P-C4'-P energy: -2.197 tors. eta vs tors. theta energy: -4.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -29.557175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.557175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.557175 (E_RNA) where: Base-Base interactions energy: -10.189 where: short stacking energy: -10.189 Base-Backbone interact. energy: -0.000 local terms energy: -19.368140 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -4.113 flat angles P-C4'-P energy: -3.787 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: 4, replica: 9 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -26.993634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.993634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.993634 (E_RNA) where: Base-Base interactions energy: -7.990 where: short stacking energy: -7.990 Base-Backbone interact. energy: -0.000 local terms energy: -19.003510 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.257 flat angles P-C4'-P energy: -3.419 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: 5, replica: 3 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -24.764289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.764289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.764289 (E_RNA) where: Base-Base interactions energy: -4.993 where: short stacking energy: -4.993 Base-Backbone interact. energy: -0.000 local terms energy: -19.770803 where: bonds (distance) C4'-P energy: -3.335 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.206 flat angles P-C4'-P energy: -3.136 tors. eta vs tors. theta energy: -4.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -22.884160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.884160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.884160 (E_RNA) where: Base-Base interactions energy: -6.071 where: short stacking energy: -6.071 Base-Backbone interact. energy: -0.129 local terms energy: -16.684881 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -4.295 flat angles P-C4'-P energy: -2.173 tors. eta vs tors. theta energy: -1.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -23.037779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.037779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.037779 (E_RNA) where: Base-Base interactions energy: -8.998 where: short stacking energy: -8.998 Base-Backbone interact. energy: -0.003 local terms energy: -14.036710 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -4.437 flat angles P-C4'-P energy: -3.036 tors. eta vs tors. theta energy: 2.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -25.632545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.632545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.632545 (E_RNA) where: Base-Base interactions energy: -10.290 where: short stacking energy: -10.290 Base-Backbone interact. energy: -0.000 local terms energy: -15.342105 where: bonds (distance) C4'-P energy: -3.008 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -2.765 flat angles P-C4'-P energy: 0.229 tors. eta vs tors. theta energy: -5.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -20.316750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.316750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.316750 (E_RNA) where: Base-Base interactions energy: -5.298 where: short stacking energy: -5.298 Base-Backbone interact. energy: -0.003 local terms energy: -15.016115 where: bonds (distance) C4'-P energy: -3.185 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -3.854 flat angles P-C4'-P energy: -2.610 tors. eta vs tors. theta energy: -0.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -20.030276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.030276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.030276 (E_RNA) where: Base-Base interactions energy: -5.230 where: short stacking energy: -5.230 Base-Backbone interact. energy: -0.001 local terms energy: -14.799583 where: bonds (distance) C4'-P energy: -3.169 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -3.158 flat angles P-C4'-P energy: -3.672 tors. eta vs tors. theta energy: -0.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -31.103612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.103612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.103612 (E_RNA) where: Base-Base interactions energy: -11.120 where: short stacking energy: -11.120 Base-Backbone interact. energy: -0.000 local terms energy: -19.983359 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -3.885 flat angles P-C4'-P energy: -3.770 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: 5 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -24.476608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.476608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.476608 (E_RNA) where: Base-Base interactions energy: -6.984 where: short stacking energy: -6.984 Base-Backbone interact. energy: -0.000 local terms energy: -17.492761 where: bonds (distance) C4'-P energy: -2.379 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.535 flat angles P-C4'-P energy: -3.352 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: 3, replica: 8 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -25.713482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.713482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.713482 (E_RNA) where: Base-Base interactions energy: -11.971 where: short stacking energy: -11.971 Base-Backbone interact. energy: -0.000 local terms energy: -13.742390 where: bonds (distance) C4'-P energy: -0.735 bonds (distance) P-C4' energy: -3.877 flat angles C4'-P-C4' energy: -4.130 flat angles P-C4'-P energy: -3.825 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: 4, replica: 3 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -26.317422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.317422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.317422 (E_RNA) where: Base-Base interactions energy: -10.139 where: short stacking energy: -10.139 Base-Backbone interact. energy: -0.004 local terms energy: -16.174274 where: bonds (distance) C4'-P energy: -2.797 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -3.519 flat angles P-C4'-P energy: -3.814 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: 5, replica: 9 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -24.648445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.648445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.648445 (E_RNA) where: Base-Base interactions energy: -7.887 where: short stacking energy: -7.887 Base-Backbone interact. energy: -0.000 local terms energy: -16.761419 where: bonds (distance) C4'-P energy: -3.301 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -3.339 flat angles P-C4'-P energy: -3.511 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: 6, replica: 1 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -22.048922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.048922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.048922 (E_RNA) where: Base-Base interactions energy: -7.520 where: short stacking energy: -7.520 Base-Backbone interact. energy: -0.000 local terms energy: -14.528593 where: bonds (distance) C4'-P energy: -2.681 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -4.839 flat angles P-C4'-P energy: -1.599 tors. eta vs tors. theta energy: -1.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -21.495285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.495285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.495285 (E_RNA) where: Base-Base interactions energy: -3.525 where: short stacking energy: -3.525 Base-Backbone interact. energy: -0.000 local terms energy: -17.969957 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -4.119 flat angles P-C4'-P energy: -3.969 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: 8, replica: 2 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -22.953226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.953226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.953226 (E_RNA) where: Base-Base interactions energy: -3.086 where: short stacking energy: -3.086 Base-Backbone interact. energy: -0.819 local terms energy: -19.048700 where: bonds (distance) C4'-P energy: -3.322 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.445 flat angles P-C4'-P energy: -2.758 tors. eta vs tors. theta energy: -3.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -22.107736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.107736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.107736 (E_RNA) where: Base-Base interactions energy: -6.119 where: short stacking energy: -6.119 Base-Backbone interact. energy: -0.004 local terms energy: -15.985537 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.487 flat angles P-C4'-P energy: -3.199 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: 10, replica: 6 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -19.687159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.687159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.687159 (E_RNA) where: Base-Base interactions energy: -2.402 where: short stacking energy: -2.402 Base-Backbone interact. energy: -0.055 local terms energy: -17.230530 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.200 flat angles P-C4'-P energy: -2.923 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: 1, replica: 5 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -30.813281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.813281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.813281 (E_RNA) where: Base-Base interactions energy: -13.138 where: short stacking energy: -13.138 Base-Backbone interact. energy: -0.000 local terms energy: -17.674652 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.820 flat angles P-C4'-P energy: -2.316 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: 7 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -28.027073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.027073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.027073 (E_RNA) where: Base-Base interactions energy: -9.636 where: short stacking energy: -9.636 Base-Backbone interact. energy: -0.000 local terms energy: -18.391073 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.519 flat angles P-C4'-P energy: -3.617 tors. eta vs tors. theta energy: -1.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -27.673813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.673813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.673813 (E_RNA) where: Base-Base interactions energy: -10.441 where: short stacking energy: -10.441 Base-Backbone interact. energy: -0.000 local terms energy: -17.232387 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.236 flat angles P-C4'-P energy: -1.640 tors. eta vs tors. theta energy: -2.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -28.370741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.370741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.370741 (E_RNA) where: Base-Base interactions energy: -10.665 where: short stacking energy: -10.665 Base-Backbone interact. energy: -0.208 local terms energy: -17.497282 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.666 flat angles P-C4'-P energy: -3.142 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: 5, replica: 1 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -24.263234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.263234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.263234 (E_RNA) where: Base-Base interactions energy: -7.749 where: short stacking energy: -7.749 Base-Backbone interact. energy: -0.000 local terms energy: -16.514511 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.676 flat angles P-C4'-P energy: -0.806 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: 9 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -29.742695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.742695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.742695 (E_RNA) where: Base-Base interactions energy: -10.704 where: short stacking energy: -10.704 Base-Backbone interact. energy: -0.000 local terms energy: -19.039066 where: bonds (distance) C4'-P energy: -3.078 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.870 flat angles P-C4'-P energy: -3.441 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: 7, replica: 2 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -26.192789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.192789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.192789 (E_RNA) where: Base-Base interactions energy: -9.437 where: short stacking energy: -9.437 Base-Backbone interact. energy: -0.000 local terms energy: -16.756179 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -3.012 flat angles P-C4'-P energy: -2.108 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: 8, replica: 4 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -21.081888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.081888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.081888 (E_RNA) where: Base-Base interactions energy: -8.309 where: short stacking energy: -8.309 Base-Backbone interact. energy: -0.000 local terms energy: -12.773221 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -3.364 flat angles C4'-P-C4' energy: -3.009 flat angles P-C4'-P energy: -1.200 tors. eta vs tors. theta energy: -1.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -22.432889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.432889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.432889 (E_RNA) where: Base-Base interactions energy: -5.814 where: short stacking energy: -5.814 Base-Backbone interact. energy: -0.019 local terms energy: -16.600352 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.447 flat angles P-C4'-P energy: -0.973 tors. eta vs tors. theta energy: -1.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -18.507570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.507570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.507570 (E_RNA) where: Base-Base interactions energy: -3.543 where: short stacking energy: -3.543 Base-Backbone interact. energy: -0.035 local terms energy: -14.929607 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -2.802 flat angles P-C4'-P energy: -1.809 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: 1, replica: 5 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -28.591343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.591343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.591343 (E_RNA) where: Base-Base interactions energy: -12.624 where: short stacking energy: -12.624 Base-Backbone interact. energy: -0.000 local terms energy: -15.967358 where: bonds (distance) C4'-P energy: -3.450 bonds (distance) P-C4' energy: -4.606 flat angles C4'-P-C4' energy: -1.138 flat angles P-C4'-P energy: -2.254 tors. eta vs tors. theta energy: -4.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -29.706785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.706785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.706785 (E_RNA) where: Base-Base interactions energy: -11.208 where: short stacking energy: -11.208 Base-Backbone interact. energy: -0.000 local terms energy: -18.499198 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.176 flat angles P-C4'-P energy: -1.282 tors. eta vs tors. theta energy: -4.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -23.521912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.521912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.521912 (E_RNA) where: Base-Base interactions energy: -6.434 where: short stacking energy: -6.434 Base-Backbone interact. energy: -0.037 local terms energy: -17.050317 where: bonds (distance) C4'-P energy: -4.270 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.138 flat angles P-C4'-P energy: -3.778 tors. eta vs tors. theta energy: 0.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -26.880980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.880980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.880980 (E_RNA) where: Base-Base interactions energy: -10.836 where: short stacking energy: -10.836 Base-Backbone interact. energy: -0.000 local terms energy: -16.045046 where: bonds (distance) C4'-P energy: -1.323 bonds (distance) P-C4' energy: -3.811 flat angles C4'-P-C4' energy: -4.136 flat angles P-C4'-P energy: -2.519 tors. eta vs tors. theta energy: -4.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -24.397454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.397454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.397454 (E_RNA) where: Base-Base interactions energy: -11.252 where: short stacking energy: -11.252 Base-Backbone interact. energy: -0.090 local terms energy: -13.055667 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -4.467 flat angles P-C4'-P energy: -0.451 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: 6, replica: 2 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -26.858617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.858617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.858617 (E_RNA) where: Base-Base interactions energy: -8.542 where: short stacking energy: -8.542 Base-Backbone interact. energy: -0.023 local terms energy: -18.294017 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -3.106 flat angles C4'-P-C4' energy: -4.805 flat angles P-C4'-P energy: -3.240 tors. eta vs tors. theta energy: -2.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -21.933574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.933574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.933574 (E_RNA) where: Base-Base interactions energy: -5.338 where: short stacking energy: -5.338 Base-Backbone interact. energy: -0.000 local terms energy: -16.595349 where: bonds (distance) C4'-P energy: -2.006 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.816 flat angles P-C4'-P energy: -3.477 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: 8, replica: 6 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -29.029987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.029987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.029987 (E_RNA) where: Base-Base interactions energy: -10.594 where: short stacking energy: -10.594 Base-Backbone interact. energy: -0.000 local terms energy: -18.435923 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -3.134 flat angles C4'-P-C4' energy: -3.903 flat angles P-C4'-P energy: -3.683 tors. eta vs tors. theta energy: -3.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -21.481048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.481048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.481048 (E_RNA) where: Base-Base interactions energy: -7.508 where: short stacking energy: -7.508 Base-Backbone interact. energy: -0.000 local terms energy: -13.973174 where: bonds (distance) C4'-P energy: -3.889 bonds (distance) P-C4' energy: -3.892 flat angles C4'-P-C4' energy: -4.309 flat angles P-C4'-P energy: -2.013 tors. eta vs tors. theta energy: 0.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -21.600786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.600786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.600786 (E_RNA) where: Base-Base interactions energy: -4.074 where: short stacking energy: -4.074 Base-Backbone interact. energy: -0.000 local terms energy: -17.526819 where: bonds (distance) C4'-P energy: -1.770 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.480 flat angles P-C4'-P energy: -2.886 tors. eta vs tors. theta energy: -4.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -25.189281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.189281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.189281 (E_RNA) where: Base-Base interactions energy: -6.397 where: short stacking energy: -6.397 Base-Backbone interact. energy: -0.066 local terms energy: -18.726988 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.187 flat angles P-C4'-P energy: -3.862 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: 2, replica: 5 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -24.296998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.296998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.296998 (E_RNA) where: Base-Base interactions energy: -5.732 where: short stacking energy: -5.732 Base-Backbone interact. energy: -0.013 local terms energy: -18.551588 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.314 flat angles C4'-P-C4' energy: -4.271 flat angles P-C4'-P energy: -3.901 tors. eta vs tors. theta energy: -1.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -23.764860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.764860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.764860 (E_RNA) where: Base-Base interactions energy: -6.224 where: short stacking energy: -6.224 Base-Backbone interact. energy: -0.000 local terms energy: -17.541083 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.384 flat angles P-C4'-P energy: -2.036 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: 4, replica: 7 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -26.851307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.851307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.851307 (E_RNA) where: Base-Base interactions energy: -7.607 where: short stacking energy: -7.607 Base-Backbone interact. energy: -0.000 local terms energy: -19.244337 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.649 flat angles P-C4'-P energy: -2.107 tors. eta vs tors. theta energy: -2.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -25.778711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.778711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.778711 (E_RNA) where: Base-Base interactions energy: -10.509 where: short stacking energy: -10.509 Base-Backbone interact. energy: -0.000 local terms energy: -15.269987 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.339 flat angles C4'-P-C4' energy: -4.222 flat angles P-C4'-P energy: -1.347 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: 6, replica: 8 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -23.360960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.360960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.360960 (E_RNA) where: Base-Base interactions energy: -8.393 where: short stacking energy: -8.393 Base-Backbone interact. energy: -0.162 local terms energy: -14.806140 where: bonds (distance) C4'-P energy: -3.318 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.466 flat angles P-C4'-P energy: -2.557 tors. eta vs tors. theta energy: 0.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -28.592570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.592570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.592570 (E_RNA) where: Base-Base interactions energy: -9.535 where: short stacking energy: -9.535 Base-Backbone interact. energy: -0.000 local terms energy: -19.057559 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.522 flat angles P-C4'-P energy: -2.199 tors. eta vs tors. theta energy: -4.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -21.848239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.848239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.848239 (E_RNA) where: Base-Base interactions energy: -3.091 where: short stacking energy: -3.091 Base-Backbone interact. energy: -0.000 local terms energy: -18.757376 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.324 flat angles P-C4'-P energy: -3.167 tors. eta vs tors. theta energy: -1.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -19.597977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.597977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.597977 (E_RNA) where: Base-Base interactions energy: -3.826 where: short stacking energy: -3.826 Base-Backbone interact. energy: -0.000 local terms energy: -15.772155 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -2.711 flat angles P-C4'-P energy: -3.107 tors. eta vs tors. theta energy: -0.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -20.447643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.447643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.447643 (E_RNA) where: Base-Base interactions energy: -7.414 where: short stacking energy: -7.414 Base-Backbone interact. energy: -0.000 local terms energy: -13.033738 where: bonds (distance) C4'-P energy: -4.742 bonds (distance) P-C4' energy: -4.051 flat angles C4'-P-C4' energy: -1.677 flat angles P-C4'-P energy: -1.875 tors. eta vs tors. theta energy: -0.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -24.305349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.305349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.305349 (E_RNA) where: Base-Base interactions energy: -8.302 where: short stacking energy: -8.302 Base-Backbone interact. energy: -0.000 local terms energy: -16.002977 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -4.609 flat angles P-C4'-P energy: -2.455 tors. eta vs tors. theta energy: -0.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -29.153628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.153628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.153628 (E_RNA) where: Base-Base interactions energy: -12.076 where: short stacking energy: -12.076 Base-Backbone interact. energy: -0.000 local terms energy: -17.077256 where: bonds (distance) C4'-P energy: -4.311 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.246 flat angles P-C4'-P energy: -1.794 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: 3, replica: 5 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -27.818305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.818305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.818305 (E_RNA) where: Base-Base interactions energy: -7.900 where: short stacking energy: -7.900 Base-Backbone interact. energy: -0.004 local terms energy: -19.913962 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.220 flat angles P-C4'-P energy: -3.944 tors. eta vs tors. theta energy: -2.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -22.643651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.643651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.643651 (E_RNA) where: Base-Base interactions energy: -4.174 where: short stacking energy: -4.174 Base-Backbone interact. energy: -0.082 local terms energy: -18.387902 where: bonds (distance) C4'-P energy: -3.673 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.034 flat angles P-C4'-P energy: -3.537 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: 5, replica: 7 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -20.219205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.219205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.219205 (E_RNA) where: Base-Base interactions energy: -3.562 where: short stacking energy: -3.562 Base-Backbone interact. energy: -0.000 local terms energy: -16.657075 where: bonds (distance) C4'-P energy: -3.513 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.398 flat angles P-C4'-P energy: -3.892 tors. eta vs tors. theta energy: 0.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -22.835087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.835087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.835087 (E_RNA) where: Base-Base interactions energy: -7.071 where: short stacking energy: -7.071 Base-Backbone interact. energy: -0.010 local terms energy: -15.754029 where: bonds (distance) C4'-P energy: -3.036 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -3.691 flat angles P-C4'-P energy: -3.121 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: 329 Temperature: 1.200000 Total energy: -24.207318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.207318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.207318 (E_RNA) where: Base-Base interactions energy: -8.352 where: short stacking energy: -8.352 Base-Backbone interact. energy: -0.000 local terms energy: -15.854824 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -3.529 flat angles C4'-P-C4' energy: -0.998 flat angles P-C4'-P energy: -3.563 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: 8, replica: 10 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -23.771867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.771867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.771867 (E_RNA) where: Base-Base interactions energy: -6.703 where: short stacking energy: -7.203 Base-Backbone interact. energy: -0.030 local terms energy: -17.038788 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.118 flat angles P-C4'-P energy: -3.337 tors. eta vs tors. theta energy: -0.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -20.929402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.929402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.929402 (E_RNA) where: Base-Base interactions energy: -5.224 where: short stacking energy: -5.224 Base-Backbone interact. energy: -0.070 local terms energy: -15.635397 where: bonds (distance) C4'-P energy: -3.823 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.027 flat angles P-C4'-P energy: -3.579 tors. eta vs tors. theta energy: 0.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -24.905193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.905193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.905193 (E_RNA) where: Base-Base interactions energy: -7.357 where: short stacking energy: -7.357 Base-Backbone interact. energy: -0.000 local terms energy: -17.548172 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.517 flat angles P-C4'-P energy: -2.937 tors. eta vs tors. theta energy: -1.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -25.899356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.899356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.899356 (E_RNA) where: Base-Base interactions energy: -7.981 where: short stacking energy: -7.981 Base-Backbone interact. energy: -0.015 local terms energy: -17.902899 where: bonds (distance) C4'-P energy: -3.050 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.118 flat angles P-C4'-P energy: -3.330 tors. eta vs tors. theta energy: -2.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -25.764998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.764998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.764998 (E_RNA) where: Base-Base interactions energy: -7.418 where: short stacking energy: -7.418 Base-Backbone interact. energy: -0.100 local terms energy: -18.246576 where: bonds (distance) C4'-P energy: -3.198 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.877 flat angles P-C4'-P energy: -2.840 tors. eta vs tors. theta energy: -2.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -25.352883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.352883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.352883 (E_RNA) where: Base-Base interactions energy: -6.884 where: short stacking energy: -6.884 Base-Backbone interact. energy: -0.000 local terms energy: -18.468423 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -3.370 flat angles C4'-P-C4' energy: -4.199 flat angles P-C4'-P energy: -3.740 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: 4, replica: 5 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -26.643458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.643458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.643458 (E_RNA) where: Base-Base interactions energy: -6.804 where: short stacking energy: -6.804 Base-Backbone interact. energy: -0.000 local terms energy: -19.839446 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.643 flat angles P-C4'-P energy: -2.232 tors. eta vs tors. theta energy: -4.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -20.725945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.725945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.725945 (E_RNA) where: Base-Base interactions energy: -5.700 where: short stacking energy: -5.700 Base-Backbone interact. energy: -0.007 local terms energy: -15.018701 where: bonds (distance) C4'-P energy: -2.751 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -4.221 flat angles P-C4'-P energy: -3.211 tors. eta vs tors. theta energy: -0.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -26.669240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.669240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.669240 (E_RNA) where: Base-Base interactions energy: -10.960 where: short stacking energy: -10.960 Base-Backbone interact. energy: -0.004 local terms energy: -15.706022 where: bonds (distance) C4'-P energy: -3.045 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -3.917 flat angles P-C4'-P energy: -2.596 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: 10 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -23.340080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.340080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.340080 (E_RNA) where: Base-Base interactions energy: -6.922 where: short stacking energy: -6.922 Base-Backbone interact. energy: -0.015 local terms energy: -16.403478 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.594 flat angles P-C4'-P energy: -2.278 tors. eta vs tors. theta energy: -0.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -25.577780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.577780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.577780 (E_RNA) where: Base-Base interactions energy: -6.668 where: short stacking energy: -6.668 Base-Backbone interact. energy: -0.000 local terms energy: -18.909674 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.575 flat angles C4'-P-C4' energy: -4.120 flat angles P-C4'-P energy: -3.367 tors. eta vs tors. theta energy: -2.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -20.779334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.779334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.779334 (E_RNA) where: Base-Base interactions energy: -6.148 where: short stacking energy: -6.148 Base-Backbone interact. energy: -0.000 local terms energy: -14.630998 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.606 flat angles C4'-P-C4' energy: -2.557 flat angles P-C4'-P energy: -2.071 tors. eta vs tors. theta energy: -1.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -20.098452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.098452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.098452 (E_RNA) where: Base-Base interactions energy: -4.235 where: short stacking energy: -4.235 Base-Backbone interact. energy: -0.001 local terms energy: -15.862016 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.872 flat angles P-C4'-P energy: -3.389 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: 1, replica: 1 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -26.226467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.226467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.226467 (E_RNA) where: Base-Base interactions energy: -7.632 where: short stacking energy: -7.632 Base-Backbone interact. energy: -0.008 local terms energy: -18.585872 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -3.923 flat angles P-C4'-P energy: -3.618 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: 2 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -26.207340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.207340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.207340 (E_RNA) where: Base-Base interactions energy: -7.468 where: short stacking energy: -7.468 Base-Backbone interact. energy: -0.000 local terms energy: -18.738963 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -3.761 flat angles P-C4'-P energy: -3.506 tors. eta vs tors. theta energy: -1.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -25.617003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.617003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.617003 (E_RNA) where: Base-Base interactions energy: -7.931 where: short stacking energy: -7.931 Base-Backbone interact. energy: -0.003 local terms energy: -17.683182 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.678 flat angles C4'-P-C4' energy: -4.716 flat angles P-C4'-P energy: -2.782 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: 4, replica: 6 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -26.750694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.750694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.750694 (E_RNA) where: Base-Base interactions energy: -9.238 where: short stacking energy: -9.238 Base-Backbone interact. energy: -0.000 local terms energy: -17.512406 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -4.336 flat angles C4'-P-C4' energy: -3.246 flat angles P-C4'-P energy: -3.891 tors. eta vs tors. theta energy: -2.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -22.913285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.913285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.913285 (E_RNA) where: Base-Base interactions energy: -3.842 where: short stacking energy: -3.842 Base-Backbone interact. energy: -0.006 local terms energy: -19.065624 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -3.128 flat angles C4'-P-C4' energy: -4.271 flat angles P-C4'-P energy: -3.693 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: 6, replica: 7 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -26.433734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.433734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.433734 (E_RNA) where: Base-Base interactions energy: -7.605 where: short stacking energy: -7.605 Base-Backbone interact. energy: -0.000 local terms energy: -18.828296 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.740 flat angles P-C4'-P energy: -1.922 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: 7, replica: 10 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -22.415903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.415903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.415903 (E_RNA) where: Base-Base interactions energy: -7.051 where: short stacking energy: -7.051 Base-Backbone interact. energy: -0.000 local terms energy: -15.365019 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -1.528 flat angles P-C4'-P energy: -3.311 tors. eta vs tors. theta energy: -1.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -22.500797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.500797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.500797 (E_RNA) where: Base-Base interactions energy: -4.269 where: short stacking energy: -4.269 Base-Backbone interact. energy: -0.003 local terms energy: -18.228884 where: bonds (distance) C4'-P energy: -3.645 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.513 flat angles P-C4'-P energy: -3.814 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: 9, replica: 8 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -22.757166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.757166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.757166 (E_RNA) where: Base-Base interactions energy: -8.422 where: short stacking energy: -8.422 Base-Backbone interact. energy: -0.039 local terms energy: -14.295771 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.572 flat angles C4'-P-C4' energy: -1.841 flat angles P-C4'-P energy: -2.970 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: 10, replica: 9 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -21.229397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.229397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.229397 (E_RNA) where: Base-Base interactions energy: -2.818 where: short stacking energy: -2.818 Base-Backbone interact. energy: -0.000 local terms energy: -18.411315 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -3.606 flat angles P-C4'-P energy: -3.918 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: 1, replica: 2 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -28.890823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.890823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.890823 (E_RNA) where: Base-Base interactions energy: -10.403 where: short stacking energy: -10.403 Base-Backbone interact. energy: -0.000 local terms energy: -18.487508 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -3.811 flat angles C4'-P-C4' energy: -3.827 flat angles P-C4'-P energy: -3.026 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: 2, replica: 1 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -25.509828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.509828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.509828 (E_RNA) where: Base-Base interactions energy: -7.694 where: short stacking energy: -7.694 Base-Backbone interact. energy: -0.005 local terms energy: -17.811360 where: bonds (distance) C4'-P energy: -3.301 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.595 flat angles P-C4'-P energy: -2.435 tors. eta vs tors. theta energy: -2.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -26.864218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.864218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.864218 (E_RNA) where: Base-Base interactions energy: -8.227 where: short stacking energy: -8.227 Base-Backbone interact. energy: -0.000 local terms energy: -18.636854 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -4.219 flat angles P-C4'-P energy: -3.422 tors. eta vs tors. theta energy: -2.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -26.455129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.455129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.455129 (E_RNA) where: Base-Base interactions energy: -6.991 where: short stacking energy: -6.991 Base-Backbone interact. energy: -0.000 local terms energy: -19.463920 where: bonds (distance) C4'-P energy: -2.920 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.605 flat angles P-C4'-P energy: -3.531 tors. eta vs tors. theta energy: -4.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -20.546758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.546758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.546758 (E_RNA) where: Base-Base interactions energy: -6.850 where: short stacking energy: -6.850 Base-Backbone interact. energy: -0.024 local terms energy: -13.673402 where: bonds (distance) C4'-P energy: -2.536 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.070 flat angles P-C4'-P energy: -1.728 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: 6, replica: 5 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -24.356908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.356908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.356908 (E_RNA) where: Base-Base interactions energy: -7.036 where: short stacking energy: -7.036 Base-Backbone interact. energy: -0.027 local terms energy: -17.293979 where: bonds (distance) C4'-P energy: -2.689 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -3.656 flat angles P-C4'-P energy: -3.242 tors. eta vs tors. theta energy: -3.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -25.517569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.517569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.517569 (E_RNA) where: Base-Base interactions energy: -6.699 where: short stacking energy: -6.699 Base-Backbone interact. energy: -0.000 local terms energy: -18.819030 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -3.793 flat angles C4'-P-C4' energy: -4.485 flat angles P-C4'-P energy: -2.708 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: 8, replica: 10 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -20.375451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.375451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.375451 (E_RNA) where: Base-Base interactions energy: -5.826 where: short stacking energy: -5.826 Base-Backbone interact. energy: -0.000 local terms energy: -14.549587 where: bonds (distance) C4'-P energy: -3.761 bonds (distance) P-C4' energy: -3.297 flat angles C4'-P-C4' energy: -2.722 flat angles P-C4'-P energy: -3.201 tors. eta vs tors. theta energy: -1.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -22.210797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.210797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.210797 (E_RNA) where: Base-Base interactions energy: -7.158 where: short stacking energy: -7.158 Base-Backbone interact. energy: -0.000 local terms energy: -15.052492 where: bonds (distance) C4'-P energy: -2.316 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -4.169 flat angles P-C4'-P energy: 0.444 tors. eta vs tors. theta energy: -4.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -21.647431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.647431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.647431 (E_RNA) where: Base-Base interactions energy: -5.584 where: short stacking energy: -5.584 Base-Backbone interact. energy: -0.000 local terms energy: -16.063288 where: bonds (distance) C4'-P energy: -3.161 bonds (distance) P-C4' energy: -4.839 flat angles C4'-P-C4' energy: -2.125 flat angles P-C4'-P energy: -3.260 tors. eta vs tors. theta energy: -2.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -25.646009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.646009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.646009 (E_RNA) where: Base-Base interactions energy: -7.768 where: short stacking energy: -7.768 Base-Backbone interact. energy: -0.084 local terms energy: -17.794382 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.083 flat angles P-C4'-P energy: -1.192 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: 2, replica: 6 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -29.070517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.070517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.070517 (E_RNA) where: Base-Base interactions energy: -10.050 where: short stacking energy: -10.050 Base-Backbone interact. energy: -0.000 local terms energy: -19.020029 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.799 flat angles P-C4'-P energy: -3.892 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: 3, replica: 1 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -27.013092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.013092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.013092 (E_RNA) where: Base-Base interactions energy: -9.787 where: short stacking energy: -9.787 Base-Backbone interact. energy: -0.000 local terms energy: -17.225988 where: bonds (distance) C4'-P energy: -3.939 bonds (distance) P-C4' energy: -3.557 flat angles C4'-P-C4' energy: -3.707 flat angles P-C4'-P energy: -1.149 tors. eta vs tors. theta energy: -4.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -26.545188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.545188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.545188 (E_RNA) where: Base-Base interactions energy: -7.304 where: short stacking energy: -7.304 Base-Backbone interact. energy: -0.000 local terms energy: -19.241525 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.641 flat angles P-C4'-P energy: -3.363 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: 5, replica: 3 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -23.876051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.876051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.876051 (E_RNA) where: Base-Base interactions energy: -7.033 where: short stacking energy: -7.033 Base-Backbone interact. energy: -0.000 local terms energy: -16.842744 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.367 flat angles C4'-P-C4' energy: -3.636 flat angles P-C4'-P energy: -2.840 tors. eta vs tors. theta energy: -1.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -22.516179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.516179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.516179 (E_RNA) where: Base-Base interactions energy: -6.760 where: short stacking energy: -6.760 Base-Backbone interact. energy: -1.089 local terms energy: -14.667201 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -3.853 flat angles P-C4'-P energy: -3.573 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: 7, replica: 5 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -20.731387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.731387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.731387 (E_RNA) where: Base-Base interactions energy: -4.665 where: short stacking energy: -4.665 Base-Backbone interact. energy: -0.051 local terms energy: -16.014771 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -3.877 flat angles P-C4'-P energy: -2.802 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: 8, replica: 9 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -20.895563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.895563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.895563 (E_RNA) where: Base-Base interactions energy: -5.104 where: short stacking energy: -5.104 Base-Backbone interact. energy: -0.000 local terms energy: -15.791191 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -3.874 flat angles P-C4'-P energy: -2.816 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: 9, replica: 10 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -22.359935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.359935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.359935 (E_RNA) where: Base-Base interactions energy: -5.895 where: short stacking energy: -5.895 Base-Backbone interact. energy: -0.053 local terms energy: -16.412060 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -4.678 flat angles C4'-P-C4' energy: -4.100 flat angles P-C4'-P energy: -3.414 tors. eta vs tors. theta energy: -0.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -26.717771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.717771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.717771 (E_RNA) where: Base-Base interactions energy: -9.719 where: short stacking energy: -9.719 Base-Backbone interact. energy: -0.001 local terms energy: -16.997785 where: bonds (distance) C4'-P energy: -3.045 bonds (distance) P-C4' energy: -2.603 flat angles C4'-P-C4' energy: -4.437 flat angles P-C4'-P energy: -3.270 tors. eta vs tors. theta energy: -3.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -27.494877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.494877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.494877 (E_RNA) where: Base-Base interactions energy: -7.620 where: short stacking energy: -7.620 Base-Backbone interact. energy: -0.000 local terms energy: -19.874864 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.082 flat angles P-C4'-P energy: -3.832 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: 2, replica: 2 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -26.975804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.975804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.975804 (E_RNA) where: Base-Base interactions energy: -6.996 where: short stacking energy: -7.396 Base-Backbone interact. energy: -0.025 local terms energy: -19.955177 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.491 flat angles P-C4'-P energy: -3.805 tors. eta vs tors. theta energy: -2.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -22.515249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.515249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.515249 (E_RNA) where: Base-Base interactions energy: -7.831 where: short stacking energy: -7.831 Base-Backbone interact. energy: -0.001 local terms energy: -14.683521 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -4.051 flat angles C4'-P-C4' energy: -3.608 flat angles P-C4'-P energy: -3.417 tors. eta vs tors. theta energy: 0.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -24.354944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.354944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.354944 (E_RNA) where: Base-Base interactions energy: -7.698 where: short stacking energy: -7.698 Base-Backbone interact. energy: -0.034 local terms energy: -16.622465 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.662 flat angles P-C4'-P energy: -3.221 tors. eta vs tors. theta energy: 0.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -23.792953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.792953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.792953 (E_RNA) where: Base-Base interactions energy: -9.299 where: short stacking energy: -9.299 Base-Backbone interact. energy: -0.002 local terms energy: -14.492687 where: bonds (distance) C4'-P energy: -3.939 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -3.972 flat angles P-C4'-P energy: -1.293 tors. eta vs tors. theta energy: -0.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -23.303774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.303774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.303774 (E_RNA) where: Base-Base interactions energy: -6.428 where: short stacking energy: -6.428 Base-Backbone interact. energy: -0.073 local terms energy: -16.802811 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -3.976 flat angles P-C4'-P energy: -3.355 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: 7, replica: 9 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -20.045236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.045236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.045236 (E_RNA) where: Base-Base interactions energy: -5.013 where: short stacking energy: -5.013 Base-Backbone interact. energy: -0.004 local terms energy: -15.028187 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.432 flat angles P-C4'-P energy: -3.511 tors. eta vs tors. theta energy: 1.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -26.234907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.234907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.234907 (E_RNA) where: Base-Base interactions energy: -6.705 where: short stacking energy: -6.705 Base-Backbone interact. energy: -0.000 local terms energy: -19.529902 where: bonds (distance) C4'-P energy: -3.326 bonds (distance) P-C4' energy: -4.606 flat angles C4'-P-C4' energy: -4.731 flat angles P-C4'-P energy: -1.779 tors. eta vs tors. theta energy: -5.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -21.292088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.292088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.292088 (E_RNA) where: Base-Base interactions energy: -6.762 where: short stacking energy: -6.762 Base-Backbone interact. energy: -0.023 local terms energy: -14.507242 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -2.687 flat angles C4'-P-C4' energy: -3.912 flat angles P-C4'-P energy: -3.151 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: 10, replica: 10 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -20.626228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.626228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.626228 (E_RNA) where: Base-Base interactions energy: -4.422 where: short stacking energy: -4.422 Base-Backbone interact. energy: -0.000 local terms energy: -16.204713 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -4.129 flat angles P-C4'-P energy: -0.680 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: 335 Temperature: 0.900000 Total energy: -31.123791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.123791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.123791 (E_RNA) where: Base-Base interactions energy: -12.585 where: short stacking energy: -12.585 Base-Backbone interact. energy: -0.002 local terms energy: -18.537371 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -3.966 flat angles C4'-P-C4' energy: -3.787 flat angles P-C4'-P energy: -3.254 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: 2, replica: 7 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -28.108806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.108806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.108806 (E_RNA) where: Base-Base interactions energy: -12.797 where: short stacking energy: -12.797 Base-Backbone interact. energy: -0.008 local terms energy: -15.303872 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -2.969 flat angles C4'-P-C4' energy: -2.381 flat angles P-C4'-P energy: -3.469 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: 2 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -30.169765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.169765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.169765 (E_RNA) where: Base-Base interactions energy: -11.708 where: short stacking energy: -11.708 Base-Backbone interact. energy: -0.000 local terms energy: -18.462037 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -3.785 flat angles P-C4'-P energy: -1.980 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: 4, replica: 4 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -26.610456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.610456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.610456 (E_RNA) where: Base-Base interactions energy: -9.804 where: short stacking energy: -9.804 Base-Backbone interact. energy: -0.026 local terms energy: -16.780310 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -2.958 flat angles P-C4'-P energy: -3.257 tors. eta vs tors. theta energy: -1.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -24.794425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.794425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.794425 (E_RNA) where: Base-Base interactions energy: -7.536 where: short stacking energy: -7.536 Base-Backbone interact. energy: -0.000 local terms energy: -17.258048 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -4.205 flat angles C4'-P-C4' energy: -0.984 flat angles P-C4'-P energy: -3.633 tors. eta vs tors. theta energy: -4.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -21.400896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.400896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.400896 (E_RNA) where: Base-Base interactions energy: -7.049 where: short stacking energy: -7.049 Base-Backbone interact. energy: -0.084 local terms energy: -14.267918 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -3.364 flat angles C4'-P-C4' energy: -3.364 flat angles P-C4'-P energy: -3.376 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: 7, replica: 3 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -21.302123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.302123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.302123 (E_RNA) where: Base-Base interactions energy: -4.415 where: short stacking energy: -4.415 Base-Backbone interact. energy: -0.000 local terms energy: -16.886843 where: bonds (distance) C4'-P energy: -3.645 bonds (distance) P-C4' energy: -4.103 flat angles C4'-P-C4' energy: -4.659 flat angles P-C4'-P energy: -2.017 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: 8 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -21.355032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.355032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.355032 (E_RNA) where: Base-Base interactions energy: -6.964 where: short stacking energy: -6.964 Base-Backbone interact. energy: -0.085 local terms energy: -14.305239 where: bonds (distance) C4'-P energy: -3.161 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.390 flat angles P-C4'-P energy: -2.538 tors. eta vs tors. theta energy: -0.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -22.122835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.122835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.122835 (E_RNA) where: Base-Base interactions energy: -4.703 where: short stacking energy: -4.703 Base-Backbone interact. energy: -0.000 local terms energy: -17.419696 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.801 flat angles P-C4'-P energy: -3.561 tors. eta vs tors. theta energy: 0.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -23.354416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.354416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.354416 (E_RNA) where: Base-Base interactions energy: -7.466 where: short stacking energy: -7.466 Base-Backbone interact. energy: -0.000 local terms energy: -15.888058 where: bonds (distance) C4'-P energy: -3.789 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.955 flat angles P-C4'-P energy: -1.330 tors. eta vs tors. theta energy: -1.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -29.612543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.612543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.612543 (E_RNA) where: Base-Base interactions energy: -10.980 where: short stacking energy: -10.980 Base-Backbone interact. energy: -0.000 local terms energy: -18.632541 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -3.805 flat angles P-C4'-P energy: -3.873 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: 2, replica: 6 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -23.619556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.619556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.619556 (E_RNA) where: Base-Base interactions energy: -7.531 where: short stacking energy: -7.531 Base-Backbone interact. energy: -0.079 local terms energy: -16.009635 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.618 flat angles P-C4'-P energy: -3.291 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: 3, replica: 4 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -30.880846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.880846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.880846 (E_RNA) where: Base-Base interactions energy: -11.083 where: short stacking energy: -11.083 Base-Backbone interact. energy: -0.000 local terms energy: -19.797759 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.156 flat angles C4'-P-C4' energy: -3.761 flat angles P-C4'-P energy: -2.867 tors. eta vs tors. theta energy: -4.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -24.975349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.975349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.975349 (E_RNA) where: Base-Base interactions energy: -7.151 where: short stacking energy: -7.151 Base-Backbone interact. energy: -0.000 local terms energy: -17.824238 where: bonds (distance) C4'-P energy: -3.939 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.479 flat angles P-C4'-P energy: -2.140 tors. eta vs tors. theta energy: -2.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -25.938811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.938811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.938811 (E_RNA) where: Base-Base interactions energy: -7.002 where: short stacking energy: -7.002 Base-Backbone interact. energy: -0.000 local terms energy: -18.937180 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.820 flat angles P-C4'-P energy: -2.646 tors. eta vs tors. theta energy: -3.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -24.648004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.648004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.648004 (E_RNA) where: Base-Base interactions energy: -6.079 where: short stacking energy: -6.079 Base-Backbone interact. energy: -0.000 local terms energy: -18.569503 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -2.831 flat angles P-C4'-P energy: -2.726 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: 7, replica: 8 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -20.499421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.499421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.499421 (E_RNA) where: Base-Base interactions energy: -4.976 where: short stacking energy: -4.976 Base-Backbone interact. energy: -0.057 local terms energy: -15.466208 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.993 flat angles P-C4'-P energy: -2.029 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: 3 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -23.272521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.272521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.272521 (E_RNA) where: Base-Base interactions energy: -4.378 where: short stacking energy: -4.378 Base-Backbone interact. energy: -0.009 local terms energy: -18.884652 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.736 flat angles P-C4'-P energy: -2.710 tors. eta vs tors. theta energy: -2.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -21.588470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.588470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.588470 (E_RNA) where: Base-Base interactions energy: -6.993 where: short stacking energy: -6.993 Base-Backbone interact. energy: -0.002 local terms energy: -14.592954 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -2.921 flat angles P-C4'-P energy: -2.901 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: 336 Temperature: 1.350000 Total energy: -20.994087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.994087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.994087 (E_RNA) where: Base-Base interactions energy: -6.443 where: short stacking energy: -6.670 Base-Backbone interact. energy: -0.002 local terms energy: -14.548894 where: bonds (distance) C4'-P energy: -2.626 bonds (distance) P-C4' energy: -3.652 flat angles C4'-P-C4' energy: -3.101 flat angles P-C4'-P energy: -2.952 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: 1, replica: 7 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -27.099743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.099743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.099743 (E_RNA) where: Base-Base interactions energy: -12.376 where: short stacking energy: -12.376 Base-Backbone interact. energy: 0.103 local terms energy: -14.826321 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -2.025 flat angles C4'-P-C4' energy: -4.256 flat angles P-C4'-P energy: -3.185 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: 2, replica: 4 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -25.069529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.069529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.069529 (E_RNA) where: Base-Base interactions energy: -7.186 where: short stacking energy: -7.186 Base-Backbone interact. energy: -0.007 local terms energy: -17.876374 where: bonds (distance) C4'-P energy: -3.861 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.262 flat angles P-C4'-P energy: -3.504 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: 3, replica: 6 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -27.786712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.786712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.786712 (E_RNA) where: Base-Base interactions energy: -7.639 where: short stacking energy: -7.639 Base-Backbone interact. energy: -0.000 local terms energy: -20.147563 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.010 flat angles P-C4'-P energy: -2.795 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: 4, replica: 9 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -24.950474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.950474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.950474 (E_RNA) where: Base-Base interactions energy: -9.077 where: short stacking energy: -9.077 Base-Backbone interact. energy: -0.003 local terms energy: -15.870853 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.117 flat angles P-C4'-P energy: -0.527 tors. eta vs tors. theta energy: -1.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -28.170078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.170078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.170078 (E_RNA) where: Base-Base interactions energy: -9.764 where: short stacking energy: -9.764 Base-Backbone interact. energy: -0.003 local terms energy: -18.403813 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.717 flat angles P-C4'-P energy: -2.175 tors. eta vs tors. theta energy: -2.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -28.151592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.151592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.151592 (E_RNA) where: Base-Base interactions energy: -10.168 where: short stacking energy: -10.168 Base-Backbone interact. energy: -0.000 local terms energy: -17.983807 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.659 flat angles P-C4'-P energy: -1.918 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: 7, replica: 1 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -25.304295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.304295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.304295 (E_RNA) where: Base-Base interactions energy: -5.464 where: short stacking energy: -5.464 Base-Backbone interact. energy: -0.000 local terms energy: -19.840020 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -3.726 flat angles C4'-P-C4' energy: -4.712 flat angles P-C4'-P energy: -2.094 tors. eta vs tors. theta energy: -5.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -25.420349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.420349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.420349 (E_RNA) where: Base-Base interactions energy: -7.573 where: short stacking energy: -7.573 Base-Backbone interact. energy: -0.000 local terms energy: -17.847718 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.061 flat angles P-C4'-P energy: -2.173 tors. eta vs tors. theta energy: -2.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -23.392144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.392144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.392144 (E_RNA) where: Base-Base interactions energy: -7.626 where: short stacking energy: -7.626 Base-Backbone interact. energy: -0.080 local terms energy: -15.686098 where: bonds (distance) C4'-P energy: -2.751 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.144 flat angles P-C4'-P energy: -3.865 tors. eta vs tors. theta energy: -0.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -22.637294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.637294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.637294 (E_RNA) where: Base-Base interactions energy: -4.384 where: short stacking energy: -4.384 Base-Backbone interact. energy: -0.005 local terms energy: -18.247633 where: bonds (distance) C4'-P energy: -2.920 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.441 flat angles P-C4'-P energy: -3.503 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: 1, replica: 4 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -26.692654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.692654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.692654 (E_RNA) where: Base-Base interactions energy: -7.996 where: short stacking energy: -7.996 Base-Backbone interact. energy: -0.000 local terms energy: -18.696233 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.948 flat angles C4'-P-C4' energy: -3.638 flat angles P-C4'-P energy: -2.878 tors. eta vs tors. theta energy: -3.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -27.764298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.764298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.764298 (E_RNA) where: Base-Base interactions energy: -8.351 where: short stacking energy: -8.351 Base-Backbone interact. energy: -0.000 local terms energy: -19.413376 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -3.861 flat angles P-C4'-P energy: -2.010 tors. eta vs tors. theta energy: -4.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -24.978010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.978010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.978010 (E_RNA) where: Base-Base interactions energy: -8.431 where: short stacking energy: -8.431 Base-Backbone interact. energy: -0.000 local terms energy: -16.547202 where: bonds (distance) C4'-P energy: -2.962 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -2.493 flat angles P-C4'-P energy: -2.707 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: 338 Temperature: 1.050000 Total energy: -25.707492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.707492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.707492 (E_RNA) where: Base-Base interactions energy: -8.296 where: short stacking energy: -8.296 Base-Backbone interact. energy: -0.002 local terms energy: -17.409782 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -3.960 flat angles P-C4'-P energy: -2.290 tors. eta vs tors. theta energy: -2.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -25.661200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.661200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.661200 (E_RNA) where: Base-Base interactions energy: -8.313 where: short stacking energy: -8.313 Base-Backbone interact. energy: -0.099 local terms energy: -17.249261 where: bonds (distance) C4'-P energy: -3.939 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.559 flat angles P-C4'-P energy: -2.216 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: 6, replica: 8 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -26.210564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.210564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.210564 (E_RNA) where: Base-Base interactions energy: -7.228 where: short stacking energy: -7.228 Base-Backbone interact. energy: -0.000 local terms energy: -18.982358 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.051 flat angles C4'-P-C4' energy: -3.848 flat angles P-C4'-P energy: -3.056 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: 7, replica: 1 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -20.729109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.729109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.729109 (E_RNA) where: Base-Base interactions energy: -4.910 where: short stacking energy: -4.910 Base-Backbone interact. energy: -0.000 local terms energy: -15.819240 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -3.811 flat angles C4'-P-C4' energy: -3.929 flat angles P-C4'-P energy: -2.778 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: 10 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -20.841583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.841583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.841583 (E_RNA) where: Base-Base interactions energy: -4.174 where: short stacking energy: -4.174 Base-Backbone interact. energy: -0.000 local terms energy: -16.667495 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -4.472 flat angles P-C4'-P energy: -2.844 tors. eta vs tors. theta energy: -1.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -21.580134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.580134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.580134 (E_RNA) where: Base-Base interactions energy: -6.802 where: short stacking energy: -6.802 Base-Backbone interact. energy: -0.001 local terms energy: -14.777380 where: bonds (distance) C4'-P energy: -2.804 bonds (distance) P-C4' energy: -4.579 flat angles C4'-P-C4' energy: -3.832 flat angles P-C4'-P energy: -2.565 tors. eta vs tors. theta energy: -0.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -22.697373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.697373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.697373 (E_RNA) where: Base-Base interactions energy: -4.889 where: short stacking energy: -4.889 Base-Backbone interact. energy: -0.000 local terms energy: -17.808004 where: bonds (distance) C4'-P energy: -2.146 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.455 flat angles P-C4'-P energy: -3.071 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: 1, replica: 4 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -28.461596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.461596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.461596 (E_RNA) where: Base-Base interactions energy: -12.045 where: short stacking energy: -12.123 Base-Backbone interact. energy: -0.001 local terms energy: -16.415766 where: bonds (distance) C4'-P energy: -3.567 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -2.676 flat angles P-C4'-P energy: -2.750 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: 9 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -25.279220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.279220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.279220 (E_RNA) where: Base-Base interactions energy: -7.794 where: short stacking energy: -7.794 Base-Backbone interact. energy: -0.014 local terms energy: -17.470743 where: bonds (distance) C4'-P energy: -2.970 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -4.648 flat angles P-C4'-P energy: -3.473 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: 3, replica: 7 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -28.858280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.858280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.858280 (E_RNA) where: Base-Base interactions energy: -11.678 where: short stacking energy: -11.678 Base-Backbone interact. energy: -0.007 local terms energy: -17.172340 where: bonds (distance) C4'-P energy: -2.867 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.057 flat angles P-C4'-P energy: -1.929 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: 4, replica: 2 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -28.721051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.721051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.721051 (E_RNA) where: Base-Base interactions energy: -10.177 where: short stacking energy: -10.177 Base-Backbone interact. energy: -0.000 local terms energy: -18.544167 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -4.066 flat angles P-C4'-P energy: -2.253 tors. eta vs tors. theta energy: -3.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -21.266383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.266383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.266383 (E_RNA) where: Base-Base interactions energy: -4.729 where: short stacking energy: -4.729 Base-Backbone interact. energy: -0.000 local terms energy: -16.537117 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.946 flat angles P-C4'-P energy: -1.853 tors. eta vs tors. theta energy: -2.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -25.769620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.769620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.769620 (E_RNA) where: Base-Base interactions energy: -6.432 where: short stacking energy: -6.432 Base-Backbone interact. energy: -0.000 local terms energy: -19.337500 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -3.890 flat angles P-C4'-P energy: -3.777 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: 7, replica: 1 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -26.996662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.996662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.996662 (E_RNA) where: Base-Base interactions energy: -11.180 where: short stacking energy: -11.180 Base-Backbone interact. energy: -0.000 local terms energy: -15.815909 where: bonds (distance) C4'-P energy: -2.672 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -1.348 flat angles P-C4'-P energy: -2.628 tors. eta vs tors. theta energy: -4.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -20.010939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.010939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.010939 (E_RNA) where: Base-Base interactions energy: -6.218 where: short stacking energy: -6.218 Base-Backbone interact. energy: -0.034 local terms energy: -13.759472 where: bonds (distance) C4'-P energy: -4.171 bonds (distance) P-C4' energy: -4.314 flat angles C4'-P-C4' energy: -2.563 flat angles P-C4'-P energy: -1.834 tors. eta vs tors. theta energy: -0.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -18.901508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.901508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.901508 (E_RNA) where: Base-Base interactions energy: -4.382 where: short stacking energy: -4.382 Base-Backbone interact. energy: -0.000 local terms energy: -14.519108 where: bonds (distance) C4'-P energy: -2.163 bonds (distance) P-C4' energy: -3.991 flat angles C4'-P-C4' energy: -4.558 flat angles P-C4'-P energy: -1.953 tors. eta vs tors. theta energy: -1.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -21.631581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.631581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.631581 (E_RNA) where: Base-Base interactions energy: -6.635 where: short stacking energy: -6.635 Base-Backbone interact. energy: -0.049 local terms energy: -14.946900 where: bonds (distance) C4'-P energy: -0.436 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.241 flat angles P-C4'-P energy: -4.042 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: 1, replica: 9 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -27.451483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.451483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.451483 (E_RNA) where: Base-Base interactions energy: -7.125 where: short stacking energy: -7.125 Base-Backbone interact. energy: -0.000 local terms energy: -20.326274 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -4.289 flat angles P-C4'-P energy: -3.221 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: 2, replica: 4 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -26.764694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.764694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.764694 (E_RNA) where: Base-Base interactions energy: -10.374 where: short stacking energy: -10.374 Base-Backbone interact. energy: -0.000 local terms energy: -16.389905 where: bonds (distance) C4'-P energy: -3.708 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.182 flat angles P-C4'-P energy: -2.006 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: 3, replica: 2 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -24.072713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.072713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.072713 (E_RNA) where: Base-Base interactions energy: -4.422 where: short stacking energy: -4.422 Base-Backbone interact. energy: -0.020 local terms energy: -19.630142 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.609 flat angles P-C4'-P energy: -3.354 tors. eta vs tors. theta energy: -2.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -27.482596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.482596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.482596 (E_RNA) where: Base-Base interactions energy: -10.283 where: short stacking energy: -10.283 Base-Backbone interact. energy: -0.000 local terms energy: -17.199829 where: bonds (distance) C4'-P energy: -3.273 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -4.467 flat angles P-C4'-P energy: -1.195 tors. eta vs tors. theta energy: -3.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -22.774620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.774620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.774620 (E_RNA) where: Base-Base interactions energy: -4.260 where: short stacking energy: -4.260 Base-Backbone interact. energy: -0.000 local terms energy: -18.515088 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -3.021 flat angles P-C4'-P energy: -3.355 tors. eta vs tors. theta energy: -2.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -24.088675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.088675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.088675 (E_RNA) where: Base-Base interactions energy: -6.234 where: short stacking energy: -6.234 Base-Backbone interact. energy: -0.000 local terms energy: -17.854370 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -2.797 flat angles P-C4'-P energy: -2.423 tors. eta vs tors. theta energy: -3.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -21.759537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.759537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.759537 (E_RNA) where: Base-Base interactions energy: -4.368 where: short stacking energy: -4.368 Base-Backbone interact. energy: -0.000 local terms energy: -17.391834 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.097 flat angles P-C4'-P energy: -2.547 tors. eta vs tors. theta energy: -2.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -23.176812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.176812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.176812 (E_RNA) where: Base-Base interactions energy: -3.823 where: short stacking energy: -3.823 Base-Backbone interact. energy: -0.149 local terms energy: -19.204858 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.441 flat angles P-C4'-P energy: -3.179 tors. eta vs tors. theta energy: -3.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -22.219464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.219464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.219464 (E_RNA) where: Base-Base interactions energy: -6.170 where: short stacking energy: -6.170 Base-Backbone interact. energy: -0.000 local terms energy: -16.049304 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -2.936 flat angles P-C4'-P energy: -1.669 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: 10 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -22.052444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.052444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.052444 (E_RNA) where: Base-Base interactions energy: -4.228 where: short stacking energy: -4.228 Base-Backbone interact. energy: -0.000 local terms energy: -17.824012 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.344 flat angles P-C4'-P energy: -3.284 tors. eta vs tors. theta energy: -0.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -27.068997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.068997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.068997 (E_RNA) where: Base-Base interactions energy: -7.655 where: short stacking energy: -7.655 Base-Backbone interact. energy: -0.095 local terms energy: -19.318832 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.731 flat angles P-C4'-P energy: -3.939 tors. eta vs tors. theta energy: -1.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -23.715345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.715345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.715345 (E_RNA) where: Base-Base interactions energy: -6.960 where: short stacking energy: -6.960 Base-Backbone interact. energy: -0.000 local terms energy: -16.755597 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -4.717 flat angles P-C4'-P energy: -1.883 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: 3, replica: 4 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -26.147547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.147547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.147547 (E_RNA) where: Base-Base interactions energy: -8.213 where: short stacking energy: -8.213 Base-Backbone interact. energy: -0.001 local terms energy: -17.934265 where: bonds (distance) C4'-P energy: -3.169 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.576 flat angles P-C4'-P energy: -1.884 tors. eta vs tors. theta energy: -2.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -24.698405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.698405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.698405 (E_RNA) where: Base-Base interactions energy: -10.059 where: short stacking energy: -10.211 Base-Backbone interact. energy: -0.000 local terms energy: -14.639596 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -0.384 flat angles P-C4'-P energy: -2.657 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: 5, replica: 7 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -24.322875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.322875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.322875 (E_RNA) where: Base-Base interactions energy: -8.181 where: short stacking energy: -8.181 Base-Backbone interact. energy: -0.000 local terms energy: -16.141468 where: bonds (distance) C4'-P energy: -3.406 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.731 flat angles P-C4'-P energy: -1.472 tors. eta vs tors. theta energy: -1.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -24.665379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.665379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.665379 (E_RNA) where: Base-Base interactions energy: -7.706 where: short stacking energy: -7.706 Base-Backbone interact. energy: -0.000 local terms energy: -16.959417 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -3.021 flat angles P-C4'-P energy: -1.711 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: 7, replica: 6 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -23.760674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.760674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.760674 (E_RNA) where: Base-Base interactions energy: -7.887 where: short stacking energy: -7.887 Base-Backbone interact. energy: -0.001 local terms energy: -15.872552 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -3.582 flat angles C4'-P-C4' energy: -4.388 flat angles P-C4'-P energy: -3.610 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: 8, replica: 3 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -19.589675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.589675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.589675 (E_RNA) where: Base-Base interactions energy: -3.857 where: short stacking energy: -3.857 Base-Backbone interact. energy: -0.006 local terms energy: -15.726150 where: bonds (distance) C4'-P energy: -2.689 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.591 flat angles P-C4'-P energy: -3.372 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: 9, replica: 1 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -23.049195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.049195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.049195 (E_RNA) where: Base-Base interactions energy: -6.106 where: short stacking energy: -6.106 Base-Backbone interact. energy: -0.000 local terms energy: -16.942814 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -4.311 flat angles C4'-P-C4' energy: -3.497 flat angles P-C4'-P energy: -3.740 tors. eta vs tors. theta energy: -1.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -21.139673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.139673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.139673 (E_RNA) where: Base-Base interactions energy: -3.997 where: short stacking energy: -3.997 Base-Backbone interact. energy: -0.001 local terms energy: -17.141033 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.196 flat angles P-C4'-P energy: -3.384 tors. eta vs tors. theta energy: -1.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -25.340980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.340980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.340980 (E_RNA) where: Base-Base interactions energy: -7.555 where: short stacking energy: -7.555 Base-Backbone interact. energy: -0.000 local terms energy: -17.785969 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.059 flat angles P-C4'-P energy: -3.541 tors. eta vs tors. theta energy: -0.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -26.456575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.456575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.456575 (E_RNA) where: Base-Base interactions energy: -8.772 where: short stacking energy: -8.772 Base-Backbone interact. energy: -0.000 local terms energy: -17.684399 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.013 flat angles P-C4'-P energy: -3.351 tors. eta vs tors. theta energy: -1.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -23.613724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.613724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.613724 (E_RNA) where: Base-Base interactions energy: -6.348 where: short stacking energy: -6.348 Base-Backbone interact. energy: -0.000 local terms energy: -17.265422 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.654 flat angles P-C4'-P energy: -1.953 tors. eta vs tors. theta energy: -2.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -23.929084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.929084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.929084 (E_RNA) where: Base-Base interactions energy: -8.027 where: short stacking energy: -8.027 Base-Backbone interact. energy: -0.007 local terms energy: -15.895999 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -2.786 flat angles P-C4'-P energy: -1.147 tors. eta vs tors. theta energy: -2.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -26.313281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.313281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.313281 (E_RNA) where: Base-Base interactions energy: -7.183 where: short stacking energy: -7.183 Base-Backbone interact. energy: -0.000 local terms energy: -19.130097 where: bonds (distance) C4'-P energy: -3.637 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.864 flat angles P-C4'-P energy: -3.815 tors. eta vs tors. theta energy: -2.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -20.434016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.434016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.434016 (E_RNA) where: Base-Base interactions energy: -4.837 where: short stacking energy: -4.837 Base-Backbone interact. energy: -0.000 local terms energy: -15.596883 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.364 flat angles P-C4'-P energy: 0.243 tors. eta vs tors. theta energy: -2.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -24.949040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.949040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.949040 (E_RNA) where: Base-Base interactions energy: -7.666 where: short stacking energy: -7.666 Base-Backbone interact. energy: -0.000 local terms energy: -17.282683 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.151 flat angles P-C4'-P energy: -2.435 tors. eta vs tors. theta energy: -2.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -24.159698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.159698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.159698 (E_RNA) where: Base-Base interactions energy: -6.157 where: short stacking energy: -6.157 Base-Backbone interact. energy: -0.014 local terms energy: -17.989232 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.211 flat angles P-C4'-P energy: -2.620 tors. eta vs tors. theta energy: -1.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -22.170054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.170054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.170054 (E_RNA) where: Base-Base interactions energy: -6.864 where: short stacking energy: -6.864 Base-Backbone interact. energy: -0.035 local terms energy: -15.270657 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.080 flat angles P-C4'-P energy: -1.311 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: 10, replica: 1 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -22.828179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.828179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.828179 (E_RNA) where: Base-Base interactions energy: -7.770 where: short stacking energy: -7.770 Base-Backbone interact. energy: -0.160 local terms energy: -14.898671 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.110 flat angles C4'-P-C4' energy: -4.500 flat angles P-C4'-P energy: -1.107 tors. eta vs tors. theta energy: -0.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -28.280967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.280967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.280967 (E_RNA) where: Base-Base interactions energy: -8.331 where: short stacking energy: -8.331 Base-Backbone interact. energy: -0.000 local terms energy: -19.949642 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -3.650 flat angles C4'-P-C4' energy: -4.731 flat angles P-C4'-P energy: -2.305 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: 8 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -31.097832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.097832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.097832 (E_RNA) where: Base-Base interactions energy: -10.796 where: short stacking energy: -10.796 Base-Backbone interact. energy: -0.000 local terms energy: -20.301355 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.118 flat angles P-C4'-P energy: -2.351 tors. eta vs tors. theta energy: -4.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -25.104073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.104073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.104073 (E_RNA) where: Base-Base interactions energy: -4.764 where: short stacking energy: -4.764 Base-Backbone interact. energy: -0.000 local terms energy: -20.340044 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -4.422 flat angles P-C4'-P energy: -3.884 tors. eta vs tors. theta energy: -3.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -21.787464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.787464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.787464 (E_RNA) where: Base-Base interactions energy: -6.410 where: short stacking energy: -6.410 Base-Backbone interact. energy: -0.000 local terms energy: -15.377008 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -3.708 flat angles C4'-P-C4' energy: -3.587 flat angles P-C4'-P energy: -2.789 tors. eta vs tors. theta energy: -0.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -24.192755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.192755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.192755 (E_RNA) where: Base-Base interactions energy: -7.417 where: short stacking energy: -7.417 Base-Backbone interact. energy: -0.066 local terms energy: -16.709716 where: bonds (distance) C4'-P energy: -3.334 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -3.979 flat angles P-C4'-P energy: -3.434 tors. eta vs tors. theta energy: -0.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -25.730293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.730293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.730293 (E_RNA) where: Base-Base interactions energy: -8.178 where: short stacking energy: -8.178 Base-Backbone interact. energy: -0.000 local terms energy: -17.552601 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.909 flat angles P-C4'-P energy: -2.187 tors. eta vs tors. theta energy: -2.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -19.640711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.640711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.640711 (E_RNA) where: Base-Base interactions energy: -3.880 where: short stacking energy: -3.880 Base-Backbone interact. energy: -0.056 local terms energy: -15.704423 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.339 flat angles P-C4'-P energy: -2.779 tors. eta vs tors. theta energy: -0.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -21.822435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.822435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.822435 (E_RNA) where: Base-Base interactions energy: -8.563 where: short stacking energy: -8.563 Base-Backbone interact. energy: -0.000 local terms energy: -13.259481 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -2.549 flat angles P-C4'-P energy: 0.517 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: 9, replica: 6 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -22.724255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.724255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.724255 (E_RNA) where: Base-Base interactions energy: -5.649 where: short stacking energy: -5.649 Base-Backbone interact. energy: -0.000 local terms energy: -17.075113 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -2.386 flat angles P-C4'-P energy: -3.542 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: 10, replica: 1 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -20.700549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.700549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.700549 (E_RNA) where: Base-Base interactions energy: -5.519 where: short stacking energy: -3.640 Base-Backbone interact. energy: -0.015 local terms energy: -15.165753 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.341 flat angles P-C4'-P energy: -2.334 tors. eta vs tors. theta energy: -0.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -25.986345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.986345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.986345 (E_RNA) where: Base-Base interactions energy: -7.797 where: short stacking energy: -7.797 Base-Backbone interact. energy: -0.000 local terms energy: -18.189115 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.203 flat angles P-C4'-P energy: -3.310 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: 2 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -28.395957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.395957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.395957 (E_RNA) where: Base-Base interactions energy: -8.487 where: short stacking energy: -8.487 Base-Backbone interact. energy: -0.000 local terms energy: -19.909071 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.370 flat angles C4'-P-C4' energy: -4.027 flat angles P-C4'-P energy: -2.887 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: 3, replica: 5 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -24.205286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.205286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.205286 (E_RNA) where: Base-Base interactions energy: -5.451 where: short stacking energy: -5.889 Base-Backbone interact. energy: -0.019 local terms energy: -18.734993 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.575 flat angles P-C4'-P energy: -3.020 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: 4, replica: 9 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -29.421511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.421511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.421511 (E_RNA) where: Base-Base interactions energy: -11.819 where: short stacking energy: -11.819 Base-Backbone interact. energy: -0.000 local terms energy: -17.602411 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.111 flat angles P-C4'-P energy: -2.143 tors. eta vs tors. theta energy: -2.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -27.251403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.251403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.251403 (E_RNA) where: Base-Base interactions energy: -7.707 where: short stacking energy: -7.707 Base-Backbone interact. energy: -0.000 local terms energy: -19.544015 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -3.103 flat angles C4'-P-C4' energy: -4.118 flat angles P-C4'-P energy: -3.825 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: 6, replica: 4 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -20.003331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.003331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.003331 (E_RNA) where: Base-Base interactions energy: -4.108 where: short stacking energy: -4.108 Base-Backbone interact. energy: -0.029 local terms energy: -15.865998 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -2.711 flat angles P-C4'-P energy: -2.872 tors. eta vs tors. theta energy: -1.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -20.084175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.084175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.084175 (E_RNA) where: Base-Base interactions energy: -6.128 where: short stacking energy: -6.128 Base-Backbone interact. energy: -0.098 local terms energy: -13.857611 where: bonds (distance) C4'-P energy: -2.820 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -1.609 flat angles P-C4'-P energy: -2.746 tors. eta vs tors. theta energy: -2.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -24.160385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.160385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.160385 (E_RNA) where: Base-Base interactions energy: -5.563 where: short stacking energy: -5.563 Base-Backbone interact. energy: -0.000 local terms energy: -18.597447 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.411 flat angles P-C4'-P energy: -2.468 tors. eta vs tors. theta energy: -2.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -19.941496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.941496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.941496 (E_RNA) where: Base-Base interactions energy: -5.077 where: short stacking energy: -5.077 Base-Backbone interact. energy: -0.000 local terms energy: -14.864205 where: bonds (distance) C4'-P energy: -4.125 bonds (distance) P-C4' energy: -4.413 flat angles C4'-P-C4' energy: -3.285 flat angles P-C4'-P energy: -1.980 tors. eta vs tors. theta energy: -1.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -19.542848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.542848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.542848 (E_RNA) where: Base-Base interactions energy: -3.354 where: short stacking energy: -3.354 Base-Backbone interact. energy: -0.002 local terms energy: -16.186414 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -3.388 flat angles P-C4'-P energy: -3.046 tors. eta vs tors. theta energy: -1.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -29.256288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.256288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.256288 (E_RNA) where: Base-Base interactions energy: -10.805 where: short stacking energy: -10.805 Base-Backbone interact. energy: -0.000 local terms energy: -18.451107 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.885 flat angles P-C4'-P energy: -2.836 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: 2, replica: 5 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -25.392770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.392770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.392770 (E_RNA) where: Base-Base interactions energy: -10.064 where: short stacking energy: -10.064 Base-Backbone interact. energy: -0.063 local terms energy: -15.265887 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -0.842 flat angles P-C4'-P energy: -3.243 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: 3, replica: 2 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -23.338376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.338376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.338376 (E_RNA) where: Base-Base interactions energy: -7.463 where: short stacking energy: -7.463 Base-Backbone interact. energy: -0.000 local terms energy: -15.875699 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -2.778 flat angles P-C4'-P energy: -2.207 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: 4, replica: 3 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -28.639875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.639875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.639875 (E_RNA) where: Base-Base interactions energy: -7.858 where: short stacking energy: -7.858 Base-Backbone interact. energy: -0.000 local terms energy: -20.781877 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -4.472 flat angles P-C4'-P energy: -3.511 tors. eta vs tors. theta energy: -4.716 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: 9 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -23.283332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.283332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.283332 (E_RNA) where: Base-Base interactions energy: -6.454 where: short stacking energy: -6.878 Base-Backbone interact. energy: -0.001 local terms energy: -16.827791 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -3.410 flat angles C4'-P-C4' energy: -4.063 flat angles P-C4'-P energy: -2.549 tors. eta vs tors. theta energy: -2.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -21.951405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.951405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.951405 (E_RNA) where: Base-Base interactions energy: -5.956 where: short stacking energy: -5.956 Base-Backbone interact. energy: -0.014 local terms energy: -15.981567 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.173 flat angles P-C4'-P energy: -3.133 tors. eta vs tors. theta energy: -0.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -24.582842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.582842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.582842 (E_RNA) where: Base-Base interactions energy: -8.472 where: short stacking energy: -8.472 Base-Backbone interact. energy: -0.000 local terms energy: -16.111295 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -1.566 flat angles C4'-P-C4' energy: -4.139 flat angles P-C4'-P energy: -2.286 tors. eta vs tors. theta energy: -3.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -20.153632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.153632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.153632 (E_RNA) where: Base-Base interactions energy: -4.333 where: short stacking energy: -4.333 Base-Backbone interact. energy: -0.019 local terms energy: -15.801375 where: bonds (distance) C4'-P energy: -2.565 bonds (distance) P-C4' energy: -3.811 flat angles C4'-P-C4' energy: -4.196 flat angles P-C4'-P energy: -2.674 tors. eta vs tors. theta energy: -2.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -22.801295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.801295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.801295 (E_RNA) where: Base-Base interactions energy: -6.304 where: short stacking energy: -6.304 Base-Backbone interact. energy: -0.000 local terms energy: -16.497280 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -3.811 flat angles C4'-P-C4' energy: -3.715 flat angles P-C4'-P energy: -3.042 tors. eta vs tors. theta energy: -1.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -24.949825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.949825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.949825 (E_RNA) where: Base-Base interactions energy: -7.347 where: short stacking energy: -7.347 Base-Backbone interact. energy: -0.000 local terms energy: -17.602566 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -2.025 flat angles C4'-P-C4' energy: -4.850 flat angles P-C4'-P energy: -3.039 tors. eta vs tors. theta energy: -4.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -29.750213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.750213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.750213 (E_RNA) where: Base-Base interactions energy: -12.434 where: short stacking energy: -12.434 Base-Backbone interact. energy: -0.000 local terms energy: -17.316515 where: bonds (distance) C4'-P energy: -3.194 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -3.494 flat angles P-C4'-P energy: -2.316 tors. eta vs tors. theta energy: -3.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -28.558703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.558703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.558703 (E_RNA) where: Base-Base interactions energy: -9.564 where: short stacking energy: -9.564 Base-Backbone interact. energy: -0.002 local terms energy: -18.992670 where: bonds (distance) C4'-P energy: -4.742 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.378 flat angles P-C4'-P energy: -3.276 tors. eta vs tors. theta energy: -1.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -31.118339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.118339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.118339 (E_RNA) where: Base-Base interactions energy: -11.382 where: short stacking energy: -11.382 Base-Backbone interact. energy: -0.000 local terms energy: -19.736048 where: bonds (distance) C4'-P energy: -4.742 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -4.211 flat angles P-C4'-P energy: -2.853 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: 4, replica: 2 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -27.460379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.460379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.460379 (E_RNA) where: Base-Base interactions energy: -7.164 where: short stacking energy: -7.164 Base-Backbone interact. energy: -0.000 local terms energy: -20.296679 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.848 flat angles P-C4'-P energy: -2.892 tors. eta vs tors. theta energy: -4.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -23.487825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.487825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.487825 (E_RNA) where: Base-Base interactions energy: -4.770 where: short stacking energy: -4.770 Base-Backbone interact. energy: -0.000 local terms energy: -18.718078 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.594 flat angles P-C4'-P energy: -2.787 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: 6, replica: 9 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -28.533773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.533773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.533773 (E_RNA) where: Base-Base interactions energy: -11.187 where: short stacking energy: -11.187 Base-Backbone interact. energy: -0.000 local terms energy: -17.346656 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.909 flat angles P-C4'-P energy: -1.745 tors. eta vs tors. theta energy: -2.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -23.174292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.174292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.174292 (E_RNA) where: Base-Base interactions energy: -7.618 where: short stacking energy: -7.618 Base-Backbone interact. energy: -0.000 local terms energy: -15.555811 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.312 flat angles P-C4'-P energy: -1.973 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: 8, replica: 4 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -21.357413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.357413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.357413 (E_RNA) where: Base-Base interactions energy: -4.129 where: short stacking energy: -4.129 Base-Backbone interact. energy: -0.000 local terms energy: -17.228481 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -4.343 flat angles C4'-P-C4' energy: -4.031 flat angles P-C4'-P energy: -3.150 tors. eta vs tors. theta energy: -1.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -21.801551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.801551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.801551 (E_RNA) where: Base-Base interactions energy: -4.868 where: short stacking energy: -4.868 Base-Backbone interact. energy: -0.000 local terms energy: -16.933896 where: bonds (distance) C4'-P energy: -2.626 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.518 flat angles P-C4'-P energy: -3.131 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: 10, replica: 7 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -20.745155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.745155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.745155 (E_RNA) where: Base-Base interactions energy: -3.557 where: short stacking energy: -3.557 Base-Backbone interact. energy: -0.000 local terms energy: -17.187681 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.051 flat angles C4'-P-C4' energy: -4.030 flat angles P-C4'-P energy: -2.734 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: 1, replica: 8 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -29.447042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.447042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.447042 (E_RNA) where: Base-Base interactions energy: -10.387 where: short stacking energy: -10.387 Base-Backbone interact. energy: -0.004 local terms energy: -19.055815 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.846 flat angles C4'-P-C4' energy: -3.902 flat angles P-C4'-P energy: -3.311 tors. eta vs tors. theta energy: -2.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -30.227344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.227344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.227344 (E_RNA) where: Base-Base interactions energy: -9.717 where: short stacking energy: -9.717 Base-Backbone interact. energy: -0.000 local terms energy: -20.510361 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -3.613 flat angles C4'-P-C4' energy: -3.519 flat angles P-C4'-P energy: -3.928 tors. eta vs tors. theta energy: -4.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -23.593114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.593114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.593114 (E_RNA) where: Base-Base interactions energy: -6.519 where: short stacking energy: -6.519 Base-Backbone interact. energy: -0.000 local terms energy: -17.074344 where: bonds (distance) C4'-P energy: -3.185 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.135 flat angles P-C4'-P energy: -3.632 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: 10 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -24.463617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.463617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.463617 (E_RNA) where: Base-Base interactions energy: -8.013 where: short stacking energy: -8.013 Base-Backbone interact. energy: -0.005 local terms energy: -16.445269 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.112 flat angles P-C4'-P energy: -3.701 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: 5, replica: 2 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -21.664010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.664010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.664010 (E_RNA) where: Base-Base interactions energy: -7.309 where: short stacking energy: -7.309 Base-Backbone interact. energy: 0.097 local terms energy: -14.452409 where: bonds (distance) C4'-P energy: -3.406 bonds (distance) P-C4' energy: -4.106 flat angles C4'-P-C4' energy: -4.530 flat angles P-C4'-P energy: -2.633 tors. eta vs tors. theta energy: 0.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -26.762488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.762488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.762488 (E_RNA) where: Base-Base interactions energy: -11.075 where: short stacking energy: -11.075 Base-Backbone interact. energy: -0.002 local terms energy: -15.685769 where: bonds (distance) C4'-P energy: -2.415 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.586 flat angles P-C4'-P energy: -2.069 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: 7, replica: 9 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -22.116079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.116079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.116079 (E_RNA) where: Base-Base interactions energy: -3.687 where: short stacking energy: -3.687 Base-Backbone interact. energy: -0.000 local terms energy: -18.429239 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.945 flat angles P-C4'-P energy: -3.453 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: 8, replica: 6 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -26.406194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.406194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.406194 (E_RNA) where: Base-Base interactions energy: -11.285 where: short stacking energy: -11.285 Base-Backbone interact. energy: -0.004 local terms energy: -15.116456 where: bonds (distance) C4'-P energy: -1.320 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -4.460 flat angles P-C4'-P energy: -2.457 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: 9, replica: 4 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -20.770783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.770783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.770783 (E_RNA) where: Base-Base interactions energy: -3.912 where: short stacking energy: -3.912 Base-Backbone interact. energy: -0.000 local terms energy: -16.858281 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.613 flat angles P-C4'-P energy: -3.170 tors. eta vs tors. theta energy: -0.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -21.964810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.964810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.964810 (E_RNA) where: Base-Base interactions energy: -6.427 where: short stacking energy: -6.427 Base-Backbone interact. energy: -0.002 local terms energy: -15.536058 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.379 flat angles P-C4'-P energy: -1.134 tors. eta vs tors. theta energy: -0.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -27.465772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.465772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.465772 (E_RNA) where: Base-Base interactions energy: -10.009 where: short stacking energy: -10.009 Base-Backbone interact. energy: -0.000 local terms energy: -17.457018 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -2.487 flat angles P-C4'-P energy: -2.436 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: 8 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -26.438370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.438370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.438370 (E_RNA) where: Base-Base interactions energy: -9.564 where: short stacking energy: -9.564 Base-Backbone interact. energy: -0.010 local terms energy: -16.864833 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.283 flat angles P-C4'-P energy: -1.842 tors. eta vs tors. theta energy: -2.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -28.917399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.917399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.917399 (E_RNA) where: Base-Base interactions energy: -10.492 where: short stacking energy: -10.492 Base-Backbone interact. energy: -0.000 local terms energy: -18.425661 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -4.731 flat angles P-C4'-P energy: -1.559 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: 4, replica: 5 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -27.722673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.722673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.722673 (E_RNA) where: Base-Base interactions energy: -8.410 where: short stacking energy: -8.410 Base-Backbone interact. energy: -0.000 local terms energy: -19.312488 where: bonds (distance) C4'-P energy: -2.138 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.346 flat angles P-C4'-P energy: -3.185 tors. eta vs tors. theta energy: -4.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -26.893029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.893029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.893029 (E_RNA) where: Base-Base interactions energy: -7.938 where: short stacking energy: -7.938 Base-Backbone interact. energy: -0.000 local terms energy: -18.955000 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.587 flat angles P-C4'-P energy: -2.421 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: 6, replica: 2 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -23.576240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.576240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.576240 (E_RNA) where: Base-Base interactions energy: -6.511 where: short stacking energy: -6.511 Base-Backbone interact. energy: -0.001 local terms energy: -17.064922 where: bonds (distance) C4'-P energy: -3.861 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.993 flat angles P-C4'-P energy: -3.281 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: 7, replica: 6 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -21.008436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.008436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.008436 (E_RNA) where: Base-Base interactions energy: -3.799 where: short stacking energy: -3.799 Base-Backbone interact. energy: -0.064 local terms energy: -17.145039 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.539 flat angles P-C4'-P energy: -3.111 tors. eta vs tors. theta energy: -0.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -22.549741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.549741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.549741 (E_RNA) where: Base-Base interactions energy: -5.489 where: short stacking energy: -4.172 Base-Backbone interact. energy: -0.000 local terms energy: -17.060752 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.104 flat angles P-C4'-P energy: -1.798 tors. eta vs tors. theta energy: -1.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -26.272155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.272155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.272155 (E_RNA) where: Base-Base interactions energy: -11.840 where: short stacking energy: -11.840 Base-Backbone interact. energy: -0.000 local terms energy: -14.431802 where: bonds (distance) C4'-P energy: -2.316 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -3.848 flat angles P-C4'-P energy: -1.337 tors. eta vs tors. theta energy: -2.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -20.645766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.645766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.645766 (E_RNA) where: Base-Base interactions energy: -4.220 where: short stacking energy: -4.220 Base-Backbone interact. energy: -0.000 local terms energy: -16.425762 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.534 flat angles P-C4'-P energy: -3.167 tors. eta vs tors. theta energy: 0.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -29.314453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.314453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.314453 (E_RNA) where: Base-Base interactions energy: -11.746 where: short stacking energy: -11.746 Base-Backbone interact. energy: -0.007 local terms energy: -17.562091 where: bonds (distance) C4'-P energy: -4.427 bonds (distance) P-C4' energy: -2.740 flat angles C4'-P-C4' energy: -3.954 flat angles P-C4'-P energy: -3.673 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: 2, replica: 10 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -28.733052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.733052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.733052 (E_RNA) where: Base-Base interactions energy: -9.878 where: short stacking energy: -9.878 Base-Backbone interact. energy: -0.000 local terms energy: -18.854663 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -3.539 flat angles P-C4'-P energy: -3.139 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: 3, replica: 8 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -26.895922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.895922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.895922 (E_RNA) where: Base-Base interactions energy: -10.484 where: short stacking energy: -10.484 Base-Backbone interact. energy: -0.018 local terms energy: -16.394360 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -2.870 flat angles C4'-P-C4' energy: -3.635 flat angles P-C4'-P energy: -2.142 tors. eta vs tors. theta energy: -3.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -23.608612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.608612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.608612 (E_RNA) where: Base-Base interactions energy: -8.070 where: short stacking energy: -8.070 Base-Backbone interact. energy: -0.085 local terms energy: -15.453496 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -3.730 flat angles C4'-P-C4' energy: -3.100 flat angles P-C4'-P energy: -2.037 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: 5, replica: 1 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -26.858460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.858460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.858460 (E_RNA) where: Base-Base interactions energy: -10.305 where: short stacking energy: -10.305 Base-Backbone interact. energy: -0.000 local terms energy: -16.552958 where: bonds (distance) C4'-P energy: -3.104 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -3.999 flat angles P-C4'-P energy: -1.998 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: 6 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -24.069056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.069056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.069056 (E_RNA) where: Base-Base interactions energy: -9.938 where: short stacking energy: -9.938 Base-Backbone interact. energy: -0.003 local terms energy: -14.128155 where: bonds (distance) C4'-P energy: -2.626 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -0.978 flat angles P-C4'-P energy: -3.037 tors. eta vs tors. theta energy: -2.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -22.496138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.496138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.496138 (E_RNA) where: Base-Base interactions energy: -6.939 where: short stacking energy: -7.245 Base-Backbone interact. energy: -0.000 local terms energy: -15.557519 where: bonds (distance) C4'-P energy: -3.070 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.664 flat angles P-C4'-P energy: -3.155 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: 8, replica: 7 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -19.367010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.367010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.367010 (E_RNA) where: Base-Base interactions energy: -3.744 where: short stacking energy: -3.744 Base-Backbone interact. energy: -0.006 local terms energy: -15.616701 where: bonds (distance) C4'-P energy: -3.161 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.640 flat angles P-C4'-P energy: -3.007 tors. eta vs tors. theta energy: -0.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -25.986317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.986317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.986317 (E_RNA) where: Base-Base interactions energy: -11.055 where: short stacking energy: -11.055 Base-Backbone interact. energy: -0.004 local terms energy: -14.926977 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -3.809 flat angles P-C4'-P energy: -3.319 tors. eta vs tors. theta energy: 0.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -21.624528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.624528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.624528 (E_RNA) where: Base-Base interactions energy: -4.177 where: short stacking energy: -4.177 Base-Backbone interact. energy: -0.000 local terms energy: -17.447033 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.029 flat angles P-C4'-P energy: -2.553 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: 1, replica: 10 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -25.641996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.641996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.641996 (E_RNA) where: Base-Base interactions energy: -9.956 where: short stacking energy: -9.956 Base-Backbone interact. energy: -0.001 local terms energy: -15.685374 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -3.674 flat angles P-C4'-P energy: -2.465 tors. eta vs tors. theta energy: -0.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -25.539571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.539571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.539571 (E_RNA) where: Base-Base interactions energy: -8.112 where: short stacking energy: -8.112 Base-Backbone interact. energy: -0.071 local terms energy: -17.356144 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -2.974 flat angles P-C4'-P energy: -3.739 tors. eta vs tors. theta energy: -1.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -27.788310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.788310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.788310 (E_RNA) where: Base-Base interactions energy: -10.838 where: short stacking energy: -10.838 Base-Backbone interact. energy: -0.005 local terms energy: -16.945419 where: bonds (distance) C4'-P energy: -2.920 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -1.934 flat angles P-C4'-P energy: -4.049 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: 8 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -25.549903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.549903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.549903 (E_RNA) where: Base-Base interactions energy: -7.486 where: short stacking energy: -7.486 Base-Backbone interact. energy: -0.000 local terms energy: -18.064158 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -3.786 flat angles C4'-P-C4' energy: -4.203 flat angles P-C4'-P energy: -3.376 tors. eta vs tors. theta energy: -3.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -23.669654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.669654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.669654 (E_RNA) where: Base-Base interactions energy: -4.256 where: short stacking energy: -4.256 Base-Backbone interact. energy: -0.000 local terms energy: -19.413697 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.028 flat angles P-C4'-P energy: -3.813 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: 6, replica: 1 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -25.610786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.610786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.610786 (E_RNA) where: Base-Base interactions energy: -8.530 where: short stacking energy: -8.530 Base-Backbone interact. energy: -0.024 local terms energy: -17.056982 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.032 flat angles P-C4'-P energy: -1.482 tors. eta vs tors. theta energy: -2.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -21.834046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.834046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.834046 (E_RNA) where: Base-Base interactions energy: -8.581 where: short stacking energy: -8.581 Base-Backbone interact. energy: -0.006 local terms energy: -13.247760 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -3.811 flat angles C4'-P-C4' energy: -4.350 flat angles P-C4'-P energy: -2.010 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: 2 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -24.592084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.592084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.592084 (E_RNA) where: Base-Base interactions energy: -6.305 where: short stacking energy: -6.305 Base-Backbone interact. energy: -0.000 local terms energy: -18.287139 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -4.345 flat angles P-C4'-P energy: -3.044 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: 4 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -24.987827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.987827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.987827 (E_RNA) where: Base-Base interactions energy: -7.634 where: short stacking energy: -7.634 Base-Backbone interact. energy: -0.000 local terms energy: -17.353346 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -2.766 flat angles P-C4'-P energy: -3.559 tors. eta vs tors. theta energy: -2.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -23.266079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.266079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.266079 (E_RNA) where: Base-Base interactions energy: -7.967 where: short stacking energy: -7.967 Base-Backbone interact. energy: -0.000 local terms energy: -15.298654 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -2.315 flat angles P-C4'-P energy: -2.569 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: 1, replica: 10 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -29.636378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.636378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.636378 (E_RNA) where: Base-Base interactions energy: -12.061 where: short stacking energy: -12.061 Base-Backbone interact. energy: -0.002 local terms energy: -17.572537 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.323 flat angles P-C4'-P energy: -3.259 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: 2, replica: 5 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -27.126451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.126451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.126451 (E_RNA) where: Base-Base interactions energy: -8.273 where: short stacking energy: -8.273 Base-Backbone interact. energy: -0.000 local terms energy: -18.853938 where: bonds (distance) C4'-P energy: -3.194 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.012 flat angles P-C4'-P energy: -2.848 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: 3, replica: 3 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -28.942203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.942203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.942203 (E_RNA) where: Base-Base interactions energy: -10.005 where: short stacking energy: -10.005 Base-Backbone interact. energy: -0.000 local terms energy: -18.937211 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.043 flat angles P-C4'-P energy: -1.462 tors. eta vs tors. theta energy: -4.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -26.497443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.497443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.497443 (E_RNA) where: Base-Base interactions energy: -9.190 where: short stacking energy: -9.190 Base-Backbone interact. energy: -0.000 local terms energy: -17.307916 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.398 flat angles P-C4'-P energy: -0.082 tors. eta vs tors. theta energy: -4.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -26.638156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.638156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.638156 (E_RNA) where: Base-Base interactions energy: -11.380 where: short stacking energy: -11.380 Base-Backbone interact. energy: -0.000 local terms energy: -15.257716 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -0.999 flat angles P-C4'-P energy: -2.555 tors. eta vs tors. theta energy: -2.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -21.544252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.544252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.544252 (E_RNA) where: Base-Base interactions energy: -3.638 where: short stacking energy: -3.638 Base-Backbone interact. energy: -0.022 local terms energy: -17.883521 where: bonds (distance) C4'-P energy: -2.307 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.604 flat angles P-C4'-P energy: -3.161 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: 7, replica: 1 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -23.108226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.108226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.108226 (E_RNA) where: Base-Base interactions energy: -4.680 where: short stacking energy: -4.680 Base-Backbone interact. energy: -0.000 local terms energy: -18.428361 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.451 flat angles P-C4'-P energy: -3.490 tors. eta vs tors. theta energy: -2.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -23.191998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.191998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.191998 (E_RNA) where: Base-Base interactions energy: -7.902 where: short stacking energy: -7.902 Base-Backbone interact. energy: -0.005 local terms energy: -15.285847 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.658 flat angles C4'-P-C4' energy: -3.523 flat angles P-C4'-P energy: -3.089 tors. eta vs tors. theta energy: -0.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -20.605542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.605542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.605542 (E_RNA) where: Base-Base interactions energy: -4.281 where: short stacking energy: -4.281 Base-Backbone interact. energy: -0.008 local terms energy: -16.316716 where: bonds (distance) C4'-P energy: -4.643 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.044 flat angles P-C4'-P energy: -3.491 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: 9 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -18.859759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.859759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.859759 (E_RNA) where: Base-Base interactions energy: -4.213 where: short stacking energy: -4.213 Base-Backbone interact. energy: -0.123 local terms energy: -14.523415 where: bonds (distance) C4'-P energy: -3.575 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.171 flat angles P-C4'-P energy: -2.363 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: 1, replica: 5 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -29.089137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.089137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.089137 (E_RNA) where: Base-Base interactions energy: -11.781 where: short stacking energy: -11.781 Base-Backbone interact. energy: -0.000 local terms energy: -17.308269 where: bonds (distance) C4'-P energy: -3.070 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -3.138 flat angles P-C4'-P energy: -3.085 tors. eta vs tors. theta energy: -3.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -28.066119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.066119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.066119 (E_RNA) where: Base-Base interactions energy: -8.231 where: short stacking energy: -8.231 Base-Backbone interact. energy: -0.000 local terms energy: -19.834835 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.958 flat angles P-C4'-P energy: -3.314 tors. eta vs tors. theta energy: -3.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -29.960461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.960461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.960461 (E_RNA) where: Base-Base interactions energy: -8.081 where: short stacking energy: -8.081 Base-Backbone interact. energy: -0.000 local terms energy: -21.879939 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.697 flat angles P-C4'-P energy: -3.587 tors. eta vs tors. theta energy: -4.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -25.085202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.085202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.085202 (E_RNA) where: Base-Base interactions energy: -6.823 where: short stacking energy: -6.823 Base-Backbone interact. energy: -0.000 local terms energy: -18.262394 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -3.818 flat angles C4'-P-C4' energy: -4.103 flat angles P-C4'-P energy: -3.031 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: 5, replica: 8 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -27.823953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.823953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.823953 (E_RNA) where: Base-Base interactions energy: -7.570 where: short stacking energy: -7.570 Base-Backbone interact. energy: -0.000 local terms energy: -20.254190 where: bonds (distance) C4'-P energy: -3.479 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.143 flat angles P-C4'-P energy: -3.918 tors. eta vs tors. theta energy: -3.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -25.371767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.371767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.371767 (E_RNA) where: Base-Base interactions energy: -6.791 where: short stacking energy: -6.791 Base-Backbone interact. energy: -0.907 local terms energy: -17.673056 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.679 flat angles P-C4'-P energy: -3.491 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: 4 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -22.411509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.411509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.411509 (E_RNA) where: Base-Base interactions energy: -5.857 where: short stacking energy: -5.857 Base-Backbone interact. energy: -0.000 local terms energy: -16.554193 where: bonds (distance) C4'-P energy: -3.389 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.466 flat angles P-C4'-P energy: -2.207 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: 1 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -24.979891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.979891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.979891 (E_RNA) where: Base-Base interactions energy: -7.735 where: short stacking energy: -7.735 Base-Backbone interact. energy: -0.092 local terms energy: -17.152244 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -3.149 flat angles C4'-P-C4' energy: -4.026 flat angles P-C4'-P energy: -3.559 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: 9 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -19.332056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.332056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.332056 (E_RNA) where: Base-Base interactions energy: -4.454 where: short stacking energy: -4.454 Base-Backbone interact. energy: -0.052 local terms energy: -14.826363 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -3.239 flat angles P-C4'-P energy: -3.082 tors. eta vs tors. theta energy: -0.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -21.435533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.435533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.435533 (E_RNA) where: Base-Base interactions energy: -6.901 where: short stacking energy: -6.901 Base-Backbone interact. energy: -0.004 local terms energy: -14.530065 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.326 flat angles P-C4'-P energy: -0.041 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: 1, replica: 5 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -34.433554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.433554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.433554 (E_RNA) where: Base-Base interactions energy: -12.255 where: short stacking energy: -12.255 Base-Backbone interact. energy: -0.000 local terms energy: -22.178128 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -4.395 flat angles C4'-P-C4' energy: -4.345 flat angles P-C4'-P energy: -3.796 tors. eta vs tors. theta energy: -5.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -29.826037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.826037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.826037 (E_RNA) where: Base-Base interactions energy: -10.678 where: short stacking energy: -10.678 Base-Backbone interact. energy: -0.000 local terms energy: -19.147639 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -4.318 flat angles C4'-P-C4' energy: -2.661 flat angles P-C4'-P energy: -3.240 tors. eta vs tors. theta energy: -5.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -26.275647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.275647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.275647 (E_RNA) where: Base-Base interactions energy: -7.097 where: short stacking energy: -7.097 Base-Backbone interact. energy: -0.000 local terms energy: -19.178755 where: bonds (distance) C4'-P energy: -3.637 bonds (distance) P-C4' energy: -4.413 flat angles C4'-P-C4' energy: -4.114 flat angles P-C4'-P energy: -3.056 tors. eta vs tors. theta energy: -3.959 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: 4, replica: 8 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -26.203475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.203475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.203475 (E_RNA) where: Base-Base interactions energy: -7.463 where: short stacking energy: -7.463 Base-Backbone interact. energy: -0.030 local terms energy: -18.710767 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.220 flat angles P-C4'-P energy: -2.733 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: 5, replica: 3 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -26.529041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.529041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.529041 (E_RNA) where: Base-Base interactions energy: -6.943 where: short stacking energy: -6.943 Base-Backbone interact. energy: -0.000 local terms energy: -19.585948 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -4.500 flat angles P-C4'-P energy: -3.758 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: 6, replica: 4 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -23.271793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.271793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.271793 (E_RNA) where: Base-Base interactions energy: -6.571 where: short stacking energy: -6.571 Base-Backbone interact. energy: -0.000 local terms energy: -16.700803 where: bonds (distance) C4'-P energy: -2.581 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -3.064 flat angles P-C4'-P energy: -3.740 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: 7, replica: 7 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -25.183840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.183840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.183840 (E_RNA) where: Base-Base interactions energy: -8.895 where: short stacking energy: -7.063 Base-Backbone interact. energy: -0.333 local terms energy: -15.955999 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.116 flat angles P-C4'-P energy: -1.516 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: 9 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -20.189125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.189125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.189125 (E_RNA) where: Base-Base interactions energy: -3.063 where: short stacking energy: -3.063 Base-Backbone interact. energy: -0.000 local terms energy: -17.125745 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -4.205 flat angles C4'-P-C4' energy: -4.227 flat angles P-C4'-P energy: -3.969 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: 1 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -20.766405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.766405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.766405 (E_RNA) where: Base-Base interactions energy: -3.272 where: short stacking energy: -3.272 Base-Backbone interact. energy: -0.000 local terms energy: -17.494703 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.820 flat angles P-C4'-P energy: -2.336 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: 2 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -19.974085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.974085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.974085 (E_RNA) where: Base-Base interactions energy: -3.861 where: short stacking energy: -3.861 Base-Backbone interact. energy: -0.000 local terms energy: -16.112725 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.224 flat angles P-C4'-P energy: -2.635 tors. eta vs tors. theta energy: -0.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -28.692395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.692395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.692395 (E_RNA) where: Base-Base interactions energy: -8.285 where: short stacking energy: -8.285 Base-Backbone interact. energy: -0.000 local terms energy: -20.407114 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.869 flat angles P-C4'-P energy: -3.804 tors. eta vs tors. theta energy: -2.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -24.310986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.310986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.310986 (E_RNA) where: Base-Base interactions energy: -6.860 where: short stacking energy: -6.860 Base-Backbone interact. energy: -0.000 local terms energy: -17.451173 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.428 flat angles P-C4'-P energy: -2.702 tors. eta vs tors. theta energy: -1.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -25.816922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.816922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.816922 (E_RNA) where: Base-Base interactions energy: -7.825 where: short stacking energy: -7.825 Base-Backbone interact. energy: -0.841 local terms energy: -17.150721 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.016 flat angles P-C4'-P energy: -2.817 tors. eta vs tors. theta energy: -1.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -25.299923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.299923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.299923 (E_RNA) where: Base-Base interactions energy: -8.199 where: short stacking energy: -8.199 Base-Backbone interact. energy: -0.019 local terms energy: -17.082773 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.626 flat angles P-C4'-P energy: -3.638 tors. eta vs tors. theta energy: 0.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -24.983388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.983388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.983388 (E_RNA) where: Base-Base interactions energy: -7.265 where: short stacking energy: -7.265 Base-Backbone interact. energy: -0.000 local terms energy: -17.718782 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.275 flat angles P-C4'-P energy: -3.594 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: 6, replica: 3 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -21.530786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.530786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.530786 (E_RNA) where: Base-Base interactions energy: -7.381 where: short stacking energy: -7.381 Base-Backbone interact. energy: -0.001 local terms energy: -14.149061 where: bonds (distance) C4'-P energy: -3.194 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -2.347 flat angles P-C4'-P energy: -2.011 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: 7, replica: 9 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -21.391504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.391504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.391504 (E_RNA) where: Base-Base interactions energy: -5.738 where: short stacking energy: -5.738 Base-Backbone interact. energy: -0.001 local terms energy: -15.652029 where: bonds (distance) C4'-P energy: -2.796 bonds (distance) P-C4' energy: -4.413 flat angles C4'-P-C4' energy: -3.397 flat angles P-C4'-P energy: -2.874 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: 8, replica: 7 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -22.302155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.302155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.302155 (E_RNA) where: Base-Base interactions energy: -4.587 where: short stacking energy: -4.587 Base-Backbone interact. energy: -0.000 local terms energy: -17.715010 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.827 flat angles P-C4'-P energy: -2.302 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: 9, replica: 2 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -21.133232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.133232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.133232 (E_RNA) where: Base-Base interactions energy: -7.471 where: short stacking energy: -7.471 Base-Backbone interact. energy: -0.060 local terms energy: -13.602771 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.262 flat angles P-C4'-P energy: -2.050 tors. eta vs tors. theta energy: -0.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -22.122327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.122327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.122327 (E_RNA) where: Base-Base interactions energy: -5.804 where: short stacking energy: -5.804 Base-Backbone interact. energy: -0.000 local terms energy: -16.318614 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.113 flat angles P-C4'-P energy: -2.197 tors. eta vs tors. theta energy: -1.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -31.206098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.206098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.206098 (E_RNA) where: Base-Base interactions energy: -11.178 where: short stacking energy: -11.178 Base-Backbone interact. energy: -0.000 local terms energy: -20.028095 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -4.698 flat angles P-C4'-P energy: -2.540 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: 2, replica: 5 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -28.210026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.210026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.210026 (E_RNA) where: Base-Base interactions energy: -9.751 where: short stacking energy: -9.751 Base-Backbone interact. energy: -0.001 local terms energy: -18.458795 where: bonds (distance) C4'-P energy: -1.579 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.648 flat angles P-C4'-P energy: -3.277 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: 3, replica: 8 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -24.704368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.704368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.704368 (E_RNA) where: Base-Base interactions energy: -7.470 where: short stacking energy: -7.470 Base-Backbone interact. energy: -0.000 local terms energy: -17.234129 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.239 flat angles P-C4'-P energy: -2.256 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: 4, replica: 4 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -26.796573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.796573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.796573 (E_RNA) where: Base-Base interactions energy: -9.050 where: short stacking energy: -9.050 Base-Backbone interact. energy: -0.001 local terms energy: -17.745526 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.449 flat angles P-C4'-P energy: -2.935 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: 5, replica: 10 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -26.861110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.861110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.861110 (E_RNA) where: Base-Base interactions energy: -7.566 where: short stacking energy: -7.566 Base-Backbone interact. energy: -0.098 local terms energy: -19.196932 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.786 flat angles P-C4'-P energy: -3.574 tors. eta vs tors. theta energy: -1.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -22.923613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.923613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.923613 (E_RNA) where: Base-Base interactions energy: -8.067 where: short stacking energy: -8.067 Base-Backbone interact. energy: -0.000 local terms energy: -14.856789 where: bonds (distance) C4'-P energy: -2.804 bonds (distance) P-C4' energy: -2.456 flat angles C4'-P-C4' energy: -4.009 flat angles P-C4'-P energy: -2.779 tors. eta vs tors. theta energy: -2.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -24.436034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.436034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.436034 (E_RNA) where: Base-Base interactions energy: -5.878 where: short stacking energy: -5.878 Base-Backbone interact. energy: -0.010 local terms energy: -18.548537 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.326 flat angles P-C4'-P energy: -2.418 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: 8, replica: 2 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -19.724104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.724104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.724104 (E_RNA) where: Base-Base interactions energy: -6.704 where: short stacking energy: -6.704 Base-Backbone interact. energy: -0.000 local terms energy: -13.020301 where: bonds (distance) C4'-P energy: -2.788 bonds (distance) P-C4' energy: -2.414 flat angles C4'-P-C4' energy: -4.633 flat angles P-C4'-P energy: -1.956 tors. eta vs tors. theta energy: -1.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -25.543842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.543842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.543842 (E_RNA) where: Base-Base interactions energy: -6.171 where: short stacking energy: -6.171 Base-Backbone interact. energy: -0.000 local terms energy: -19.372648 where: bonds (distance) C4'-P energy: -3.947 bonds (distance) P-C4' energy: -4.413 flat angles C4'-P-C4' energy: -3.658 flat angles P-C4'-P energy: -2.782 tors. eta vs tors. theta energy: -4.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -24.918372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.918372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.918372 (E_RNA) where: Base-Base interactions energy: -6.998 where: short stacking energy: -6.998 Base-Backbone interact. energy: -0.000 local terms energy: -17.919992 where: bonds (distance) C4'-P energy: -2.217 bonds (distance) P-C4' energy: -4.343 flat angles C4'-P-C4' energy: -4.571 flat angles P-C4'-P energy: -2.185 tors. eta vs tors. theta energy: -4.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -31.864662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.864662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.864662 (E_RNA) where: Base-Base interactions energy: -12.495 where: short stacking energy: -12.495 Base-Backbone interact. energy: -0.029 local terms energy: -19.339832 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -3.981 flat angles C4'-P-C4' energy: -4.290 flat angles P-C4'-P energy: -3.655 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: 6 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -26.785198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.785198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.785198 (E_RNA) where: Base-Base interactions energy: -8.377 where: short stacking energy: -8.377 Base-Backbone interact. energy: -0.001 local terms energy: -18.407031 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.312 flat angles P-C4'-P energy: -3.170 tors. eta vs tors. theta energy: -1.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -25.179004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.179004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.179004 (E_RNA) where: Base-Base interactions energy: -7.774 where: short stacking energy: -7.774 Base-Backbone interact. energy: -0.000 local terms energy: -17.404352 where: bonds (distance) C4'-P energy: -3.070 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.394 flat angles P-C4'-P energy: -3.466 tors. eta vs tors. theta energy: -1.124 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: 8 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -22.669237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.669237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.669237 (E_RNA) where: Base-Base interactions energy: -5.631 where: short stacking energy: -5.631 Base-Backbone interact. energy: -0.031 local terms energy: -17.007550 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.102 flat angles P-C4'-P energy: -3.021 tors. eta vs tors. theta energy: -0.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -23.836917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.836917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.836917 (E_RNA) where: Base-Base interactions energy: -6.899 where: short stacking energy: -6.899 Base-Backbone interact. energy: -0.000 local terms energy: -16.937836 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -2.949 flat angles P-C4'-P energy: -2.893 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: 6, replica: 10 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -24.528296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.528296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.528296 (E_RNA) where: Base-Base interactions energy: -8.777 where: short stacking energy: -8.777 Base-Backbone interact. energy: -0.000 local terms energy: -15.751309 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -4.103 flat angles C4'-P-C4' energy: -3.537 flat angles P-C4'-P energy: -1.608 tors. eta vs tors. theta energy: -2.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -19.150094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.150094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.150094 (E_RNA) where: Base-Base interactions energy: -3.825 where: short stacking energy: -3.825 Base-Backbone interact. energy: -0.001 local terms energy: -15.324160 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.057 flat angles C4'-P-C4' energy: -4.223 flat angles P-C4'-P energy: -3.721 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: 8, replica: 3 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -22.062772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.062772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.062772 (E_RNA) where: Base-Base interactions energy: -4.264 where: short stacking energy: -4.264 Base-Backbone interact. energy: -0.000 local terms energy: -17.799159 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -3.768 flat angles P-C4'-P energy: -3.125 tors. eta vs tors. theta energy: -2.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -23.273670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.273670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.273670 (E_RNA) where: Base-Base interactions energy: -6.145 where: short stacking energy: -6.145 Base-Backbone interact. energy: -0.000 local terms energy: -17.128408 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -4.294 flat angles P-C4'-P energy: -2.534 tors. eta vs tors. theta energy: -2.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -21.261037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.261037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.261037 (E_RNA) where: Base-Base interactions energy: -5.685 where: short stacking energy: -5.685 Base-Backbone interact. energy: -0.001 local terms energy: -15.574184 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.618 flat angles P-C4'-P energy: -2.294 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: 1, replica: 5 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -29.916071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.916071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.916071 (E_RNA) where: Base-Base interactions energy: -10.775 where: short stacking energy: -10.775 Base-Backbone interact. energy: -0.000 local terms energy: -19.141554 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -4.345 flat angles P-C4'-P energy: -2.553 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: 2, replica: 6 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -25.412786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.412786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.412786 (E_RNA) where: Base-Base interactions energy: -10.895 where: short stacking energy: -10.895 Base-Backbone interact. energy: -0.002 local terms energy: -14.515660 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -3.582 flat angles C4'-P-C4' energy: -3.537 flat angles P-C4'-P energy: -2.225 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: 3, replica: 4 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -26.725434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.725434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.725434 (E_RNA) where: Base-Base interactions energy: -8.176 where: short stacking energy: -8.176 Base-Backbone interact. energy: -0.000 local terms energy: -18.548959 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -4.413 flat angles P-C4'-P energy: -3.484 tors. eta vs tors. theta energy: -1.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -24.534661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.534661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.534661 (E_RNA) where: Base-Base interactions energy: -7.465 where: short stacking energy: -7.465 Base-Backbone interact. energy: -0.001 local terms energy: -17.068112 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -3.748 flat angles C4'-P-C4' energy: -4.576 flat angles P-C4'-P energy: -3.136 tors. eta vs tors. theta energy: -2.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -20.859048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.859048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.859048 (E_RNA) where: Base-Base interactions energy: -8.055 where: short stacking energy: -8.055 Base-Backbone interact. energy: -0.000 local terms energy: -12.804238 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -4.557 flat angles P-C4'-P energy: -2.025 tors. eta vs tors. theta energy: 1.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -21.547490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.547490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.547490 (E_RNA) where: Base-Base interactions energy: -7.872 where: short stacking energy: -7.872 Base-Backbone interact. energy: -0.000 local terms energy: -13.675169 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -4.036 flat angles P-C4'-P energy: -0.036 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: 7, replica: 10 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -24.471550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.471550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.471550 (E_RNA) where: Base-Base interactions energy: -7.910 where: short stacking energy: -8.510 Base-Backbone interact. energy: -0.085 local terms energy: -16.476160 where: bonds (distance) C4'-P energy: -3.566 bonds (distance) P-C4' energy: -4.311 flat angles C4'-P-C4' energy: -2.991 flat angles P-C4'-P energy: -4.025 tors. eta vs tors. theta energy: -1.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -24.251497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.251497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.251497 (E_RNA) where: Base-Base interactions energy: -6.460 where: short stacking energy: -6.460 Base-Backbone interact. energy: -0.000 local terms energy: -17.791686 where: bonds (distance) C4'-P energy: -2.859 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.681 flat angles P-C4'-P energy: -1.643 tors. eta vs tors. theta energy: -4.258 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: 3 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -18.559765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.559765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.559765 (E_RNA) where: Base-Base interactions energy: -4.665 where: short stacking energy: -4.665 Base-Backbone interact. energy: -0.000 local terms energy: -13.894250 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.582 flat angles C4'-P-C4' energy: -2.559 flat angles P-C4'-P energy: -2.243 tors. eta vs tors. theta energy: -1.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -19.907963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.907963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.907963 (E_RNA) where: Base-Base interactions energy: -3.301 where: short stacking energy: -3.301 Base-Backbone interact. energy: -0.010 local terms energy: -16.596502 where: bonds (distance) C4'-P energy: -3.301 bonds (distance) P-C4' energy: -4.575 flat angles C4'-P-C4' energy: -4.836 flat angles P-C4'-P energy: -3.064 tors. eta vs tors. theta energy: -0.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -26.647454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.647454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.647454 (E_RNA) where: Base-Base interactions energy: -7.580 where: short stacking energy: -7.580 Base-Backbone interact. energy: -0.001 local terms energy: -19.066832 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.485 flat angles P-C4'-P energy: -2.519 tors. eta vs tors. theta energy: -3.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -25.339059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.339059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.339059 (E_RNA) where: Base-Base interactions energy: -7.450 where: short stacking energy: -7.450 Base-Backbone interact. energy: -0.000 local terms energy: -17.889153 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.022 flat angles P-C4'-P energy: -3.636 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: 3, replica: 9 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -27.225965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.225965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.225965 (E_RNA) where: Base-Base interactions energy: -7.972 where: short stacking energy: -7.972 Base-Backbone interact. energy: -0.050 local terms energy: -19.203320 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -3.585 flat angles C4'-P-C4' energy: -4.517 flat angles P-C4'-P energy: -3.766 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: 4, replica: 4 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -26.324806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.324806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.324806 (E_RNA) where: Base-Base interactions energy: -7.729 where: short stacking energy: -7.729 Base-Backbone interact. energy: -0.001 local terms energy: -18.594997 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.149 flat angles C4'-P-C4' energy: -4.487 flat angles P-C4'-P energy: -3.099 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: 8 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -25.519746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.519746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.519746 (E_RNA) where: Base-Base interactions energy: -9.120 where: short stacking energy: -9.120 Base-Backbone interact. energy: -0.000 local terms energy: -16.399384 where: bonds (distance) C4'-P energy: -3.861 bonds (distance) P-C4' energy: -3.367 flat angles C4'-P-C4' energy: -3.432 flat angles P-C4'-P energy: -3.031 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: 6, replica: 2 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -22.534212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.534212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.534212 (E_RNA) where: Base-Base interactions energy: -6.700 where: short stacking energy: -6.700 Base-Backbone interact. energy: -0.001 local terms energy: -15.832702 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -4.521 flat angles P-C4'-P energy: -1.428 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: 7, replica: 7 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -19.229283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.229283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.229283 (E_RNA) where: Base-Base interactions energy: -3.504 where: short stacking energy: -3.504 Base-Backbone interact. energy: -0.067 local terms energy: -15.657756 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.398 flat angles P-C4'-P energy: -1.948 tors. eta vs tors. theta energy: 0.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -25.235973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.235973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.235973 (E_RNA) where: Base-Base interactions energy: -10.075 where: short stacking energy: -10.075 Base-Backbone interact. energy: -0.000 local terms energy: -15.160614 where: bonds (distance) C4'-P energy: -3.169 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.013 flat angles P-C4'-P energy: -0.673 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: 1 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -21.125277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.125277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.125277 (E_RNA) where: Base-Base interactions energy: -7.151 where: short stacking energy: -7.151 Base-Backbone interact. energy: -0.048 local terms energy: -13.927031 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -1.962 flat angles C4'-P-C4' energy: -3.815 flat angles P-C4'-P energy: -3.392 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: 10, replica: 3 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -20.721865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.721865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.721865 (E_RNA) where: Base-Base interactions energy: -5.466 where: short stacking energy: -5.466 Base-Backbone interact. energy: -0.884 local terms energy: -14.372437 where: bonds (distance) C4'-P energy: -2.051 bonds (distance) P-C4' energy: -3.634 flat angles C4'-P-C4' energy: -3.959 flat angles P-C4'-P energy: -3.126 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: 1, replica: 6 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -26.039327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.039327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.039327 (E_RNA) where: Base-Base interactions energy: -7.301 where: short stacking energy: -7.301 Base-Backbone interact. energy: -0.000 local terms energy: -18.738750 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.759 flat angles P-C4'-P energy: -3.528 tors. eta vs tors. theta energy: -1.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -31.962040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.962040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.962040 (E_RNA) where: Base-Base interactions energy: -10.981 where: short stacking energy: -10.981 Base-Backbone interact. energy: -0.000 local terms energy: -20.981455 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.890 flat angles P-C4'-P energy: -3.251 tors. eta vs tors. theta energy: -3.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -24.016768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.016768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.016768 (E_RNA) where: Base-Base interactions energy: -6.726 where: short stacking energy: -6.726 Base-Backbone interact. energy: -0.000 local terms energy: -17.290677 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -4.152 flat angles C4'-P-C4' energy: -4.122 flat angles P-C4'-P energy: -2.568 tors. eta vs tors. theta energy: -3.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -22.380394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.380394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.380394 (E_RNA) where: Base-Base interactions energy: -6.120 where: short stacking energy: -6.120 Base-Backbone interact. energy: -0.000 local terms energy: -16.259931 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -3.751 flat angles C4'-P-C4' energy: -2.744 flat angles P-C4'-P energy: -2.534 tors. eta vs tors. theta energy: -3.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -26.655248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.655248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.655248 (E_RNA) where: Base-Base interactions energy: -9.761 where: short stacking energy: -9.761 Base-Backbone interact. energy: -0.000 local terms energy: -16.893771 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -3.364 flat angles C4'-P-C4' energy: -4.176 flat angles P-C4'-P energy: -4.043 tors. eta vs tors. theta energy: -1.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -24.250952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.250952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.250952 (E_RNA) where: Base-Base interactions energy: -7.804 where: short stacking energy: -7.804 Base-Backbone interact. energy: -0.000 local terms energy: -16.446803 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.628 flat angles P-C4'-P energy: -3.158 tors. eta vs tors. theta energy: 0.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -21.042516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.042516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.042516 (E_RNA) where: Base-Base interactions energy: -6.657 where: short stacking energy: -6.816 Base-Backbone interact. energy: -0.088 local terms energy: -14.297763 where: bonds (distance) C4'-P energy: -2.892 bonds (distance) P-C4' energy: -3.100 flat angles C4'-P-C4' energy: -3.854 flat angles P-C4'-P energy: -2.243 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: 1 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -25.366444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.366444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.366444 (E_RNA) where: Base-Base interactions energy: -6.561 where: short stacking energy: -6.561 Base-Backbone interact. energy: -0.000 local terms energy: -18.805119 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.629 flat angles P-C4'-P energy: -1.585 tors. eta vs tors. theta energy: -3.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -26.453954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.453954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.453954 (E_RNA) where: Base-Base interactions energy: -7.711 where: short stacking energy: -7.711 Base-Backbone interact. energy: -0.000 local terms energy: -18.742407 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.466 flat angles P-C4'-P energy: -3.511 tors. eta vs tors. theta energy: -2.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -20.511910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.511910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.511910 (E_RNA) where: Base-Base interactions energy: -4.518 where: short stacking energy: -4.518 Base-Backbone interact. energy: -0.022 local terms energy: -15.972092 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -2.551 flat angles P-C4'-P energy: -3.739 tors. eta vs tors. theta energy: -0.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -31.114139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.114139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.114139 (E_RNA) where: Base-Base interactions energy: -11.594 where: short stacking energy: -11.594 Base-Backbone interact. energy: -0.006 local terms energy: -19.514895 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.972 flat angles P-C4'-P energy: -3.807 tors. eta vs tors. theta energy: -2.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -27.211741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.211741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.211741 (E_RNA) where: Base-Base interactions energy: -9.447 where: short stacking energy: -9.447 Base-Backbone interact. energy: -0.000 local terms energy: -17.765086 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.839 flat angles C4'-P-C4' energy: -3.642 flat angles P-C4'-P energy: -3.051 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: 3, replica: 8 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -24.443368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.443368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.443368 (E_RNA) where: Base-Base interactions energy: -8.335 where: short stacking energy: -8.335 Base-Backbone interact. energy: -0.000 local terms energy: -16.107929 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.640 flat angles P-C4'-P energy: -1.011 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: 5 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -23.322732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.322732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.322732 (E_RNA) where: Base-Base interactions energy: -7.278 where: short stacking energy: -7.278 Base-Backbone interact. energy: -0.000 local terms energy: -16.044506 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -1.632 flat angles P-C4'-P energy: -2.144 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: 7 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -30.387204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.387204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.387204 (E_RNA) where: Base-Base interactions energy: -11.814 where: short stacking energy: -11.814 Base-Backbone interact. energy: -0.000 local terms energy: -18.573590 where: bonds (distance) C4'-P energy: -3.939 bonds (distance) P-C4' energy: -2.867 flat angles C4'-P-C4' energy: -4.873 flat angles P-C4'-P energy: -2.694 tors. eta vs tors. theta energy: -4.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -24.860558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.860558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.860558 (E_RNA) where: Base-Base interactions energy: -7.719 where: short stacking energy: -7.719 Base-Backbone interact. energy: -0.000 local terms energy: -17.141566 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -3.214 flat angles P-C4'-P energy: -3.185 tors. eta vs tors. theta energy: -2.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -26.207815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.207815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.207815 (E_RNA) where: Base-Base interactions energy: -9.682 where: short stacking energy: -9.682 Base-Backbone interact. energy: -0.000 local terms energy: -16.525687 where: bonds (distance) C4'-P energy: -3.198 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -3.907 flat angles P-C4'-P energy: -2.657 tors. eta vs tors. theta energy: -2.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -21.386707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.386707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.386707 (E_RNA) where: Base-Base interactions energy: -7.495 where: short stacking energy: -7.495 Base-Backbone interact. energy: -0.001 local terms energy: -13.890866 where: bonds (distance) C4'-P energy: -2.751 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.097 flat angles P-C4'-P energy: -2.911 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: 3 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -21.228946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.228946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.228946 (E_RNA) where: Base-Base interactions energy: -5.652 where: short stacking energy: -5.652 Base-Backbone interact. energy: -0.074 local terms energy: -15.502257 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -3.077 flat angles P-C4'-P energy: -2.412 tors. eta vs tors. theta energy: -0.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -22.219371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.219371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.219371 (E_RNA) where: Base-Base interactions energy: -5.618 where: short stacking energy: -5.618 Base-Backbone interact. energy: -0.566 local terms energy: -16.035273 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -3.578 flat angles C4'-P-C4' energy: -2.818 flat angles P-C4'-P energy: -3.237 tors. eta vs tors. theta energy: -2.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -30.224327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.224327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.224327 (E_RNA) where: Base-Base interactions energy: -12.600 where: short stacking energy: -12.600 Base-Backbone interact. energy: -0.000 local terms energy: -17.624106 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -0.586 flat angles P-C4'-P energy: -3.134 tors. eta vs tors. theta energy: -4.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -28.328350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.328350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.328350 (E_RNA) where: Base-Base interactions energy: -11.962 where: short stacking energy: -11.962 Base-Backbone interact. energy: -0.001 local terms energy: -16.365758 where: bonds (distance) C4'-P energy: -3.277 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -1.961 flat angles P-C4'-P energy: -3.824 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: 3, replica: 6 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -25.761441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.761441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.761441 (E_RNA) where: Base-Base interactions energy: -8.250 where: short stacking energy: -8.250 Base-Backbone interact. energy: -0.083 local terms energy: -17.428268 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.345 flat angles P-C4'-P energy: -2.761 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: 4, replica: 7 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -24.256672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.256672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.256672 (E_RNA) where: Base-Base interactions energy: -7.055 where: short stacking energy: -7.055 Base-Backbone interact. energy: -0.000 local terms energy: -17.201467 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -4.254 flat angles P-C4'-P energy: -3.120 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: 5, replica: 5 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -26.728839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.728839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.728839 (E_RNA) where: Base-Base interactions energy: -9.152 where: short stacking energy: -9.152 Base-Backbone interact. energy: -0.000 local terms energy: -17.576761 where: bonds (distance) C4'-P energy: -2.970 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.908 flat angles P-C4'-P energy: -2.737 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: 6, replica: 1 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -24.990320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.990320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.990320 (E_RNA) where: Base-Base interactions energy: -6.677 where: short stacking energy: -6.677 Base-Backbone interact. energy: -0.000 local terms energy: -18.313009 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -3.984 flat angles C4'-P-C4' energy: -4.430 flat angles P-C4'-P energy: -3.350 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: 7, replica: 4 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -20.335067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.335067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.335067 (E_RNA) where: Base-Base interactions energy: -6.462 where: short stacking energy: -6.462 Base-Backbone interact. energy: -0.000 local terms energy: -13.872780 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.457 flat angles P-C4'-P energy: -1.547 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: 8, replica: 3 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -24.522650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.522650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.522650 (E_RNA) where: Base-Base interactions energy: -8.173 where: short stacking energy: -8.173 Base-Backbone interact. energy: -0.010 local terms energy: -16.339705 where: bonds (distance) C4'-P energy: -3.042 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -4.235 flat angles P-C4'-P energy: -3.447 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: 2 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -25.054844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.054844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.054844 (E_RNA) where: Base-Base interactions energy: -6.948 where: short stacking energy: -6.948 Base-Backbone interact. energy: -0.003 local terms energy: -18.104408 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.047 flat angles P-C4'-P energy: -2.864 tors. eta vs tors. theta energy: -2.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -20.067683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.067683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.067683 (E_RNA) where: Base-Base interactions energy: -3.293 where: short stacking energy: -3.293 Base-Backbone interact. energy: -0.000 local terms energy: -16.775172 where: bonds (distance) C4'-P energy: -3.708 bonds (distance) P-C4' energy: -4.342 flat angles C4'-P-C4' energy: -2.147 flat angles P-C4'-P energy: -2.609 tors. eta vs tors. theta energy: -3.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -27.731846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.731846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.731846 (E_RNA) where: Base-Base interactions energy: -11.017 where: short stacking energy: -11.017 Base-Backbone interact. energy: -0.004 local terms energy: -16.711354 where: bonds (distance) C4'-P energy: -2.415 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.628 flat angles P-C4'-P energy: -2.930 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: 9 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -23.239109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.239109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.239109 (E_RNA) where: Base-Base interactions energy: -7.582 where: short stacking energy: -7.582 Base-Backbone interact. energy: -0.422 local terms energy: -15.234733 where: bonds (distance) C4'-P energy: -2.759 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.628 flat angles P-C4'-P energy: -3.530 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: 3, replica: 7 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -27.172848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.172848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.172848 (E_RNA) where: Base-Base interactions energy: -10.886 where: short stacking energy: -10.886 Base-Backbone interact. energy: -0.500 local terms energy: -15.786588 where: bonds (distance) C4'-P energy: -2.867 bonds (distance) P-C4' energy: -5.128 flat angles C4'-P-C4' energy: -2.557 flat angles P-C4'-P energy: -2.489 tors. eta vs tors. theta energy: -2.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -20.185522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.185522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.185522 (E_RNA) where: Base-Base interactions energy: -4.196 where: short stacking energy: -4.196 Base-Backbone interact. energy: -0.066 local terms energy: -15.924082 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.133 flat angles P-C4'-P energy: -2.903 tors. eta vs tors. theta energy: 0.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -25.796632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.796632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.796632 (E_RNA) where: Base-Base interactions energy: -6.765 where: short stacking energy: -6.765 Base-Backbone interact. energy: -0.000 local terms energy: -19.031239 where: bonds (distance) C4'-P energy: -3.479 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -4.013 flat angles P-C4'-P energy: -2.648 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: 6, replica: 5 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -26.035505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.035505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.035505 (E_RNA) where: Base-Base interactions energy: -7.220 where: short stacking energy: -7.220 Base-Backbone interact. energy: -0.000 local terms energy: -18.815079 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.279 flat angles P-C4'-P energy: -3.629 tors. eta vs tors. theta energy: -2.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -20.163331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.163331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.163331 (E_RNA) where: Base-Base interactions energy: -4.169 where: short stacking energy: -4.169 Base-Backbone interact. energy: -0.004 local terms energy: -15.990300 where: bonds (distance) C4'-P energy: -4.742 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.585 flat angles P-C4'-P energy: -2.712 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: 3 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -22.889126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.889126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.889126 (E_RNA) where: Base-Base interactions energy: -6.650 where: short stacking energy: -7.769 Base-Backbone interact. energy: -0.000 local terms energy: -16.238662 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -3.751 flat angles C4'-P-C4' energy: -3.107 flat angles P-C4'-P energy: -2.425 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: 9, replica: 10 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -21.865417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.865417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.865417 (E_RNA) where: Base-Base interactions energy: -6.973 where: short stacking energy: -6.973 Base-Backbone interact. energy: -0.000 local terms energy: -14.892367 where: bonds (distance) C4'-P energy: -4.341 bonds (distance) P-C4' energy: -3.815 flat angles C4'-P-C4' energy: -4.167 flat angles P-C4'-P energy: -1.499 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: 2 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -21.343564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.343564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.343564 (E_RNA) where: Base-Base interactions energy: -7.637 where: short stacking energy: -7.637 Base-Backbone interact. energy: -0.000 local terms energy: -13.706712 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -3.332 flat angles C4'-P-C4' energy: -3.925 flat angles P-C4'-P energy: -1.855 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: 1, replica: 8 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -29.056400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.056400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.056400 (E_RNA) where: Base-Base interactions energy: -8.912 where: short stacking energy: -8.912 Base-Backbone interact. energy: -0.000 local terms energy: -20.143931 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -3.865 flat angles P-C4'-P energy: -3.241 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: 2, replica: 7 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -23.049099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.049099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.049099 (E_RNA) where: Base-Base interactions energy: -3.858 where: short stacking energy: -3.858 Base-Backbone interact. energy: -0.000 local terms energy: -19.191059 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -2.704 flat angles P-C4'-P energy: -3.872 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: 3, replica: 9 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -28.787912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.787912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.787912 (E_RNA) where: Base-Base interactions energy: -8.595 where: short stacking energy: -8.595 Base-Backbone interact. energy: -0.000 local terms energy: -20.192947 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.661 flat angles P-C4'-P energy: -2.961 tors. eta vs tors. theta energy: -3.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -25.914736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.914736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.914736 (E_RNA) where: Base-Base interactions energy: -8.910 where: short stacking energy: -8.910 Base-Backbone interact. energy: -0.000 local terms energy: -17.004439 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -3.205 flat angles C4'-P-C4' energy: -3.591 flat angles P-C4'-P energy: -2.562 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: 5, replica: 6 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -23.590399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.590399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.590399 (E_RNA) where: Base-Base interactions energy: -7.581 where: short stacking energy: -7.581 Base-Backbone interact. energy: -0.000 local terms energy: -16.009244 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -2.926 flat angles P-C4'-P energy: -1.654 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: 6, replica: 4 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -26.723818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.723818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.723818 (E_RNA) where: Base-Base interactions energy: -8.516 where: short stacking energy: -8.516 Base-Backbone interact. energy: -0.000 local terms energy: -18.207573 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.678 flat angles P-C4'-P energy: -1.641 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: 7, replica: 5 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -25.097236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.097236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.097236 (E_RNA) where: Base-Base interactions energy: -5.980 where: short stacking energy: -5.980 Base-Backbone interact. energy: -0.000 local terms energy: -19.116703 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -3.566 flat angles P-C4'-P energy: -3.221 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: 8, replica: 10 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -24.184011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.184011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.184011 (E_RNA) where: Base-Base interactions energy: -7.332 where: short stacking energy: -7.332 Base-Backbone interact. energy: -0.000 local terms energy: -16.851765 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.203 flat angles P-C4'-P energy: -2.888 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: 3 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -21.637466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.637466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.637466 (E_RNA) where: Base-Base interactions energy: -7.453 where: short stacking energy: -7.453 Base-Backbone interact. energy: -0.067 local terms energy: -14.118004 where: bonds (distance) C4'-P energy: -1.811 bonds (distance) P-C4' energy: -3.128 flat angles C4'-P-C4' energy: -4.113 flat angles P-C4'-P energy: -2.811 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: 10, replica: 2 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -21.154233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.154233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.154233 (E_RNA) where: Base-Base interactions energy: -3.179 where: short stacking energy: -3.179 Base-Backbone interact. energy: 0.479 local terms energy: -18.454051 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.211 flat angles P-C4'-P energy: -4.083 tors. eta vs tors. theta energy: -0.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -29.609589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.609589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.609589 (E_RNA) where: Base-Base interactions energy: -10.751 where: short stacking energy: -10.751 Base-Backbone interact. energy: -0.000 local terms energy: -18.858569 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.695 flat angles P-C4'-P energy: -3.189 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: 2, replica: 8 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -29.226083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.226083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.226083 (E_RNA) where: Base-Base interactions energy: -10.445 where: short stacking energy: -10.445 Base-Backbone interact. energy: -0.000 local terms energy: -18.780542 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.046 flat angles P-C4'-P energy: -3.376 tors. eta vs tors. theta energy: -2.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -30.007785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.007785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.007785 (E_RNA) where: Base-Base interactions energy: -12.455 where: short stacking energy: -12.455 Base-Backbone interact. energy: -0.000 local terms energy: -17.552290 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -2.068 flat angles P-C4'-P energy: -2.655 tors. eta vs tors. theta energy: -4.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -27.359334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.359334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.359334 (E_RNA) where: Base-Base interactions energy: -8.791 where: short stacking energy: -8.791 Base-Backbone interact. energy: -0.000 local terms energy: -18.568693 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.137 flat angles P-C4'-P energy: -3.422 tors. eta vs tors. theta energy: -1.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -25.675389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.675389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.675389 (E_RNA) where: Base-Base interactions energy: -6.061 where: short stacking energy: -6.061 Base-Backbone interact. energy: -0.000 local terms energy: -19.614146 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.697 flat angles P-C4'-P energy: -2.675 tors. eta vs tors. theta energy: -3.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -26.097927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.097927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.097927 (E_RNA) where: Base-Base interactions energy: -10.651 where: short stacking energy: -10.651 Base-Backbone interact. energy: -0.000 local terms energy: -15.447353 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -2.155 flat angles C4'-P-C4' energy: -3.946 flat angles P-C4'-P energy: -2.607 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: 7, replica: 10 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -23.888873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.888873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.888873 (E_RNA) where: Base-Base interactions energy: -4.703 where: short stacking energy: -4.703 Base-Backbone interact. energy: -0.001 local terms energy: -19.184494 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.156 flat angles C4'-P-C4' energy: -3.908 flat angles P-C4'-P energy: -4.091 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: 5 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -22.671059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.671059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.671059 (E_RNA) where: Base-Base interactions energy: -7.971 where: short stacking energy: -7.971 Base-Backbone interact. energy: -0.023 local terms energy: -14.676846 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.968 flat angles P-C4'-P energy: -2.095 tors. eta vs tors. theta energy: -0.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -22.442679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.442679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.442679 (E_RNA) where: Base-Base interactions energy: -6.692 where: short stacking energy: -6.692 Base-Backbone interact. energy: -0.000 local terms energy: -15.750521 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -1.953 flat angles P-C4'-P energy: -4.014 tors. eta vs tors. theta energy: -0.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -20.786896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.786896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.786896 (E_RNA) where: Base-Base interactions energy: -5.595 where: short stacking energy: -5.595 Base-Backbone interact. energy: -0.000 local terms energy: -15.192033 where: bonds (distance) C4'-P energy: -2.892 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.571 flat angles P-C4'-P energy: -2.871 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: 1, replica: 7 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -26.038004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.038004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.038004 (E_RNA) where: Base-Base interactions energy: -8.063 where: short stacking energy: -8.063 Base-Backbone interact. energy: -0.000 local terms energy: -17.974762 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.180 flat angles C4'-P-C4' energy: -1.821 flat angles P-C4'-P energy: -3.027 tors. eta vs tors. theta energy: -4.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -26.428742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.428742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.428742 (E_RNA) where: Base-Base interactions energy: -6.420 where: short stacking energy: -6.420 Base-Backbone interact. energy: -0.000 local terms energy: -20.008795 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.521 flat angles P-C4'-P energy: -3.692 tors. eta vs tors. theta energy: -3.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -26.688576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.688576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.688576 (E_RNA) where: Base-Base interactions energy: -7.894 where: short stacking energy: -7.894 Base-Backbone interact. energy: -0.000 local terms energy: -18.794813 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.114 flat angles P-C4'-P energy: -3.155 tors. eta vs tors. theta energy: -2.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -22.003200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.003200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.003200 (E_RNA) where: Base-Base interactions energy: -5.939 where: short stacking energy: -5.939 Base-Backbone interact. energy: -0.505 local terms energy: -15.559456 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.466 flat angles P-C4'-P energy: -3.151 tors. eta vs tors. theta energy: 1.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -23.399521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.399521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.399521 (E_RNA) where: Base-Base interactions energy: -8.215 where: short stacking energy: -8.215 Base-Backbone interact. energy: 0.183 local terms energy: -15.367600 where: bonds (distance) C4'-P energy: -1.654 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -4.401 flat angles P-C4'-P energy: -2.038 tors. eta vs tors. theta energy: -2.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -23.107062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.107062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.107062 (E_RNA) where: Base-Base interactions energy: -6.594 where: short stacking energy: -6.594 Base-Backbone interact. energy: -0.000 local terms energy: -16.513399 where: bonds (distance) C4'-P energy: -3.897 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -3.925 flat angles P-C4'-P energy: -2.189 tors. eta vs tors. theta energy: -2.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -23.026057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.026057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.026057 (E_RNA) where: Base-Base interactions energy: -5.139 where: short stacking energy: -5.139 Base-Backbone interact. energy: -0.000 local terms energy: -17.886621 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.748 flat angles P-C4'-P energy: -2.465 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: 8, replica: 2 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -20.975819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.975819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.975819 (E_RNA) where: Base-Base interactions energy: -2.801 where: short stacking energy: -4.154 Base-Backbone interact. energy: -0.629 local terms energy: -17.545607 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -4.436 flat angles P-C4'-P energy: -3.289 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: 9, replica: 5 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -22.008115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.008115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.008115 (E_RNA) where: Base-Base interactions energy: -3.458 where: short stacking energy: -3.458 Base-Backbone interact. energy: -0.000 local terms energy: -18.550532 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -4.486 flat angles P-C4'-P energy: -3.175 tors. eta vs tors. theta energy: -2.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -19.353299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.353299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.353299 (E_RNA) where: Base-Base interactions energy: -5.139 where: short stacking energy: -5.139 Base-Backbone interact. energy: -0.008 local terms energy: -14.206789 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -2.646 flat angles C4'-P-C4' energy: -3.663 flat angles P-C4'-P energy: -2.655 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: 1, replica: 1 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -28.206312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.206312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.206312 (E_RNA) where: Base-Base interactions energy: -11.904 where: short stacking energy: -11.904 Base-Backbone interact. energy: -0.001 local terms energy: -16.301412 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -3.043 flat angles C4'-P-C4' energy: -3.020 flat angles P-C4'-P energy: -2.937 tors. eta vs tors. theta energy: -3.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -23.851007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.851007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.851007 (E_RNA) where: Base-Base interactions energy: -6.866 where: short stacking energy: -6.866 Base-Backbone interact. energy: -0.058 local terms energy: -16.927112 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.410 flat angles P-C4'-P energy: -2.496 tors. eta vs tors. theta energy: -1.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -25.468313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.468313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.468313 (E_RNA) where: Base-Base interactions energy: -6.868 where: short stacking energy: -6.868 Base-Backbone interact. energy: -0.000 local terms energy: -18.599971 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.696 flat angles P-C4'-P energy: -3.056 tors. eta vs tors. theta energy: -2.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -22.771989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.771989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.771989 (E_RNA) where: Base-Base interactions energy: -6.440 where: short stacking energy: -6.440 Base-Backbone interact. energy: -0.000 local terms energy: -16.332390 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -3.113 flat angles C4'-P-C4' energy: -4.229 flat angles P-C4'-P energy: -2.755 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: 5, replica: 6 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -21.379154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.379154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.379154 (E_RNA) where: Base-Base interactions energy: -4.158 where: short stacking energy: -4.158 Base-Backbone interact. energy: -0.000 local terms energy: -17.221462 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -3.364 flat angles C4'-P-C4' energy: -4.206 flat angles P-C4'-P energy: -4.110 tors. eta vs tors. theta energy: -1.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -27.847422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.847422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.847422 (E_RNA) where: Base-Base interactions energy: -10.524 where: short stacking energy: -10.524 Base-Backbone interact. energy: -0.000 local terms energy: -17.323752 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -2.615 flat angles C4'-P-C4' energy: -3.124 flat angles P-C4'-P energy: -3.281 tors. eta vs tors. theta energy: -4.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -22.044488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.044488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.044488 (E_RNA) where: Base-Base interactions energy: -6.026 where: short stacking energy: -6.026 Base-Backbone interact. energy: -0.000 local terms energy: -16.018152 where: bonds (distance) C4'-P energy: -3.053 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -4.943 flat angles P-C4'-P energy: -0.794 tors. eta vs tors. theta energy: -3.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -22.047541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.047541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.047541 (E_RNA) where: Base-Base interactions energy: -7.073 where: short stacking energy: -7.073 Base-Backbone interact. energy: -0.000 local terms energy: -14.974697 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -3.321 flat angles C4'-P-C4' energy: -3.695 flat angles P-C4'-P energy: -3.433 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: 9, replica: 3 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -23.115683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.115683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.115683 (E_RNA) where: Base-Base interactions energy: -9.860 where: short stacking energy: -9.860 Base-Backbone interact. energy: -0.009 local terms energy: -13.245928 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -3.112 flat angles C4'-P-C4' energy: -0.835 flat angles P-C4'-P energy: -3.319 tors. eta vs tors. theta energy: -1.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -21.594367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.594367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.594367 (E_RNA) where: Base-Base interactions energy: -3.645 where: short stacking energy: -3.645 Base-Backbone interact. energy: -0.000 local terms energy: -17.949730 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.574 flat angles P-C4'-P energy: -2.456 tors. eta vs tors. theta energy: -1.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -28.602116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.602116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.602116 (E_RNA) where: Base-Base interactions energy: -11.922 where: short stacking energy: -11.922 Base-Backbone interact. energy: -0.000 local terms energy: -16.680357 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.582 flat angles C4'-P-C4' energy: -3.656 flat angles P-C4'-P energy: -2.576 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: 8 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -23.824270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.824270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.824270 (E_RNA) where: Base-Base interactions energy: -6.744 where: short stacking energy: -6.744 Base-Backbone interact. energy: -0.000 local terms energy: -17.080540 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.349 flat angles P-C4'-P energy: -2.735 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: 3, replica: 7 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -24.366053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.366053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.366053 (E_RNA) where: Base-Base interactions energy: -8.118 where: short stacking energy: -8.118 Base-Backbone interact. energy: -0.002 local terms energy: -16.246088 where: bonds (distance) C4'-P energy: -3.459 bonds (distance) P-C4' energy: -3.923 flat angles C4'-P-C4' energy: -3.373 flat angles P-C4'-P energy: -2.835 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: 6 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -24.918619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.918619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.918619 (E_RNA) where: Base-Base interactions energy: -9.031 where: short stacking energy: -9.031 Base-Backbone interact. energy: -0.433 local terms energy: -15.454579 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -3.805 flat angles P-C4'-P energy: -1.711 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: 5, replica: 4 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -23.303335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.303335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.303335 (E_RNA) where: Base-Base interactions energy: -3.649 where: short stacking energy: -3.649 Base-Backbone interact. energy: -0.000 local terms energy: -19.654329 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.344 flat angles P-C4'-P energy: -2.811 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: 6, replica: 2 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -24.959662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.959662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.959662 (E_RNA) where: Base-Base interactions energy: -6.800 where: short stacking energy: -6.800 Base-Backbone interact. energy: -0.000 local terms energy: -18.159391 where: bonds (distance) C4'-P energy: -3.152 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.324 flat angles P-C4'-P energy: -2.343 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: 7, replica: 9 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -22.411412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.411412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.411412 (E_RNA) where: Base-Base interactions energy: -7.221 where: short stacking energy: -7.221 Base-Backbone interact. energy: -0.000 local terms energy: -15.189603 where: bonds (distance) C4'-P energy: -2.518 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -1.965 flat angles P-C4'-P energy: -3.636 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: 8, replica: 3 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -23.659342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.659342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.659342 (E_RNA) where: Base-Base interactions energy: -5.899 where: short stacking energy: -6.297 Base-Backbone interact. energy: -0.000 local terms energy: -17.759829 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.996 flat angles P-C4'-P energy: -2.726 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: 9, replica: 10 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -20.795545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.795545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.795545 (E_RNA) where: Base-Base interactions energy: -6.860 where: short stacking energy: -6.860 Base-Backbone interact. energy: -0.014 local terms energy: -13.921581 where: bonds (distance) C4'-P energy: -2.395 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -2.722 flat angles P-C4'-P energy: -3.796 tors. eta vs tors. theta energy: -0.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -21.016551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.016551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.016551 (E_RNA) where: Base-Base interactions energy: -3.608 where: short stacking energy: -3.608 Base-Backbone interact. energy: -0.000 local terms energy: -17.408122 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -2.546 flat angles P-C4'-P energy: -2.004 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: 1, replica: 1 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -26.383943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.383943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.383943 (E_RNA) where: Base-Base interactions energy: -8.320 where: short stacking energy: -8.320 Base-Backbone interact. energy: -0.000 local terms energy: -18.064376 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.013 flat angles P-C4'-P energy: -2.620 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: 8 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -25.938743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.938743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.938743 (E_RNA) where: Base-Base interactions energy: -6.900 where: short stacking energy: -6.900 Base-Backbone interact. energy: 0.123 local terms energy: -19.162144 where: bonds (distance) C4'-P energy: -4.009 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.797 flat angles P-C4'-P energy: -3.447 tors. eta vs tors. theta energy: -1.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -28.933662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.933662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.933662 (E_RNA) where: Base-Base interactions energy: -11.005 where: short stacking energy: -11.005 Base-Backbone interact. energy: -0.684 local terms energy: -17.244400 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -4.113 flat angles P-C4'-P energy: -3.880 tors. eta vs tors. theta energy: -0.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -27.998809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.998809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.998809 (E_RNA) where: Base-Base interactions energy: -10.103 where: short stacking energy: -10.103 Base-Backbone interact. energy: 0.061 local terms energy: -17.957010 where: bonds (distance) C4'-P energy: -3.487 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.731 flat angles P-C4'-P energy: -2.796 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: 5, replica: 2 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -24.039982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.039982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.039982 (E_RNA) where: Base-Base interactions energy: -7.569 where: short stacking energy: -7.569 Base-Backbone interact. energy: -0.000 local terms energy: -16.471363 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -4.311 flat angles C4'-P-C4' energy: -2.294 flat angles P-C4'-P energy: -3.689 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: 6, replica: 4 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -19.797474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.797474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.797474 (E_RNA) where: Base-Base interactions energy: -3.868 where: short stacking energy: -3.868 Base-Backbone interact. energy: -0.045 local terms energy: -15.884163 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.009 flat angles P-C4'-P energy: -0.059 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: 7, replica: 3 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -24.441981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.441981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.441981 (E_RNA) where: Base-Base interactions energy: -7.048 where: short stacking energy: -7.048 Base-Backbone interact. energy: -0.000 local terms energy: -17.393939 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -3.787 flat angles P-C4'-P energy: -2.519 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: 8, replica: 9 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -23.723145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.723145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.723145 (E_RNA) where: Base-Base interactions energy: -6.638 where: short stacking energy: -7.090 Base-Backbone interact. energy: -0.000 local terms energy: -17.084694 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -4.455 flat angles P-C4'-P energy: -2.188 tors. eta vs tors. theta energy: -1.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -20.575193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.575193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.575193 (E_RNA) where: Base-Base interactions energy: -4.971 where: short stacking energy: -4.971 Base-Backbone interact. energy: -0.000 local terms energy: -15.604177 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -2.222 flat angles P-C4'-P energy: -3.395 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: 10, replica: 10 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -21.852255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.852255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.852255 (E_RNA) where: Base-Base interactions energy: -6.303 where: short stacking energy: -6.303 Base-Backbone interact. energy: -0.003 local terms energy: -15.546789 where: bonds (distance) C4'-P energy: -2.900 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -4.494 flat angles P-C4'-P energy: -2.470 tors. eta vs tors. theta energy: -1.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -33.385801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.385801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.385801 (E_RNA) where: Base-Base interactions energy: -11.690 where: short stacking energy: -11.690 Base-Backbone interact. energy: -0.000 local terms energy: -21.695589 where: bonds (distance) C4'-P energy: -4.427 bonds (distance) P-C4' energy: -5.365 flat angles C4'-P-C4' energy: -3.938 flat angles P-C4'-P energy: -3.338 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: 2, replica: 6 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -28.049638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.049638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.049638 (E_RNA) where: Base-Base interactions energy: -8.255 where: short stacking energy: -8.255 Base-Backbone interact. energy: -0.000 local terms energy: -19.795009 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -2.900 flat angles P-C4'-P energy: -2.920 tors. eta vs tors. theta energy: -4.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -27.043940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.043940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.043940 (E_RNA) where: Base-Base interactions energy: -8.010 where: short stacking energy: -8.010 Base-Backbone interact. energy: -0.000 local terms energy: -19.034018 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -4.867 flat angles C4'-P-C4' energy: -3.259 flat angles P-C4'-P energy: -3.254 tors. eta vs tors. theta energy: -3.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -24.688905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.688905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.688905 (E_RNA) where: Base-Base interactions energy: -8.213 where: short stacking energy: -8.213 Base-Backbone interact. energy: -0.001 local terms energy: -16.475015 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.538 flat angles P-C4'-P energy: -2.703 tors. eta vs tors. theta energy: -1.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -24.245769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.245769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.245769 (E_RNA) where: Base-Base interactions energy: -4.284 where: short stacking energy: -4.284 Base-Backbone interact. energy: -0.000 local terms energy: -19.961998 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.467 flat angles P-C4'-P energy: -3.547 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: 6, replica: 3 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -25.470837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.470837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.470837 (E_RNA) where: Base-Base interactions energy: -10.134 where: short stacking energy: -10.134 Base-Backbone interact. energy: -0.002 local terms energy: -15.334872 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -3.941 flat angles C4'-P-C4' energy: -3.116 flat angles P-C4'-P energy: -0.890 tors. eta vs tors. theta energy: -2.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -26.603749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.603749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.603749 (E_RNA) where: Base-Base interactions energy: -11.350 where: short stacking energy: -11.350 Base-Backbone interact. energy: -0.006 local terms energy: -15.247571 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -2.336 flat angles P-C4'-P energy: -3.453 tors. eta vs tors. theta energy: -0.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -21.090895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.090895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.090895 (E_RNA) where: Base-Base interactions energy: -5.060 where: short stacking energy: -5.060 Base-Backbone interact. energy: -0.002 local terms energy: -16.029108 where: bonds (distance) C4'-P energy: -3.104 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.006 flat angles P-C4'-P energy: -3.918 tors. eta vs tors. theta energy: -0.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -20.095954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.095954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.095954 (E_RNA) where: Base-Base interactions energy: -3.790 where: short stacking energy: -3.790 Base-Backbone interact. energy: -0.181 local terms energy: -16.125621 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.401 flat angles P-C4'-P energy: -1.817 tors. eta vs tors. theta energy: -1.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -22.367547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.367547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.367547 (E_RNA) where: Base-Base interactions energy: -4.006 where: short stacking energy: -4.006 Base-Backbone interact. energy: -0.021 local terms energy: -18.340711 where: bonds (distance) C4'-P energy: -4.311 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.995 flat angles P-C4'-P energy: -3.127 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: 1, replica: 6 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -24.886170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.886170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.886170 (E_RNA) where: Base-Base interactions energy: -7.711 where: short stacking energy: -7.711 Base-Backbone interact. energy: -0.016 local terms energy: -17.159596 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.006 flat angles P-C4'-P energy: -4.128 tors. eta vs tors. theta energy: -1.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -26.592545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.592545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.592545 (E_RNA) where: Base-Base interactions energy: -8.514 where: short stacking energy: -8.514 Base-Backbone interact. energy: -0.000 local terms energy: -18.078342 where: bonds (distance) C4'-P energy: -4.311 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.746 flat angles P-C4'-P energy: -3.683 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: 3, replica: 8 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -23.202931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.202931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.202931 (E_RNA) where: Base-Base interactions energy: -8.400 where: short stacking energy: -8.400 Base-Backbone interact. energy: -0.000 local terms energy: -14.802293 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.457 flat angles P-C4'-P energy: -1.549 tors. eta vs tors. theta energy: -0.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -26.439207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.439207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.439207 (E_RNA) where: Base-Base interactions energy: -9.078 where: short stacking energy: -9.078 Base-Backbone interact. energy: -0.084 local terms energy: -17.276845 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.572 flat angles C4'-P-C4' energy: -3.271 flat angles P-C4'-P energy: -2.531 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: 3 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -26.207344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.207344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.207344 (E_RNA) where: Base-Base interactions energy: -6.611 where: short stacking energy: -6.611 Base-Backbone interact. energy: -0.000 local terms energy: -19.596117 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -4.305 flat angles P-C4'-P energy: -2.836 tors. eta vs tors. theta energy: -3.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -23.639444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.639444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.639444 (E_RNA) where: Base-Base interactions energy: -9.544 where: short stacking energy: -9.544 Base-Backbone interact. energy: -0.002 local terms energy: -14.093212 where: bonds (distance) C4'-P energy: -2.154 bonds (distance) P-C4' energy: -4.152 flat angles C4'-P-C4' energy: -1.976 flat angles P-C4'-P energy: -2.571 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: 7, replica: 9 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -20.653100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.653100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.653100 (E_RNA) where: Base-Base interactions energy: -4.253 where: short stacking energy: -4.253 Base-Backbone interact. energy: -0.002 local terms energy: -16.397981 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -3.587 flat angles P-C4'-P energy: -2.543 tors. eta vs tors. theta energy: -1.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -20.432097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.432097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.432097 (E_RNA) where: Base-Base interactions energy: -4.580 where: short stacking energy: -4.580 Base-Backbone interact. energy: -0.099 local terms energy: -15.752871 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -3.784 flat angles C4'-P-C4' energy: -4.119 flat angles P-C4'-P energy: -2.992 tors. eta vs tors. theta energy: -0.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -18.646729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.646729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.646729 (E_RNA) where: Base-Base interactions energy: -3.788 where: short stacking energy: -3.788 Base-Backbone interact. energy: 0.317 local terms energy: -15.175289 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.958 flat angles P-C4'-P energy: -1.472 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: 5 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -18.259144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.259144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.259144 (E_RNA) where: Base-Base interactions energy: -3.807 where: short stacking energy: -3.807 Base-Backbone interact. energy: -0.000 local terms energy: -14.452073 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -3.296 flat angles C4'-P-C4' energy: -3.749 flat angles P-C4'-P energy: -3.339 tors. eta vs tors. theta energy: 0.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -28.367715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.367715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.367715 (E_RNA) where: Base-Base interactions energy: -9.689 where: short stacking energy: -9.689 Base-Backbone interact. energy: -0.001 local terms energy: -18.678246 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -4.339 flat angles C4'-P-C4' energy: -3.987 flat angles P-C4'-P energy: -2.942 tors. eta vs tors. theta energy: -3.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -28.176027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.176027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.176027 (E_RNA) where: Base-Base interactions energy: -10.130 where: short stacking energy: -10.130 Base-Backbone interact. energy: -0.002 local terms energy: -18.043672 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.416 flat angles P-C4'-P energy: -3.814 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: 1 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -24.843302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.843302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.843302 (E_RNA) where: Base-Base interactions energy: -8.884 where: short stacking energy: -8.884 Base-Backbone interact. energy: -0.099 local terms energy: -15.859610 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -3.981 flat angles C4'-P-C4' energy: -4.030 flat angles P-C4'-P energy: -3.229 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: 4, replica: 3 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -26.626549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.626549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.626549 (E_RNA) where: Base-Base interactions energy: -7.693 where: short stacking energy: -7.693 Base-Backbone interact. energy: -0.001 local terms energy: -18.932461 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -3.916 flat angles C4'-P-C4' energy: -4.698 flat angles P-C4'-P energy: -3.210 tors. eta vs tors. theta energy: -2.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -24.161797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.161797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.161797 (E_RNA) where: Base-Base interactions energy: -5.898 where: short stacking energy: -5.898 Base-Backbone interact. energy: -0.003 local terms energy: -18.261013 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.342 flat angles C4'-P-C4' energy: -3.874 flat angles P-C4'-P energy: -2.573 tors. eta vs tors. theta energy: -3.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -23.721680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.721680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.721680 (E_RNA) where: Base-Base interactions energy: -8.305 where: short stacking energy: -8.305 Base-Backbone interact. energy: -0.001 local terms energy: -15.416148 where: bonds (distance) C4'-P energy: -4.279 bonds (distance) P-C4' energy: -4.343 flat angles C4'-P-C4' energy: -4.614 flat angles P-C4'-P energy: 0.549 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: 7, replica: 2 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -24.269983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.269983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.269983 (E_RNA) where: Base-Base interactions energy: -7.807 where: short stacking energy: -7.807 Base-Backbone interact. energy: -0.001 local terms energy: -16.462151 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.113 flat angles P-C4'-P energy: -2.844 tors. eta vs tors. theta energy: -1.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -21.775007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.775007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.775007 (E_RNA) where: Base-Base interactions energy: -7.297 where: short stacking energy: -7.297 Base-Backbone interact. energy: -0.004 local terms energy: -14.474106 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.765 flat angles P-C4'-P energy: -0.264 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: 9, replica: 4 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -22.198123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.198123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.198123 (E_RNA) where: Base-Base interactions energy: -7.525 where: short stacking energy: -7.525 Base-Backbone interact. energy: -0.000 local terms energy: -14.672947 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -3.885 flat angles C4'-P-C4' energy: -3.250 flat angles P-C4'-P energy: 0.331 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: 10, replica: 5 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -23.865743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.865743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.865743 (E_RNA) where: Base-Base interactions energy: -5.689 where: short stacking energy: -5.689 Base-Backbone interact. energy: -0.000 local terms energy: -18.176810 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.241 flat angles P-C4'-P energy: -4.033 tors. eta vs tors. theta energy: -0.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -27.701551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.701551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.701551 (E_RNA) where: Base-Base interactions energy: -8.243 where: short stacking energy: -8.243 Base-Backbone interact. energy: -0.000 local terms energy: -19.458277 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.218 flat angles P-C4'-P energy: -3.636 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: 6 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -25.117373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.117373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.117373 (E_RNA) where: Base-Base interactions energy: -9.509 where: short stacking energy: -9.509 Base-Backbone interact. energy: -0.000 local terms energy: -15.608358 where: bonds (distance) C4'-P energy: -1.927 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.294 flat angles P-C4'-P energy: -3.291 tors. eta vs tors. theta energy: -0.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -29.349949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.349949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.349949 (E_RNA) where: Base-Base interactions energy: -10.772 where: short stacking energy: -10.772 Base-Backbone interact. energy: -0.000 local terms energy: -18.577602 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -2.810 flat angles C4'-P-C4' energy: -3.851 flat angles P-C4'-P energy: -3.545 tors. eta vs tors. theta energy: -4.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -25.241696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.241696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.241696 (E_RNA) where: Base-Base interactions energy: -7.463 where: short stacking energy: -7.463 Base-Backbone interact. energy: -0.003 local terms energy: -17.775800 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.693 flat angles P-C4'-P energy: -3.276 tors. eta vs tors. theta energy: -0.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -21.815213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.815213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.815213 (E_RNA) where: Base-Base interactions energy: -5.183 where: short stacking energy: -5.183 Base-Backbone interact. energy: -0.000 local terms energy: -16.632263 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.054 flat angles C4'-P-C4' energy: -3.361 flat angles P-C4'-P energy: -3.616 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: 6, replica: 9 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -27.997111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.997111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.997111 (E_RNA) where: Base-Base interactions energy: -11.196 where: short stacking energy: -11.196 Base-Backbone interact. energy: -0.001 local terms energy: -16.800221 where: bonds (distance) C4'-P energy: -4.311 bonds (distance) P-C4' energy: -3.097 flat angles C4'-P-C4' energy: -4.820 flat angles P-C4'-P energy: -3.121 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: 7, replica: 10 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -20.047046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.047046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.047046 (E_RNA) where: Base-Base interactions energy: -4.570 where: short stacking energy: -4.570 Base-Backbone interact. energy: -0.001 local terms energy: -15.475865 where: bonds (distance) C4'-P energy: -2.138 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -1.541 flat angles P-C4'-P energy: -2.206 tors. eta vs tors. theta energy: -4.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -18.347372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.347372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.347372 (E_RNA) where: Base-Base interactions energy: -5.339 where: short stacking energy: -5.339 Base-Backbone interact. energy: -0.007 local terms energy: -13.001943 where: bonds (distance) C4'-P energy: -3.169 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -3.238 flat angles P-C4'-P energy: -2.907 tors. eta vs tors. theta energy: 0.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -20.532385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.532385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.532385 (E_RNA) where: Base-Base interactions energy: -7.417 where: short stacking energy: -7.417 Base-Backbone interact. energy: -0.001 local terms energy: -13.114448 where: bonds (distance) C4'-P energy: -2.192 bonds (distance) P-C4' energy: -3.414 flat angles C4'-P-C4' energy: -3.362 flat angles P-C4'-P energy: -2.061 tors. eta vs tors. theta energy: -2.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -18.866642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.866642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.866642 (E_RNA) where: Base-Base interactions energy: -9.582 where: short stacking energy: -9.582 Base-Backbone interact. energy: -0.060 local terms energy: -9.224311 where: bonds (distance) C4'-P energy: -3.277 bonds (distance) P-C4' energy: -2.183 flat angles C4'-P-C4' energy: -1.887 flat angles P-C4'-P energy: -0.240 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: 8 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -31.596205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.596205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.596205 (E_RNA) where: Base-Base interactions energy: -11.383 where: short stacking energy: -11.383 Base-Backbone interact. energy: -0.000 local terms energy: -20.212762 where: bonds (distance) C4'-P energy: -3.194 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.254 flat angles P-C4'-P energy: -4.036 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: 3 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -27.292497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.292497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.292497 (E_RNA) where: Base-Base interactions energy: -10.874 where: short stacking energy: -10.874 Base-Backbone interact. energy: -0.000 local terms energy: -16.418608 where: bonds (distance) C4'-P energy: -4.233 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -3.475 flat angles P-C4'-P energy: -2.866 tors. eta vs tors. theta energy: -1.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -29.900667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.900667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.900667 (E_RNA) where: Base-Base interactions energy: -10.714 where: short stacking energy: -10.714 Base-Backbone interact. energy: -0.000 local terms energy: -19.186916 where: bonds (distance) C4'-P energy: -3.148 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -4.398 flat angles P-C4'-P energy: -4.025 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: 4, replica: 7 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -24.815744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.815744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.815744 (E_RNA) where: Base-Base interactions energy: -8.061 where: short stacking energy: -8.134 Base-Backbone interact. energy: -0.000 local terms energy: -16.755111 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -3.748 flat angles C4'-P-C4' energy: -4.540 flat angles P-C4'-P energy: -1.193 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: 1 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -20.766534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.766534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.766534 (E_RNA) where: Base-Base interactions energy: -3.554 where: short stacking energy: -3.554 Base-Backbone interact. energy: 0.430 local terms energy: -17.642695 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.835 flat angles P-C4'-P energy: -3.939 tors. eta vs tors. theta energy: 0.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -23.060191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.060191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.060191 (E_RNA) where: Base-Base interactions energy: -8.265 where: short stacking energy: -8.265 Base-Backbone interact. energy: -0.015 local terms energy: -14.780512 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.981 flat angles C4'-P-C4' energy: -4.712 flat angles P-C4'-P energy: 0.643 tors. eta vs tors. theta energy: -2.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -24.273487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.273487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.273487 (E_RNA) where: Base-Base interactions energy: -5.577 where: short stacking energy: -5.577 Base-Backbone interact. energy: -0.001 local terms energy: -18.695873 where: bonds (distance) C4'-P energy: -3.708 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.640 flat angles P-C4'-P energy: -3.567 tors. eta vs tors. theta energy: -2.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -20.440539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.440539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.440539 (E_RNA) where: Base-Base interactions energy: -7.027 where: short stacking energy: -7.027 Base-Backbone interact. energy: -0.000 local terms energy: -13.413187 where: bonds (distance) C4'-P energy: -1.108 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -3.588 flat angles P-C4'-P energy: -2.112 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: 2 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -22.512433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.512433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.512433 (E_RNA) where: Base-Base interactions energy: -6.710 where: short stacking energy: -6.710 Base-Backbone interact. energy: -0.000 local terms energy: -15.802859 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -1.837 flat angles P-C4'-P energy: -2.321 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: 10, replica: 4 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -19.930494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.930494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.930494 (E_RNA) where: Base-Base interactions energy: -7.898 where: short stacking energy: -7.898 Base-Backbone interact. energy: -0.002 local terms energy: -12.030168 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -2.895 flat angles C4'-P-C4' energy: -3.058 flat angles P-C4'-P energy: -1.256 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: 3 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -24.868599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.868599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.868599 (E_RNA) where: Base-Base interactions energy: -7.164 where: short stacking energy: -7.164 Base-Backbone interact. energy: -0.011 local terms energy: -17.693994 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.500 flat angles P-C4'-P energy: -3.180 tors. eta vs tors. theta energy: -1.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -24.870291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.870291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.870291 (E_RNA) where: Base-Base interactions energy: -8.137 where: short stacking energy: -8.137 Base-Backbone interact. energy: -0.098 local terms energy: -16.634893 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -3.815 flat angles C4'-P-C4' energy: -4.119 flat angles P-C4'-P energy: -3.161 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: 3, replica: 7 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -22.969710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.969710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.969710 (E_RNA) where: Base-Base interactions energy: -7.020 where: short stacking energy: -7.020 Base-Backbone interact. energy: -0.009 local terms energy: -15.940273 where: bonds (distance) C4'-P energy: -2.680 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.221 flat angles P-C4'-P energy: -3.089 tors. eta vs tors. theta energy: -0.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -23.098913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.098913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.098913 (E_RNA) where: Base-Base interactions energy: -7.338 where: short stacking energy: -7.338 Base-Backbone interact. energy: -0.030 local terms energy: -15.730838 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.637 flat angles P-C4'-P energy: -3.778 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: 5, replica: 1 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -26.876671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.876671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.876671 (E_RNA) where: Base-Base interactions energy: -11.037 where: short stacking energy: -11.037 Base-Backbone interact. energy: -0.000 local terms energy: -15.839684 where: bonds (distance) C4'-P energy: -1.790 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -1.432 flat angles P-C4'-P energy: -2.674 tors. eta vs tors. theta energy: -4.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -21.968971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.968971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.968971 (E_RNA) where: Base-Base interactions energy: -4.294 where: short stacking energy: -4.294 Base-Backbone interact. energy: -0.005 local terms energy: -17.669249 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.413 flat angles P-C4'-P energy: -3.142 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: 7, replica: 9 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -25.763116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.763116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.763116 (E_RNA) where: Base-Base interactions energy: -8.368 where: short stacking energy: -8.368 Base-Backbone interact. energy: -0.000 local terms energy: -17.395494 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -4.569 flat angles C4'-P-C4' energy: -4.206 flat angles P-C4'-P energy: -1.870 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: 5 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -26.220792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.220792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.220792 (E_RNA) where: Base-Base interactions energy: -10.836 where: short stacking energy: -10.836 Base-Backbone interact. energy: -0.003 local terms energy: -15.381491 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.600 flat angles P-C4'-P energy: 1.428 tors. eta vs tors. theta energy: -4.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -20.306989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.306989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.306989 (E_RNA) where: Base-Base interactions energy: -5.741 where: short stacking energy: -5.741 Base-Backbone interact. energy: -0.003 local terms energy: -14.562529 where: bonds (distance) C4'-P energy: -3.301 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.885 flat angles P-C4'-P energy: -1.703 tors. eta vs tors. theta energy: -0.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -20.562969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.562969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.562969 (E_RNA) where: Base-Base interactions energy: -7.132 where: short stacking energy: -7.132 Base-Backbone interact. energy: -0.000 local terms energy: -13.430388 where: bonds (distance) C4'-P energy: -2.014 bonds (distance) P-C4' energy: -3.177 flat angles C4'-P-C4' energy: -3.002 flat angles P-C4'-P energy: -2.889 tors. eta vs tors. theta energy: -2.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -30.126156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.126156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.126156 (E_RNA) where: Base-Base interactions energy: -11.834 where: short stacking energy: -11.834 Base-Backbone interact. energy: -0.002 local terms energy: -18.289553 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.441 flat angles P-C4'-P energy: -2.435 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: 2, replica: 7 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -27.921583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.921583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.921583 (E_RNA) where: Base-Base interactions energy: -7.287 where: short stacking energy: -7.287 Base-Backbone interact. energy: -0.000 local terms energy: -20.634523 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.133 flat angles P-C4'-P energy: -3.050 tors. eta vs tors. theta energy: -4.702 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: 375 Temperature: 1.000000 Total energy: -27.285197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.285197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.285197 (E_RNA) where: Base-Base interactions energy: -8.146 where: short stacking energy: -8.146 Base-Backbone interact. energy: -0.000 local terms energy: -19.139127 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -3.991 flat angles P-C4'-P energy: -2.135 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: 4, replica: 1 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -27.040610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.040610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.040610 (E_RNA) where: Base-Base interactions energy: -8.932 where: short stacking energy: -8.932 Base-Backbone interact. energy: -0.000 local terms energy: -18.108394 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -4.580 flat angles P-C4'-P energy: -2.372 tors. eta vs tors. theta energy: -2.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -24.171212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.171212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.171212 (E_RNA) where: Base-Base interactions energy: -7.042 where: short stacking energy: -7.042 Base-Backbone interact. energy: -0.000 local terms energy: -17.128810 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.103 flat angles C4'-P-C4' energy: -4.148 flat angles P-C4'-P energy: -3.807 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: 6, replica: 9 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -23.206992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.206992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.206992 (E_RNA) where: Base-Base interactions energy: -5.357 where: short stacking energy: -5.357 Base-Backbone interact. energy: -0.000 local terms energy: -17.850329 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.129 flat angles P-C4'-P energy: -2.679 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: 10 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -29.261051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.261051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.261051 (E_RNA) where: Base-Base interactions energy: -10.657 where: short stacking energy: -10.657 Base-Backbone interact. energy: -0.000 local terms energy: -18.604021 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.585 flat angles P-C4'-P energy: -3.405 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: 8, replica: 4 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -23.740981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.740981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.740981 (E_RNA) where: Base-Base interactions energy: -5.236 where: short stacking energy: -5.236 Base-Backbone interact. energy: -0.000 local terms energy: -18.505024 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -3.592 flat angles P-C4'-P energy: -3.631 tors. eta vs tors. theta energy: -1.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -20.325757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.325757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.325757 (E_RNA) where: Base-Base interactions energy: -5.955 where: short stacking energy: -5.955 Base-Backbone interact. energy: -0.000 local terms energy: -14.371160 where: bonds (distance) C4'-P energy: -3.317 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -2.343 flat angles P-C4'-P energy: -2.511 tors. eta vs tors. theta energy: -2.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -23.367058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.367058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.367058 (E_RNA) where: Base-Base interactions energy: -6.443 where: short stacking energy: -6.443 Base-Backbone interact. energy: -0.000 local terms energy: -16.924064 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.483 flat angles P-C4'-P energy: -3.441 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: 1, replica: 7 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -28.873684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.873684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.873684 (E_RNA) where: Base-Base interactions energy: -10.667 where: short stacking energy: -10.667 Base-Backbone interact. energy: -0.000 local terms energy: -18.206904 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -2.913 flat angles P-C4'-P energy: -3.248 tors. eta vs tors. theta energy: -2.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -28.650150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.650150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.650150 (E_RNA) where: Base-Base interactions energy: -10.863 where: short stacking energy: -10.863 Base-Backbone interact. energy: 0.081 local terms energy: -17.868475 where: bonds (distance) C4'-P energy: -1.463 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.557 flat angles P-C4'-P energy: -3.759 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: 3, replica: 1 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -24.268721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.268721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.268721 (E_RNA) where: Base-Base interactions energy: -5.993 where: short stacking energy: -5.993 Base-Backbone interact. energy: -0.055 local terms energy: -18.219826 where: bonds (distance) C4'-P energy: -3.708 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.428 flat angles P-C4'-P energy: -3.541 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: 4, replica: 8 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -27.077443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.077443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.077443 (E_RNA) where: Base-Base interactions energy: -6.818 where: short stacking energy: -6.818 Base-Backbone interact. energy: -0.000 local terms energy: -20.259430 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.211 flat angles P-C4'-P energy: -3.265 tors. eta vs tors. theta energy: -3.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -24.672160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.672160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.672160 (E_RNA) where: Base-Base interactions energy: -8.517 where: short stacking energy: -8.517 Base-Backbone interact. energy: -0.000 local terms energy: -16.155219 where: bonds (distance) C4'-P energy: -3.673 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.622 flat angles P-C4'-P energy: -2.987 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: 6, replica: 6 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -22.662420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.662420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.662420 (E_RNA) where: Base-Base interactions energy: -5.965 where: short stacking energy: -5.965 Base-Backbone interact. energy: -0.000 local terms energy: -16.696660 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -4.370 flat angles C4'-P-C4' energy: -4.409 flat angles P-C4'-P energy: -1.930 tors. eta vs tors. theta energy: -1.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -25.275990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.275990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.275990 (E_RNA) where: Base-Base interactions energy: -10.376 where: short stacking energy: -10.376 Base-Backbone interact. energy: -0.000 local terms energy: -14.899672 where: bonds (distance) C4'-P energy: -2.900 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -4.111 flat angles P-C4'-P energy: -0.356 tors. eta vs tors. theta energy: -2.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -22.743930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.743930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.743930 (E_RNA) where: Base-Base interactions energy: -7.596 where: short stacking energy: -7.596 Base-Backbone interact. energy: -0.000 local terms energy: -15.147805 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.061 flat angles P-C4'-P energy: -1.959 tors. eta vs tors. theta energy: -0.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -20.873772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.873772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.873772 (E_RNA) where: Base-Base interactions energy: -7.812 where: short stacking energy: -7.812 Base-Backbone interact. energy: -0.000 local terms energy: -13.061807 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.364 flat angles C4'-P-C4' energy: -4.525 flat angles P-C4'-P energy: -1.460 tors. eta vs tors. theta energy: 0.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -20.535876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.535876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.535876 (E_RNA) where: Base-Base interactions energy: -5.001 where: short stacking energy: -5.001 Base-Backbone interact. energy: -0.001 local terms energy: -15.534083 where: bonds (distance) C4'-P energy: -2.672 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -2.784 flat angles P-C4'-P energy: -3.350 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: 1, replica: 7 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -29.126760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.126760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.126760 (E_RNA) where: Base-Base interactions energy: -8.111 where: short stacking energy: -8.111 Base-Backbone interact. energy: -0.000 local terms energy: -21.016147 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.237 flat angles P-C4'-P energy: -3.400 tors. eta vs tors. theta energy: -4.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -27.747526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.747526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.747526 (E_RNA) where: Base-Base interactions energy: -9.022 where: short stacking energy: -9.022 Base-Backbone interact. energy: -0.096 local terms energy: -18.629222 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.569 flat angles C4'-P-C4' energy: -4.407 flat angles P-C4'-P energy: -3.689 tors. eta vs tors. theta energy: -1.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -26.786307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.786307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.786307 (E_RNA) where: Base-Base interactions energy: -11.538 where: short stacking energy: -11.538 Base-Backbone interact. energy: -0.058 local terms energy: -15.190369 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -3.631 flat angles C4'-P-C4' energy: -4.644 flat angles P-C4'-P energy: -1.746 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: 4, replica: 9 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -23.943526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.943526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.943526 (E_RNA) where: Base-Base interactions energy: -6.013 where: short stacking energy: -6.013 Base-Backbone interact. energy: -0.986 local terms energy: -16.944625 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.717 flat angles P-C4'-P energy: -3.021 tors. eta vs tors. theta energy: -0.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -22.467415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.467415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.467415 (E_RNA) where: Base-Base interactions energy: -5.656 where: short stacking energy: -5.656 Base-Backbone interact. energy: -0.004 local terms energy: -16.808195 where: bonds (distance) C4'-P energy: -3.268 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.495 flat angles P-C4'-P energy: -3.104 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: 6, replica: 4 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -27.202786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.202786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.202786 (E_RNA) where: Base-Base interactions energy: -9.575 where: short stacking energy: -9.575 Base-Backbone interact. energy: -0.063 local terms energy: -17.565283 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.673 flat angles P-C4'-P energy: -3.976 tors. eta vs tors. theta energy: -1.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -23.016608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.016608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.016608 (E_RNA) where: Base-Base interactions energy: -10.143 where: short stacking energy: -10.143 Base-Backbone interact. energy: -0.005 local terms energy: -12.868487 where: bonds (distance) C4'-P energy: -1.534 bonds (distance) P-C4' energy: -3.131 flat angles C4'-P-C4' energy: -3.721 flat angles P-C4'-P energy: -3.846 tors. eta vs tors. theta energy: -0.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -21.803840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.803840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.803840 (E_RNA) where: Base-Base interactions energy: -4.892 where: short stacking energy: -4.892 Base-Backbone interact. energy: -0.075 local terms energy: -16.836903 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.958 flat angles P-C4'-P energy: -2.291 tors. eta vs tors. theta energy: -0.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -20.199453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.199453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.199453 (E_RNA) where: Base-Base interactions energy: -5.841 where: short stacking energy: -5.841 Base-Backbone interact. energy: 0.802 local terms energy: -15.159701 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.295 flat angles P-C4'-P energy: -3.490 tors. eta vs tors. theta energy: 1.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -17.544504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.544504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.544504 (E_RNA) where: Base-Base interactions energy: -1.137 where: short stacking energy: -1.137 Base-Backbone interact. energy: -0.025 local terms energy: -16.382473 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -2.917 flat angles P-C4'-P energy: -2.355 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: 1, replica: 3 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -24.543182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.543182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.543182 (E_RNA) where: Base-Base interactions energy: -4.771 where: short stacking energy: -4.771 Base-Backbone interact. energy: -0.087 local terms energy: -19.685638 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.309 flat angles P-C4'-P energy: -4.098 tors. eta vs tors. theta energy: -1.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -26.484582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.484582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.484582 (E_RNA) where: Base-Base interactions energy: -8.440 where: short stacking energy: -8.440 Base-Backbone interact. energy: -0.000 local terms energy: -18.044694 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.662 flat angles P-C4'-P energy: -2.095 tors. eta vs tors. theta energy: -2.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -22.282040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.282040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.282040 (E_RNA) where: Base-Base interactions energy: -7.126 where: short stacking energy: -7.126 Base-Backbone interact. energy: -0.100 local terms energy: -15.055626 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.633 flat angles P-C4'-P energy: -2.393 tors. eta vs tors. theta energy: 0.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -26.938723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.938723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.938723 (E_RNA) where: Base-Base interactions energy: -9.944 where: short stacking energy: -9.944 Base-Backbone interact. energy: -0.000 local terms energy: -16.994940 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -2.257 flat angles P-C4'-P energy: -2.941 tors. eta vs tors. theta energy: -3.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -24.840000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.840000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.840000 (E_RNA) where: Base-Base interactions energy: -7.575 where: short stacking energy: -7.575 Base-Backbone interact. energy: -0.006 local terms energy: -17.258486 where: bonds (distance) C4'-P energy: -2.920 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -4.339 flat angles P-C4'-P energy: -4.006 tors. eta vs tors. theta energy: -1.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -24.009623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.009623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.009623 (E_RNA) where: Base-Base interactions energy: -6.972 where: short stacking energy: -7.106 Base-Backbone interact. energy: -0.049 local terms energy: -16.989187 where: bonds (distance) C4'-P energy: -2.988 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.084 flat angles P-C4'-P energy: -3.016 tors. eta vs tors. theta energy: -2.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -23.511817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.511817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.511817 (E_RNA) where: Base-Base interactions energy: -5.147 where: short stacking energy: -5.147 Base-Backbone interact. energy: -0.000 local terms energy: -18.364943 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -3.758 flat angles C4'-P-C4' energy: -3.076 flat angles P-C4'-P energy: -2.980 tors. eta vs tors. theta energy: -4.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -20.891455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.891455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.891455 (E_RNA) where: Base-Base interactions energy: -6.369 where: short stacking energy: -6.369 Base-Backbone interact. energy: -0.001 local terms energy: -14.521535 where: bonds (distance) C4'-P energy: -3.152 bonds (distance) P-C4' energy: -4.867 flat angles C4'-P-C4' energy: -4.203 flat angles P-C4'-P energy: -1.948 tors. eta vs tors. theta energy: -0.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -19.673637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.673637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.673637 (E_RNA) where: Base-Base interactions energy: -2.807 where: short stacking energy: -2.807 Base-Backbone interact. energy: -0.147 local terms energy: -16.719427 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -4.180 flat angles C4'-P-C4' energy: -3.740 flat angles P-C4'-P energy: -3.843 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: 10, replica: 10 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -23.065960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.065960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.065960 (E_RNA) where: Base-Base interactions energy: -5.359 where: short stacking energy: -5.359 Base-Backbone interact. energy: -0.000 local terms energy: -17.707057 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.068 flat angles P-C4'-P energy: -2.618 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: 1, replica: 3 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -26.279343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.279343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.279343 (E_RNA) where: Base-Base interactions energy: -8.033 where: short stacking energy: -8.033 Base-Backbone interact. energy: -0.100 local terms energy: -18.146176 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -3.508 flat angles P-C4'-P energy: -3.644 tors. eta vs tors. theta energy: -2.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -22.758094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.758094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.758094 (E_RNA) where: Base-Base interactions energy: -5.759 where: short stacking energy: -5.759 Base-Backbone interact. energy: -0.100 local terms energy: -16.898473 where: bonds (distance) C4'-P energy: -4.009 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.640 flat angles P-C4'-P energy: -1.716 tors. eta vs tors. theta energy: -2.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -29.825746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.825746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.825746 (E_RNA) where: Base-Base interactions energy: -11.484 where: short stacking energy: -11.484 Base-Backbone interact. energy: -0.073 local terms energy: -18.268611 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.464 flat angles P-C4'-P energy: -2.602 tors. eta vs tors. theta energy: -2.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -29.426680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.426680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.426680 (E_RNA) where: Base-Base interactions energy: -12.202 where: short stacking energy: -12.202 Base-Backbone interact. energy: -0.000 local terms energy: -17.224141 where: bonds (distance) C4'-P energy: -3.161 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -2.898 flat angles P-C4'-P energy: -3.368 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: 379 Temperature: 1.100000 Total energy: -27.067468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.067468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.067468 (E_RNA) where: Base-Base interactions energy: -7.409 where: short stacking energy: -7.409 Base-Backbone interact. energy: -0.000 local terms energy: -19.658927 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -3.845 flat angles C4'-P-C4' energy: -4.383 flat angles P-C4'-P energy: -1.976 tors. eta vs tors. theta energy: -4.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -21.037325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.037325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.037325 (E_RNA) where: Base-Base interactions energy: -6.856 where: short stacking energy: -6.856 Base-Backbone interact. energy: -0.001 local terms energy: -14.180820 where: bonds (distance) C4'-P energy: -2.299 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.507 flat angles P-C4'-P energy: -2.887 tors. eta vs tors. theta energy: -1.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -22.291680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.291680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.291680 (E_RNA) where: Base-Base interactions energy: -4.030 where: short stacking energy: -4.030 Base-Backbone interact. energy: -0.054 local terms energy: -18.207722 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.297 flat angles P-C4'-P energy: -3.468 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: 8, replica: 5 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -23.168412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.168412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.168412 (E_RNA) where: Base-Base interactions energy: -6.497 where: short stacking energy: -6.497 Base-Backbone interact. energy: -0.046 local terms energy: -16.625372 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.104 flat angles C4'-P-C4' energy: -3.527 flat angles P-C4'-P energy: -2.842 tors. eta vs tors. theta energy: -1.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -24.727209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.727209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.727209 (E_RNA) where: Base-Base interactions energy: -7.805 where: short stacking energy: -7.805 Base-Backbone interact. energy: -0.000 local terms energy: -16.922255 where: bonds (distance) C4'-P energy: -3.148 bonds (distance) P-C4' energy: -2.727 flat angles C4'-P-C4' energy: -4.555 flat angles P-C4'-P energy: -3.259 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: 10, replica: 10 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -23.151719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.151719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.151719 (E_RNA) where: Base-Base interactions energy: -10.386 where: short stacking energy: -10.386 Base-Backbone interact. energy: -0.000 local terms energy: -12.765770 where: bonds (distance) C4'-P energy: -1.463 bonds (distance) P-C4' energy: -3.891 flat angles C4'-P-C4' energy: -1.291 flat angles P-C4'-P energy: -3.338 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: 1, replica: 9 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -29.513827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.513827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.513827 (E_RNA) where: Base-Base interactions energy: -9.416 where: short stacking energy: -9.416 Base-Backbone interact. energy: -0.000 local terms energy: -20.097512 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.035 flat angles P-C4'-P energy: -3.623 tors. eta vs tors. theta energy: -3.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -25.618067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.618067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.618067 (E_RNA) where: Base-Base interactions energy: -6.811 where: short stacking energy: -6.811 Base-Backbone interact. energy: -0.000 local terms energy: -18.806749 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.554 flat angles P-C4'-P energy: -2.796 tors. eta vs tors. theta energy: -2.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -22.790637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.790637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.790637 (E_RNA) where: Base-Base interactions energy: -6.170 where: short stacking energy: -6.170 Base-Backbone interact. energy: -0.022 local terms energy: -16.598462 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.171 flat angles P-C4'-P energy: -3.746 tors. eta vs tors. theta energy: -0.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -24.884819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.884819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.884819 (E_RNA) where: Base-Base interactions energy: -7.880 where: short stacking energy: -7.880 Base-Backbone interact. energy: -0.000 local terms energy: -17.004423 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -3.987 flat angles C4'-P-C4' energy: -4.485 flat angles P-C4'-P energy: -2.352 tors. eta vs tors. theta energy: -2.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -24.660056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.660056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.660056 (E_RNA) where: Base-Base interactions energy: -6.394 where: short stacking energy: -6.394 Base-Backbone interact. energy: -0.000 local terms energy: -18.265766 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.536 flat angles P-C4'-P energy: -3.511 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: 6, replica: 1 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -30.435337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.435337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.435337 (E_RNA) where: Base-Base interactions energy: -10.665 where: short stacking energy: -10.665 Base-Backbone interact. energy: -0.000 local terms energy: -19.770042 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.994 flat angles P-C4'-P energy: -3.644 tors. eta vs tors. theta energy: -3.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -24.746770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.746770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.746770 (E_RNA) where: Base-Base interactions energy: -7.488 where: short stacking energy: -7.488 Base-Backbone interact. energy: -0.000 local terms energy: -17.259080 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.641 flat angles P-C4'-P energy: -1.855 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: 8, replica: 5 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -22.807653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.807653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.807653 (E_RNA) where: Base-Base interactions energy: -7.566 where: short stacking energy: -7.566 Base-Backbone interact. energy: -0.001 local terms energy: -15.241045 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.384 flat angles P-C4'-P energy: -1.996 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: 9, replica: 10 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -21.166210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.166210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.166210 (E_RNA) where: Base-Base interactions energy: -6.508 where: short stacking energy: -6.508 Base-Backbone interact. energy: -0.000 local terms energy: -14.658638 where: bonds (distance) C4'-P energy: -4.009 bonds (distance) P-C4' energy: -3.790 flat angles C4'-P-C4' energy: -3.506 flat angles P-C4'-P energy: -0.971 tors. eta vs tors. theta energy: -2.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -20.768930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.768930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.768930 (E_RNA) where: Base-Base interactions energy: -6.482 where: short stacking energy: -6.482 Base-Backbone interact. energy: -0.399 local terms energy: -13.887576 where: bonds (distance) C4'-P energy: -3.939 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -1.449 flat angles P-C4'-P energy: -1.041 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: 1, replica: 9 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -29.694937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.694937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.694937 (E_RNA) where: Base-Base interactions energy: -12.147 where: short stacking energy: -12.147 Base-Backbone interact. energy: -0.004 local terms energy: -17.543362 where: bonds (distance) C4'-P energy: -4.171 bonds (distance) P-C4' energy: -3.548 flat angles C4'-P-C4' energy: -4.433 flat angles P-C4'-P energy: -2.795 tors. eta vs tors. theta energy: -2.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -26.573003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.573003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.573003 (E_RNA) where: Base-Base interactions energy: -7.473 where: short stacking energy: -7.473 Base-Backbone interact. energy: -0.049 local terms energy: -19.051039 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.912 flat angles P-C4'-P energy: -2.879 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: 3, replica: 4 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -24.554718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.554718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.554718 (E_RNA) where: Base-Base interactions energy: -6.894 where: short stacking energy: -6.894 Base-Backbone interact. energy: -0.003 local terms energy: -17.657028 where: bonds (distance) C4'-P energy: -1.190 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.574 flat angles P-C4'-P energy: -3.950 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: 4, replica: 2 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -26.757264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.757264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.757264 (E_RNA) where: Base-Base interactions energy: -9.336 where: short stacking energy: -9.336 Base-Backbone interact. energy: -0.000 local terms energy: -17.421326 where: bonds (distance) C4'-P energy: -3.036 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.222 flat angles P-C4'-P energy: -0.887 tors. eta vs tors. theta energy: -4.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -24.540387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.540387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.540387 (E_RNA) where: Base-Base interactions energy: -9.451 where: short stacking energy: -9.451 Base-Backbone interact. energy: -1.128 local terms energy: -13.961445 where: bonds (distance) C4'-P energy: -2.805 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -2.344 flat angles P-C4'-P energy: -3.430 tors. eta vs tors. theta energy: -0.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -22.548022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.548022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.548022 (E_RNA) where: Base-Base interactions energy: -5.608 where: short stacking energy: -5.608 Base-Backbone interact. energy: -0.000 local terms energy: -16.940165 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.510 flat angles P-C4'-P energy: -2.215 tors. eta vs tors. theta energy: -0.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -27.420046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.420046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.420046 (E_RNA) where: Base-Base interactions energy: -9.910 where: short stacking energy: -9.910 Base-Backbone interact. energy: -0.000 local terms energy: -17.509579 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.249 flat angles P-C4'-P energy: -0.585 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: 8, replica: 10 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -22.402104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.402104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.402104 (E_RNA) where: Base-Base interactions energy: -5.559 where: short stacking energy: -4.343 Base-Backbone interact. energy: -1.321 local terms energy: -15.522717 where: bonds (distance) C4'-P energy: -3.136 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -2.418 flat angles P-C4'-P energy: -3.545 tors. eta vs tors. theta energy: -1.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -20.024167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.024167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.024167 (E_RNA) where: Base-Base interactions energy: -2.891 where: short stacking energy: -2.891 Base-Backbone interact. energy: 0.704 local terms energy: -17.837386 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.095 flat angles P-C4'-P energy: -3.050 tors. eta vs tors. theta energy: -2.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -24.008529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.008529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.008529 (E_RNA) where: Base-Base interactions energy: -7.361 where: short stacking energy: -7.361 Base-Backbone interact. energy: -0.015 local terms energy: -16.631973 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -3.391 flat angles P-C4'-P energy: -2.816 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: 1, replica: 3 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -28.008152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.008152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.008152 (E_RNA) where: Base-Base interactions energy: -8.022 where: short stacking energy: -8.022 Base-Backbone interact. energy: -0.000 local terms energy: -19.985772 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.421 flat angles P-C4'-P energy: -3.075 tors. eta vs tors. theta energy: -3.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -25.771812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.771812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.771812 (E_RNA) where: Base-Base interactions energy: -7.498 where: short stacking energy: -7.498 Base-Backbone interact. energy: -0.000 local terms energy: -18.273809 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.564 flat angles P-C4'-P energy: -2.206 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: 3, replica: 2 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -28.491393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.491393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.491393 (E_RNA) where: Base-Base interactions energy: -9.026 where: short stacking energy: -9.026 Base-Backbone interact. energy: -0.000 local terms energy: -19.465506 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.098 flat angles P-C4'-P energy: -3.422 tors. eta vs tors. theta energy: -3.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -23.581440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.581440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.581440 (E_RNA) where: Base-Base interactions energy: -7.547 where: short stacking energy: -7.547 Base-Backbone interact. energy: -0.000 local terms energy: -16.034734 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.468 flat angles P-C4'-P energy: -2.435 tors. eta vs tors. theta energy: -1.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -24.076306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.076306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.076306 (E_RNA) where: Base-Base interactions energy: -8.842 where: short stacking energy: -8.842 Base-Backbone interact. energy: -0.011 local terms energy: -15.223130 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.201 flat angles P-C4'-P energy: -1.727 tors. eta vs tors. theta energy: -0.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -21.205446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.205446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.205446 (E_RNA) where: Base-Base interactions energy: -3.736 where: short stacking energy: -3.736 Base-Backbone interact. energy: -0.000 local terms energy: -17.469057 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.161 flat angles P-C4'-P energy: -1.808 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: 7, replica: 10 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -22.970305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.970305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.970305 (E_RNA) where: Base-Base interactions energy: -7.581 where: short stacking energy: -7.581 Base-Backbone interact. energy: -0.000 local terms energy: -15.389511 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -3.969 flat angles C4'-P-C4' energy: -4.383 flat angles P-C4'-P energy: 1.068 tors. eta vs tors. theta energy: -4.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -26.607153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.607153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.607153 (E_RNA) where: Base-Base interactions energy: -10.004 where: short stacking energy: -10.004 Base-Backbone interact. energy: -0.000 local terms energy: -16.603483 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.435 flat angles P-C4'-P energy: -1.113 tors. eta vs tors. theta energy: -3.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -24.538423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.538423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.538423 (E_RNA) where: Base-Base interactions energy: -7.071 where: short stacking energy: -7.071 Base-Backbone interact. energy: -0.001 local terms energy: -17.465910 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -3.642 flat angles P-C4'-P energy: -3.654 tors. eta vs tors. theta energy: -0.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -19.693878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.693878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.693878 (E_RNA) where: Base-Base interactions energy: -2.901 where: short stacking energy: -2.901 Base-Backbone interact. energy: -0.000 local terms energy: -16.792679 where: bonds (distance) C4'-P energy: -3.583 bonds (distance) P-C4' energy: -4.044 flat angles C4'-P-C4' energy: -3.849 flat angles P-C4'-P energy: -3.355 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: 1, replica: 3 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -27.466693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.466693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.466693 (E_RNA) where: Base-Base interactions energy: -9.720 where: short stacking energy: -9.720 Base-Backbone interact. energy: -0.001 local terms energy: -17.745681 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -2.707 flat angles P-C4'-P energy: -3.040 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: 383 Temperature: 0.950000 Total energy: -27.525318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.525318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.525318 (E_RNA) where: Base-Base interactions energy: -8.045 where: short stacking energy: -8.045 Base-Backbone interact. energy: -0.000 local terms energy: -19.480375 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.752 flat angles P-C4'-P energy: -3.606 tors. eta vs tors. theta energy: -1.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -24.835570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.835570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.835570 (E_RNA) where: Base-Base interactions energy: -5.814 where: short stacking energy: -5.814 Base-Backbone interact. energy: -0.000 local terms energy: -19.021845 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.117 flat angles P-C4'-P energy: -2.872 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: 4, replica: 4 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -22.009617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.009617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.009617 (E_RNA) where: Base-Base interactions energy: -6.605 where: short stacking energy: -6.605 Base-Backbone interact. energy: -0.000 local terms energy: -15.404406 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -3.557 flat angles C4'-P-C4' energy: -4.589 flat angles P-C4'-P energy: -1.917 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: 5, replica: 8 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -24.886239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.886239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.886239 (E_RNA) where: Base-Base interactions energy: -7.298 where: short stacking energy: -7.298 Base-Backbone interact. energy: -0.000 local terms energy: -17.588628 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.111 flat angles P-C4'-P energy: -1.578 tors. eta vs tors. theta energy: -3.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -20.489946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.489946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.489946 (E_RNA) where: Base-Base interactions energy: -6.741 where: short stacking energy: -6.741 Base-Backbone interact. energy: -0.264 local terms energy: -13.484768 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -4.441 flat angles C4'-P-C4' energy: -3.346 flat angles P-C4'-P energy: -0.696 tors. eta vs tors. theta energy: -0.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -22.548417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.548417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.548417 (E_RNA) where: Base-Base interactions energy: -8.528 where: short stacking energy: -8.528 Base-Backbone interact. energy: -0.000 local terms energy: -14.020733 where: bonds (distance) C4'-P energy: -3.036 bonds (distance) P-C4' energy: -4.343 flat angles C4'-P-C4' energy: -3.642 flat angles P-C4'-P energy: -0.991 tors. eta vs tors. theta energy: -2.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -24.970694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.970694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.970694 (E_RNA) where: Base-Base interactions energy: -10.014 where: short stacking energy: -10.014 Base-Backbone interact. energy: -0.001 local terms energy: -14.955596 where: bonds (distance) C4'-P energy: -2.209 bonds (distance) P-C4' energy: -3.784 flat angles C4'-P-C4' energy: -4.169 flat angles P-C4'-P energy: -2.336 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: 9, replica: 1 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -21.924978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.924978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.924978 (E_RNA) where: Base-Base interactions energy: -2.743 where: short stacking energy: -2.743 Base-Backbone interact. energy: -0.000 local terms energy: -19.181960 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -3.885 flat angles C4'-P-C4' energy: -4.732 flat angles P-C4'-P energy: -3.739 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: 10, replica: 6 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -24.640469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.640469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.640469 (E_RNA) where: Base-Base interactions energy: -5.789 where: short stacking energy: -5.789 Base-Backbone interact. energy: -0.000 local terms energy: -18.851156 where: bonds (distance) C4'-P energy: -4.427 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -4.042 flat angles P-C4'-P energy: -2.827 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: 1, replica: 2 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -29.532769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.532769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.532769 (E_RNA) where: Base-Base interactions energy: -11.007 where: short stacking energy: -11.007 Base-Backbone interact. energy: -0.002 local terms energy: -18.524490 where: bonds (distance) C4'-P energy: -3.861 bonds (distance) P-C4' energy: -4.311 flat angles C4'-P-C4' energy: -3.744 flat angles P-C4'-P energy: -3.708 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: 2, replica: 3 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -30.091906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.091906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.091906 (E_RNA) where: Base-Base interactions energy: -11.342 where: short stacking energy: -11.342 Base-Backbone interact. energy: -0.000 local terms energy: -18.749924 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -3.274 flat angles C4'-P-C4' energy: -4.357 flat angles P-C4'-P energy: -2.769 tors. eta vs tors. theta energy: -4.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -25.376045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.376045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.376045 (E_RNA) where: Base-Base interactions energy: -7.493 where: short stacking energy: -7.493 Base-Backbone interact. energy: -0.082 local terms energy: -17.800975 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.150 flat angles P-C4'-P energy: -3.013 tors. eta vs tors. theta energy: -1.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -27.987896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.987896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.987896 (E_RNA) where: Base-Base interactions energy: -10.652 where: short stacking energy: -10.652 Base-Backbone interact. energy: -0.000 local terms energy: -17.336161 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -2.608 flat angles P-C4'-P energy: -3.170 tors. eta vs tors. theta energy: -2.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -22.305073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.305073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.305073 (E_RNA) where: Base-Base interactions energy: -4.621 where: short stacking energy: -4.621 Base-Backbone interact. energy: -0.168 local terms energy: -17.515974 where: bonds (distance) C4'-P energy: -4.448 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.641 flat angles P-C4'-P energy: -3.947 tors. eta vs tors. theta energy: -0.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -22.820489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.820489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.820489 (E_RNA) where: Base-Base interactions energy: -7.458 where: short stacking energy: -7.458 Base-Backbone interact. energy: -0.042 local terms energy: -15.320601 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -3.553 flat angles C4'-P-C4' energy: -4.452 flat angles P-C4'-P energy: -2.316 tors. eta vs tors. theta energy: -1.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -22.532261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.532261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.532261 (E_RNA) where: Base-Base interactions energy: -4.215 where: short stacking energy: -4.215 Base-Backbone interact. energy: -0.098 local terms energy: -18.219953 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.903 flat angles P-C4'-P energy: -3.263 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: 7 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -20.188021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.188021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.188021 (E_RNA) where: Base-Base interactions energy: -4.285 where: short stacking energy: -4.285 Base-Backbone interact. energy: -0.219 local terms energy: -15.684668 where: bonds (distance) C4'-P energy: -2.415 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.737 flat angles P-C4'-P energy: -3.430 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: 6 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -22.477626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.477626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.477626 (E_RNA) where: Base-Base interactions energy: -7.328 where: short stacking energy: -7.328 Base-Backbone interact. energy: -0.000 local terms energy: -15.149653 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.212 flat angles P-C4'-P energy: -1.612 tors. eta vs tors. theta energy: -1.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -21.162755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.162755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.162755 (E_RNA) where: Base-Base interactions energy: -6.850 where: short stacking energy: -6.850 Base-Backbone interact. energy: -0.060 local terms energy: -14.253124 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -3.966 flat angles C4'-P-C4' energy: -3.667 flat angles P-C4'-P energy: -2.689 tors. eta vs tors. theta energy: -0.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -24.000443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.000443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.000443 (E_RNA) where: Base-Base interactions energy: -7.679 where: short stacking energy: -7.679 Base-Backbone interact. energy: -0.000 local terms energy: -16.321517 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.799 flat angles P-C4'-P energy: -1.848 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: 2, replica: 4 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -24.411250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.411250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.411250 (E_RNA) where: Base-Base interactions energy: -7.616 where: short stacking energy: -7.616 Base-Backbone interact. energy: -0.005 local terms energy: -16.790357 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.295 flat angles P-C4'-P energy: -3.418 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: 3, replica: 3 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -25.709556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.709556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.709556 (E_RNA) where: Base-Base interactions energy: -11.147 where: short stacking energy: -11.147 Base-Backbone interact. energy: -0.000 local terms energy: -14.562723 where: bonds (distance) C4'-P energy: -2.580 bonds (distance) P-C4' energy: -3.969 flat angles C4'-P-C4' energy: -2.571 flat angles P-C4'-P energy: -2.960 tors. eta vs tors. theta energy: -2.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -24.441252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.441252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.441252 (E_RNA) where: Base-Base interactions energy: -6.571 where: short stacking energy: -6.571 Base-Backbone interact. energy: -0.000 local terms energy: -17.869523 where: bonds (distance) C4'-P energy: -3.869 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.250 flat angles P-C4'-P energy: -2.335 tors. eta vs tors. theta energy: -3.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -24.270336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.270336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.270336 (E_RNA) where: Base-Base interactions energy: -7.065 where: short stacking energy: -7.065 Base-Backbone interact. energy: -0.000 local terms energy: -17.205348 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.572 flat angles C4'-P-C4' energy: -4.676 flat angles P-C4'-P energy: -3.170 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: 6, replica: 5 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -29.695167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.695167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.695167 (E_RNA) where: Base-Base interactions energy: -11.761 where: short stacking energy: -11.761 Base-Backbone interact. energy: -0.001 local terms energy: -17.933076 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -2.887 flat angles P-C4'-P energy: -3.241 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: 7, replica: 8 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -21.785115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.785115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.785115 (E_RNA) where: Base-Base interactions energy: -7.429 where: short stacking energy: -7.429 Base-Backbone interact. energy: -0.035 local terms energy: -14.321335 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -3.128 flat angles C4'-P-C4' energy: -3.663 flat angles P-C4'-P energy: -3.462 tors. eta vs tors. theta energy: 0.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -26.959390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.959390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.959390 (E_RNA) where: Base-Base interactions energy: -9.849 where: short stacking energy: -9.849 Base-Backbone interact. energy: -0.000 local terms energy: -17.110597 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.131 flat angles P-C4'-P energy: -2.004 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: 7 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -26.631618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.631618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.631618 (E_RNA) where: Base-Base interactions energy: -9.941 where: short stacking energy: -9.941 Base-Backbone interact. energy: -0.000 local terms energy: -16.690395 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -2.842 flat angles C4'-P-C4' energy: -3.780 flat angles P-C4'-P energy: -3.325 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: 10, replica: 1 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -21.569501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.569501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.569501 (E_RNA) where: Base-Base interactions energy: -7.352 where: short stacking energy: -7.352 Base-Backbone interact. energy: -0.004 local terms energy: -14.213576 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -3.321 flat angles C4'-P-C4' energy: -4.104 flat angles P-C4'-P energy: -1.780 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: 4 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -26.412267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.412267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.412267 (E_RNA) where: Base-Base interactions energy: -6.754 where: short stacking energy: -6.754 Base-Backbone interact. energy: -0.000 local terms energy: -19.658048 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.413 flat angles P-C4'-P energy: -3.936 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: 2, replica: 2 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -24.517967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.517967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.517967 (E_RNA) where: Base-Base interactions energy: -5.349 where: short stacking energy: -5.349 Base-Backbone interact. energy: -0.000 local terms energy: -19.169007 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.839 flat angles C4'-P-C4' energy: -4.032 flat angles P-C4'-P energy: -3.824 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: 3, replica: 10 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -23.424233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.424233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.424233 (E_RNA) where: Base-Base interactions energy: -6.848 where: short stacking energy: -6.848 Base-Backbone interact. energy: -0.000 local terms energy: -16.576659 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.131 flat angles P-C4'-P energy: -2.389 tors. eta vs tors. theta energy: -0.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -24.697554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.697554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.697554 (E_RNA) where: Base-Base interactions energy: -6.684 where: short stacking energy: -6.684 Base-Backbone interact. energy: -0.002 local terms energy: -18.011305 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.397 flat angles P-C4'-P energy: -2.744 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: 5 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -22.497379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.497379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.497379 (E_RNA) where: Base-Base interactions energy: -8.393 where: short stacking energy: -8.393 Base-Backbone interact. energy: -0.000 local terms energy: -14.104457 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -1.258 flat angles P-C4'-P energy: -1.873 tors. eta vs tors. theta energy: -1.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -25.247945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.247945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.247945 (E_RNA) where: Base-Base interactions energy: -8.980 where: short stacking energy: -8.980 Base-Backbone interact. energy: -0.000 local terms energy: -16.267552 where: bonds (distance) C4'-P energy: -2.913 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.970 flat angles P-C4'-P energy: -2.526 tors. eta vs tors. theta energy: -1.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -19.573049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.573049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.573049 (E_RNA) where: Base-Base interactions energy: -4.223 where: short stacking energy: -4.223 Base-Backbone interact. energy: -0.000 local terms energy: -15.350362 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -4.059 flat angles P-C4'-P energy: -3.284 tors. eta vs tors. theta energy: -0.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -21.565213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.565213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.565213 (E_RNA) where: Base-Base interactions energy: -6.319 where: short stacking energy: -6.319 Base-Backbone interact. energy: -0.000 local terms energy: -15.246473 where: bonds (distance) C4'-P energy: -2.954 bonds (distance) P-C4' energy: -3.364 flat angles C4'-P-C4' energy: -3.337 flat angles P-C4'-P energy: -2.923 tors. eta vs tors. theta energy: -2.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -22.221614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.221614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.221614 (E_RNA) where: Base-Base interactions energy: -4.633 where: short stacking energy: -4.633 Base-Backbone interact. energy: -0.000 local terms energy: -17.588671 where: bonds (distance) C4'-P energy: -2.689 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.305 flat angles P-C4'-P energy: -2.354 tors. eta vs tors. theta energy: -3.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -20.501847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.501847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.501847 (E_RNA) where: Base-Base interactions energy: -0.771 where: short stacking energy: -0.771 Base-Backbone interact. energy: -0.000 local terms energy: -19.731309 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.025 flat angles P-C4'-P energy: -3.674 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: 1, replica: 4 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -30.292538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.292538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.292538 (E_RNA) where: Base-Base interactions energy: -11.291 where: short stacking energy: -11.291 Base-Backbone interact. energy: -0.000 local terms energy: -19.001107 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.274 flat angles C4'-P-C4' energy: -4.489 flat angles P-C4'-P energy: -3.214 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: 2, replica: 10 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -30.402957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.402957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.402957 (E_RNA) where: Base-Base interactions energy: -11.096 where: short stacking energy: -11.096 Base-Backbone interact. energy: -0.000 local terms energy: -19.307269 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -3.889 flat angles C4'-P-C4' energy: -4.290 flat angles P-C4'-P energy: -3.865 tors. eta vs tors. theta energy: -3.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -23.985466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.985466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.985466 (E_RNA) where: Base-Base interactions energy: -7.053 where: short stacking energy: -7.053 Base-Backbone interact. energy: -0.000 local terms energy: -16.932048 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.970 flat angles P-C4'-P energy: -3.606 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: 4, replica: 5 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -25.430764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.430764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.430764 (E_RNA) where: Base-Base interactions energy: -8.119 where: short stacking energy: -8.119 Base-Backbone interact. energy: -0.000 local terms energy: -17.311567 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.567 flat angles P-C4'-P energy: -1.327 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: 3 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -28.683659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.683659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.683659 (E_RNA) where: Base-Base interactions energy: -7.531 where: short stacking energy: -7.531 Base-Backbone interact. energy: -0.000 local terms energy: -21.152836 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -4.732 flat angles P-C4'-P energy: -3.908 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: 387 Temperature: 1.150000 Total energy: -21.995838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.995838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.995838 (E_RNA) where: Base-Base interactions energy: -5.929 where: short stacking energy: -5.929 Base-Backbone interact. energy: -0.002 local terms energy: -16.064425 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.104 flat angles C4'-P-C4' energy: -4.585 flat angles P-C4'-P energy: -2.169 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: 7, replica: 9 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -22.399532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.399532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.399532 (E_RNA) where: Base-Base interactions energy: -6.470 where: short stacking energy: -6.470 Base-Backbone interact. energy: -0.000 local terms energy: -15.929185 where: bonds (distance) C4'-P energy: -4.742 bonds (distance) P-C4' energy: -1.054 flat angles C4'-P-C4' energy: -4.716 flat angles P-C4'-P energy: -2.829 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: 8, replica: 7 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -20.700654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.700654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.700654 (E_RNA) where: Base-Base interactions energy: -5.562 where: short stacking energy: -5.562 Base-Backbone interact. energy: -0.000 local terms energy: -15.138362 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -3.553 flat angles C4'-P-C4' energy: -3.173 flat angles P-C4'-P energy: -3.036 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: 8 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -21.872078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.872078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.872078 (E_RNA) where: Base-Base interactions energy: -7.744 where: short stacking energy: -7.744 Base-Backbone interact. energy: -0.000 local terms energy: -14.128199 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -1.863 flat angles P-C4'-P energy: -2.301 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: 10, replica: 1 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -20.100138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.100138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.100138 (E_RNA) where: Base-Base interactions energy: -4.465 where: short stacking energy: -4.465 Base-Backbone interact. energy: -0.080 local terms energy: -15.555596 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.341 flat angles P-C4'-P energy: -2.974 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: 1, replica: 4 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -31.788364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.788364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.788364 (E_RNA) where: Base-Base interactions energy: -11.900 where: short stacking energy: -11.900 Base-Backbone interact. energy: -0.000 local terms energy: -19.888348 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.326 flat angles P-C4'-P energy: -3.469 tors. eta vs tors. theta energy: -3.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -25.371923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.371923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.371923 (E_RNA) where: Base-Base interactions energy: -8.496 where: short stacking energy: -8.496 Base-Backbone interact. energy: -0.000 local terms energy: -16.875774 where: bonds (distance) C4'-P energy: -2.271 bonds (distance) P-C4' energy: -3.786 flat angles C4'-P-C4' energy: -4.746 flat angles P-C4'-P energy: -2.469 tors. eta vs tors. theta energy: -3.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -22.444427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.444427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.444427 (E_RNA) where: Base-Base interactions energy: -6.327 where: short stacking energy: -6.327 Base-Backbone interact. energy: -0.098 local terms energy: -16.018985 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -4.836 flat angles P-C4'-P energy: -2.346 tors. eta vs tors. theta energy: -0.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -26.440137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.440137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.440137 (E_RNA) where: Base-Base interactions energy: -9.392 where: short stacking energy: -9.392 Base-Backbone interact. energy: -0.075 local terms energy: -16.972721 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.037 flat angles P-C4'-P energy: -1.560 tors. eta vs tors. theta energy: -2.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -24.622513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.622513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.622513 (E_RNA) where: Base-Base interactions energy: -6.597 where: short stacking energy: -6.597 Base-Backbone interact. energy: -0.000 local terms energy: -18.025032 where: bonds (distance) C4'-P energy: -2.556 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.519 flat angles P-C4'-P energy: -1.841 tors. eta vs tors. theta energy: -4.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -25.552895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.552895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.552895 (E_RNA) where: Base-Base interactions energy: -7.559 where: short stacking energy: -7.559 Base-Backbone interact. energy: -0.000 local terms energy: -17.994163 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -3.919 flat angles C4'-P-C4' energy: -3.811 flat angles P-C4'-P energy: -3.235 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: 7, replica: 7 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -21.330485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.330485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.330485 (E_RNA) where: Base-Base interactions energy: -4.827 where: short stacking energy: -4.827 Base-Backbone interact. energy: -0.017 local terms energy: -16.486217 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.481 flat angles P-C4'-P energy: -2.258 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: 8, replica: 9 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -22.388851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.388851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.388851 (E_RNA) where: Base-Base interactions energy: -5.707 where: short stacking energy: -5.707 Base-Backbone interact. energy: -0.000 local terms energy: -16.681526 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.354 flat angles P-C4'-P energy: -1.114 tors. eta vs tors. theta energy: -2.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -23.072448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.072448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.072448 (E_RNA) where: Base-Base interactions energy: -4.284 where: short stacking energy: -4.284 Base-Backbone interact. energy: -0.034 local terms energy: -18.754327 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.633 flat angles P-C4'-P energy: -3.497 tors. eta vs tors. theta energy: -1.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -23.567459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.567459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.567459 (E_RNA) where: Base-Base interactions energy: -7.658 where: short stacking energy: -7.658 Base-Backbone interact. energy: -0.000 local terms energy: -15.908962 where: bonds (distance) C4'-P energy: -2.804 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -2.593 flat angles P-C4'-P energy: -3.690 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: 4 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -26.579676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.579676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.579676 (E_RNA) where: Base-Base interactions energy: -8.907 where: short stacking energy: -8.907 Base-Backbone interact. energy: -0.000 local terms energy: -17.673004 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -3.340 flat angles P-C4'-P energy: -2.639 tors. eta vs tors. theta energy: -3.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -24.141256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.141256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.141256 (E_RNA) where: Base-Base interactions energy: -7.997 where: short stacking energy: -7.997 Base-Backbone interact. energy: -0.007 local terms energy: -16.137597 where: bonds (distance) C4'-P energy: -4.535 bonds (distance) P-C4' energy: -4.392 flat angles C4'-P-C4' energy: -4.466 flat angles P-C4'-P energy: -1.839 tors. eta vs tors. theta energy: -0.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -24.265633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.265633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.265633 (E_RNA) where: Base-Base interactions energy: -4.507 where: short stacking energy: -4.507 Base-Backbone interact. energy: -0.100 local terms energy: -19.659411 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.434 flat angles P-C4'-P energy: -3.388 tors. eta vs tors. theta energy: -2.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -27.224977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.224977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.224977 (E_RNA) where: Base-Base interactions energy: -7.093 where: short stacking energy: -7.093 Base-Backbone interact. energy: -0.000 local terms energy: -20.132333 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.279 flat angles P-C4'-P energy: -3.746 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: 6 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -24.114067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.114067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.114067 (E_RNA) where: Base-Base interactions energy: -8.230 where: short stacking energy: -8.230 Base-Backbone interact. energy: -0.002 local terms energy: -15.881464 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.325 flat angles P-C4'-P energy: -2.666 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: 6, replica: 7 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -21.630098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.630098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.630098 (E_RNA) where: Base-Base interactions energy: -6.739 where: short stacking energy: -6.739 Base-Backbone interact. energy: -0.000 local terms energy: -14.890906 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.876 flat angles P-C4'-P energy: -0.940 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: 7, replica: 3 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -23.219790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.219790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.219790 (E_RNA) where: Base-Base interactions energy: -9.368 where: short stacking energy: -9.368 Base-Backbone interact. energy: -0.016 local terms energy: -13.836551 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -2.413 flat angles C4'-P-C4' energy: -4.335 flat angles P-C4'-P energy: -2.305 tors. eta vs tors. theta energy: -1.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -21.843671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.843671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.843671 (E_RNA) where: Base-Base interactions energy: -6.330 where: short stacking energy: -6.330 Base-Backbone interact. energy: -0.021 local terms energy: -15.492839 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.305 flat angles P-C4'-P energy: -0.864 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: 9, replica: 9 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -18.725511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.725511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.725511 (E_RNA) where: Base-Base interactions energy: -3.744 where: short stacking energy: -3.744 Base-Backbone interact. energy: -0.051 local terms energy: -14.930509 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.062 flat angles P-C4'-P energy: -2.291 tors. eta vs tors. theta energy: -0.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -21.194864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.194864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.194864 (E_RNA) where: Base-Base interactions energy: -4.324 where: short stacking energy: -4.324 Base-Backbone interact. energy: -0.000 local terms energy: -16.871029 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.647 flat angles P-C4'-P energy: -2.943 tors. eta vs tors. theta energy: 0.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -25.012870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.012870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.012870 (E_RNA) where: Base-Base interactions energy: -8.293 where: short stacking energy: -8.293 Base-Backbone interact. energy: 0.094 local terms energy: -16.813493 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.045 flat angles P-C4'-P energy: -3.892 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: 2, replica: 4 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -25.083263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.083263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.083263 (E_RNA) where: Base-Base interactions energy: -8.679 where: short stacking energy: -8.679 Base-Backbone interact. energy: 0.509 local terms energy: -16.912980 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -3.837 flat angles P-C4'-P energy: -3.637 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: 3, replica: 5 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -25.593402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.593402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.593402 (E_RNA) where: Base-Base interactions energy: -6.081 where: short stacking energy: -6.081 Base-Backbone interact. energy: -0.000 local terms energy: -19.512583 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -3.683 flat angles C4'-P-C4' energy: -4.731 flat angles P-C4'-P energy: -3.234 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: 4, replica: 10 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -26.172232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.172232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.172232 (E_RNA) where: Base-Base interactions energy: -7.957 where: short stacking energy: -7.957 Base-Backbone interact. energy: -0.100 local terms energy: -18.114846 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.358 flat angles P-C4'-P energy: -1.724 tors. eta vs tors. theta energy: -3.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -24.344648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.344648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.344648 (E_RNA) where: Base-Base interactions energy: -8.036 where: short stacking energy: -8.036 Base-Backbone interact. energy: -0.064 local terms energy: -16.244741 where: bonds (distance) C4'-P energy: -3.566 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.215 flat angles P-C4'-P energy: -1.707 tors. eta vs tors. theta energy: -1.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -25.961528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.961528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.961528 (E_RNA) where: Base-Base interactions energy: -8.120 where: short stacking energy: -8.120 Base-Backbone interact. energy: -0.000 local terms energy: -17.841646 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -2.518 flat angles P-C4'-P energy: -4.014 tors. eta vs tors. theta energy: -1.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -21.276661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.276661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.276661 (E_RNA) where: Base-Base interactions energy: -2.828 where: short stacking energy: -2.828 Base-Backbone interact. energy: -0.000 local terms energy: -18.448631 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.170 flat angles P-C4'-P energy: -1.440 tors. eta vs tors. theta energy: -3.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -22.161213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.161213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.161213 (E_RNA) where: Base-Base interactions energy: -7.941 where: short stacking energy: -7.941 Base-Backbone interact. energy: -0.000 local terms energy: -14.220356 where: bonds (distance) C4'-P energy: -2.804 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -3.411 flat angles P-C4'-P energy: -1.913 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: 9, replica: 8 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -20.761446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.761446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.761446 (E_RNA) where: Base-Base interactions energy: -4.439 where: short stacking energy: -4.439 Base-Backbone interact. energy: -0.070 local terms energy: -16.252323 where: bonds (distance) C4'-P energy: -3.185 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.303 flat angles P-C4'-P energy: -3.702 tors. eta vs tors. theta energy: -1.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -21.204814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.204814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.204814 (E_RNA) where: Base-Base interactions energy: -6.514 where: short stacking energy: -6.514 Base-Backbone interact. energy: -0.000 local terms energy: -14.691147 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -2.386 flat angles C4'-P-C4' energy: -3.481 flat angles P-C4'-P energy: -3.624 tors. eta vs tors. theta energy: -1.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -27.303317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.303317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.303317 (E_RNA) where: Base-Base interactions energy: -8.627 where: short stacking energy: -8.627 Base-Backbone interact. energy: -0.000 local terms energy: -18.676187 where: bonds (distance) C4'-P energy: -3.036 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.046 flat angles P-C4'-P energy: -3.616 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: 2, replica: 5 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -29.534376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.534376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.534376 (E_RNA) where: Base-Base interactions energy: -11.304 where: short stacking energy: -11.304 Base-Backbone interact. energy: -0.007 local terms energy: -18.223090 where: bonds (distance) C4'-P energy: -1.852 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.530 flat angles P-C4'-P energy: -2.656 tors. eta vs tors. theta energy: -3.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -28.775974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.775974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.775974 (E_RNA) where: Base-Base interactions energy: -9.005 where: short stacking energy: -9.005 Base-Backbone interact. energy: -0.000 local terms energy: -19.770512 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -4.413 flat angles C4'-P-C4' energy: -3.319 flat angles P-C4'-P energy: -3.363 tors. eta vs tors. theta energy: -5.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -20.675032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.675032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.675032 (E_RNA) where: Base-Base interactions energy: -4.405 where: short stacking energy: -4.405 Base-Backbone interact. energy: -0.063 local terms energy: -16.206981 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.798 flat angles P-C4'-P energy: -3.740 tors. eta vs tors. theta energy: 0.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -20.197363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.197363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.197363 (E_RNA) where: Base-Base interactions energy: -3.503 where: short stacking energy: -3.537 Base-Backbone interact. energy: -0.041 local terms energy: -16.653732 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.220 flat angles P-C4'-P energy: -3.208 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: 6, replica: 6 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -24.413969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.413969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.413969 (E_RNA) where: Base-Base interactions energy: -7.828 where: short stacking energy: -7.828 Base-Backbone interact. energy: -0.000 local terms energy: -16.585640 where: bonds (distance) C4'-P energy: -2.830 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.296 flat angles P-C4'-P energy: -1.079 tors. eta vs tors. theta energy: -4.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -21.868517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.868517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.868517 (E_RNA) where: Base-Base interactions energy: -10.524 where: short stacking energy: -10.727 Base-Backbone interact. energy: -0.003 local terms energy: -11.341429 where: bonds (distance) C4'-P energy: -3.406 bonds (distance) P-C4' energy: -4.413 flat angles C4'-P-C4' energy: -0.046 flat angles P-C4'-P energy: -2.017 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: 8, replica: 8 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -20.664262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.664262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.664262 (E_RNA) where: Base-Base interactions energy: -3.565 where: short stacking energy: -3.565 Base-Backbone interact. energy: -0.000 local terms energy: -17.098706 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -3.839 flat angles P-C4'-P energy: -3.287 tors. eta vs tors. theta energy: -0.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -23.148499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.148499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.148499 (E_RNA) where: Base-Base interactions energy: -7.191 where: short stacking energy: -7.191 Base-Backbone interact. energy: -0.000 local terms energy: -15.956633 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -3.296 flat angles C4'-P-C4' energy: -3.756 flat angles P-C4'-P energy: -2.344 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: 10, replica: 9 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -24.408398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.408398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.408398 (E_RNA) where: Base-Base interactions energy: -10.000 where: short stacking energy: -10.000 Base-Backbone interact. energy: -0.000 local terms energy: -14.408783 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.216 flat angles P-C4'-P energy: -0.846 tors. eta vs tors. theta energy: 0.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -32.157267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.157267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.157267 (E_RNA) where: Base-Base interactions energy: -11.298 where: short stacking energy: -11.298 Base-Backbone interact. energy: -0.000 local terms energy: -20.859295 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.449 flat angles P-C4'-P energy: -3.204 tors. eta vs tors. theta energy: -4.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -28.622279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.622279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.622279 (E_RNA) where: Base-Base interactions energy: -11.799 where: short stacking energy: -11.945 Base-Backbone interact. energy: -0.000 local terms energy: -16.823161 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.276 flat angles P-C4'-P energy: -2.623 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: 7 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -27.325002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.325002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.325002 (E_RNA) where: Base-Base interactions energy: -7.865 where: short stacking energy: -7.865 Base-Backbone interact. energy: -0.000 local terms energy: -19.459894 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.137 flat angles P-C4'-P energy: -4.049 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: 4, replica: 4 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -30.396354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.396354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.396354 (E_RNA) where: Base-Base interactions energy: -11.758 where: short stacking energy: -11.758 Base-Backbone interact. energy: -0.023 local terms energy: -18.615312 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -3.312 flat angles C4'-P-C4' energy: -4.767 flat angles P-C4'-P energy: -3.326 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: 6 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -25.502817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.502817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.502817 (E_RNA) where: Base-Base interactions energy: -7.883 where: short stacking energy: -7.883 Base-Backbone interact. energy: -0.014 local terms energy: -17.605331 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -4.313 flat angles P-C4'-P energy: -1.444 tors. eta vs tors. theta energy: -2.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -23.304383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.304383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.304383 (E_RNA) where: Base-Base interactions energy: -5.939 where: short stacking energy: -5.939 Base-Backbone interact. energy: -0.020 local terms energy: -17.345520 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -3.360 flat angles P-C4'-P energy: -3.541 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: 7, replica: 8 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -23.515573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.515573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.515573 (E_RNA) where: Base-Base interactions energy: -8.393 where: short stacking energy: -8.393 Base-Backbone interact. energy: -0.019 local terms energy: -15.103028 where: bonds (distance) C4'-P energy: -2.254 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -2.603 flat angles P-C4'-P energy: -3.066 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: 8, replica: 1 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -21.259782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.259782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.259782 (E_RNA) where: Base-Base interactions energy: -5.398 where: short stacking energy: -5.398 Base-Backbone interact. energy: -0.000 local terms energy: -15.861878 where: bonds (distance) C4'-P energy: -2.812 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.798 flat angles P-C4'-P energy: -2.688 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: 9 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -21.573787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.573787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.573787 (E_RNA) where: Base-Base interactions energy: -6.778 where: short stacking energy: -6.778 Base-Backbone interact. energy: -0.000 local terms energy: -14.795414 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.114 flat angles P-C4'-P energy: -2.036 tors. eta vs tors. theta energy: 0.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -21.021564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.021564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.021564 (E_RNA) where: Base-Base interactions energy: -3.732 where: short stacking energy: -3.732 Base-Backbone interact. energy: -0.000 local terms energy: -17.289426 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.590 flat angles P-C4'-P energy: -3.395 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: 1, replica: 5 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -29.505229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.505229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.505229 (E_RNA) where: Base-Base interactions energy: -10.858 where: short stacking energy: -10.858 Base-Backbone interact. energy: -0.000 local terms energy: -18.646710 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -3.135 flat angles P-C4'-P energy: -3.141 tors. eta vs tors. theta energy: -3.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -24.295631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.295631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.295631 (E_RNA) where: Base-Base interactions energy: -7.885 where: short stacking energy: -8.012 Base-Backbone interact. energy: -1.437 local terms energy: -14.974010 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -4.314 flat angles C4'-P-C4' energy: -1.401 flat angles P-C4'-P energy: -3.546 tors. eta vs tors. theta energy: -1.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -29.931519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.931519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.931519 (E_RNA) where: Base-Base interactions energy: -11.609 where: short stacking energy: -11.609 Base-Backbone interact. energy: -0.015 local terms energy: -18.307443 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -3.748 flat angles C4'-P-C4' energy: -4.553 flat angles P-C4'-P energy: -2.858 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: 4, replica: 6 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -26.120161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.120161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.120161 (E_RNA) where: Base-Base interactions energy: -8.324 where: short stacking energy: -8.324 Base-Backbone interact. energy: -0.010 local terms energy: -17.786187 where: bonds (distance) C4'-P energy: -3.185 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -3.357 flat angles P-C4'-P energy: -2.508 tors. eta vs tors. theta energy: -3.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -25.626290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.626290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.626290 (E_RNA) where: Base-Base interactions energy: -6.423 where: short stacking energy: -6.423 Base-Backbone interact. energy: -0.000 local terms energy: -19.203229 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -3.216 flat angles P-C4'-P energy: -3.729 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: 6, replica: 10 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -23.797677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.797677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.797677 (E_RNA) where: Base-Base interactions energy: -7.154 where: short stacking energy: -7.154 Base-Backbone interact. energy: -0.082 local terms energy: -16.561835 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.044 flat angles C4'-P-C4' energy: -4.138 flat angles P-C4'-P energy: -2.900 tors. eta vs tors. theta energy: -1.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -21.424975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.424975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.424975 (E_RNA) where: Base-Base interactions energy: -4.003 where: short stacking energy: -4.003 Base-Backbone interact. energy: -0.000 local terms energy: -17.421810 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -3.709 flat angles P-C4'-P energy: -2.851 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: 8, replica: 9 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -24.942488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.942488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.942488 (E_RNA) where: Base-Base interactions energy: -7.076 where: short stacking energy: -7.076 Base-Backbone interact. energy: -0.008 local terms energy: -17.858677 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.324 flat angles P-C4'-P energy: -2.095 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: 9, replica: 1 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -19.378619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.378619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.378619 (E_RNA) where: Base-Base interactions energy: -4.377 where: short stacking energy: -4.377 Base-Backbone interact. energy: -0.000 local terms energy: -15.001593 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -3.815 flat angles C4'-P-C4' energy: -3.880 flat angles P-C4'-P energy: -2.703 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: 10, replica: 3 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -18.416779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.416779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.416779 (E_RNA) where: Base-Base interactions energy: -4.375 where: short stacking energy: -4.375 Base-Backbone interact. energy: -0.016 local terms energy: -14.025766 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -2.531 flat angles P-C4'-P energy: -1.746 tors. eta vs tors. theta energy: -1.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -28.501534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.501534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.501534 (E_RNA) where: Base-Base interactions energy: -9.004 where: short stacking energy: -9.004 Base-Backbone interact. energy: -0.606 local terms energy: -18.891594 where: bonds (distance) C4'-P energy: -3.861 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -4.472 flat angles P-C4'-P energy: -3.670 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: 5 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -26.448548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.448548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.448548 (E_RNA) where: Base-Base interactions energy: -8.453 where: short stacking energy: -8.453 Base-Backbone interact. energy: -0.000 local terms energy: -17.995056 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -3.636 flat angles P-C4'-P energy: -3.928 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: 3, replica: 2 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -28.795886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.795886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.795886 (E_RNA) where: Base-Base interactions energy: -8.738 where: short stacking energy: -8.738 Base-Backbone interact. energy: -0.000 local terms energy: -20.057782 where: bonds (distance) C4'-P energy: -4.643 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.068 flat angles P-C4'-P energy: -3.107 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: 394 Temperature: 1.050000 Total energy: -25.149153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.149153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.149153 (E_RNA) where: Base-Base interactions energy: -8.179 where: short stacking energy: -8.179 Base-Backbone interact. energy: -0.000 local terms energy: -16.970293 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -4.909 flat angles P-C4'-P energy: -0.768 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: 10 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -26.378055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.378055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.378055 (E_RNA) where: Base-Base interactions energy: -8.040 where: short stacking energy: -8.040 Base-Backbone interact. energy: -0.081 local terms energy: -18.256963 where: bonds (distance) C4'-P energy: -3.479 bonds (distance) P-C4' energy: -4.078 flat angles C4'-P-C4' energy: -4.428 flat angles P-C4'-P energy: -3.205 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: 6, replica: 4 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -21.739124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.739124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.739124 (E_RNA) where: Base-Base interactions energy: -6.662 where: short stacking energy: -6.662 Base-Backbone interact. energy: -0.017 local terms energy: -15.059786 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -1.355 flat angles P-C4'-P energy: -3.930 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: 7, replica: 9 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -22.355639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.355639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.355639 (E_RNA) where: Base-Base interactions energy: -6.853 where: short stacking energy: -6.853 Base-Backbone interact. energy: -0.000 local terms energy: -15.502457 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -2.870 flat angles C4'-P-C4' energy: -3.885 flat angles P-C4'-P energy: -1.969 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: 8 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -21.935612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.935612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.935612 (E_RNA) where: Base-Base interactions energy: -4.064 where: short stacking energy: -4.064 Base-Backbone interact. energy: -0.000 local terms energy: -17.870875 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.365 flat angles C4'-P-C4' energy: -4.004 flat angles P-C4'-P energy: -2.634 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: 3 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -23.997512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.997512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.997512 (E_RNA) where: Base-Base interactions energy: -6.803 where: short stacking energy: -6.803 Base-Backbone interact. energy: -0.000 local terms energy: -17.194967 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -3.777 flat angles C4'-P-C4' energy: -4.188 flat angles P-C4'-P energy: -2.498 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: 10, replica: 1 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -20.184732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.184732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.184732 (E_RNA) where: Base-Base interactions energy: -4.524 where: short stacking energy: -4.524 Base-Backbone interact. energy: -0.004 local terms energy: -15.656809 where: bonds (distance) C4'-P energy: -2.432 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.854 flat angles P-C4'-P energy: -1.614 tors. eta vs tors. theta energy: -1.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -29.423376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.423376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.423376 (E_RNA) where: Base-Base interactions energy: -11.319 where: short stacking energy: -11.319 Base-Backbone interact. energy: -0.007 local terms energy: -18.096984 where: bonds (distance) C4'-P energy: -3.301 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -4.118 flat angles P-C4'-P energy: -3.122 tors. eta vs tors. theta energy: -2.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -28.332614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.332614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.332614 (E_RNA) where: Base-Base interactions energy: -7.147 where: short stacking energy: -7.147 Base-Backbone interact. energy: -0.000 local terms energy: -21.185791 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.765 flat angles P-C4'-P energy: -3.624 tors. eta vs tors. theta energy: -3.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -26.539971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.539971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.539971 (E_RNA) where: Base-Base interactions energy: -8.095 where: short stacking energy: -8.095 Base-Backbone interact. energy: -0.000 local terms energy: -18.445079 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -4.133 flat angles P-C4'-P energy: -3.167 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: 4, replica: 10 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -28.851973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.851973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.851973 (E_RNA) where: Base-Base interactions energy: -11.791 where: short stacking energy: -11.791 Base-Backbone interact. energy: -0.001 local terms energy: -17.059668 where: bonds (distance) C4'-P energy: -3.161 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.540 flat angles P-C4'-P energy: -2.153 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: 5, replica: 6 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -25.337671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.337671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.337671 (E_RNA) where: Base-Base interactions energy: -12.263 where: short stacking energy: -12.263 Base-Backbone interact. energy: -0.000 local terms energy: -13.074737 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -0.045 flat angles P-C4'-P energy: -3.292 tors. eta vs tors. theta energy: -0.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -26.169178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.169178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.169178 (E_RNA) where: Base-Base interactions energy: -7.772 where: short stacking energy: -7.772 Base-Backbone interact. energy: -0.000 local terms energy: -18.396780 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.560 flat angles C4'-P-C4' energy: -4.186 flat angles P-C4'-P energy: -1.771 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: 4 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -21.916413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.916413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.916413 (E_RNA) where: Base-Base interactions energy: -6.289 where: short stacking energy: -6.289 Base-Backbone interact. energy: -0.140 local terms energy: -15.487220 where: bonds (distance) C4'-P energy: -3.211 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -4.284 flat angles P-C4'-P energy: -3.503 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: 8, replica: 3 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -21.369044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.369044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.369044 (E_RNA) where: Base-Base interactions energy: -5.098 where: short stacking energy: -5.098 Base-Backbone interact. energy: -0.000 local terms energy: -16.270723 where: bonds (distance) C4'-P energy: -3.683 bonds (distance) P-C4' energy: -4.575 flat angles C4'-P-C4' energy: -4.643 flat angles P-C4'-P energy: -2.107 tors. eta vs tors. theta energy: -1.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -18.504132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.504132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.504132 (E_RNA) where: Base-Base interactions energy: -3.583 where: short stacking energy: -3.583 Base-Backbone interact. energy: -0.000 local terms energy: -14.920684 where: bonds (distance) C4'-P energy: -1.678 bonds (distance) P-C4' energy: -4.343 flat angles C4'-P-C4' energy: -2.904 flat angles P-C4'-P energy: -3.172 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: 10, replica: 1 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -21.981867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.981867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.981867 (E_RNA) where: Base-Base interactions energy: -7.348 where: short stacking energy: -7.348 Base-Backbone interact. energy: -0.101 local terms energy: -14.532990 where: bonds (distance) C4'-P energy: -3.939 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.485 flat angles P-C4'-P energy: -2.178 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: 1, replica: 5 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -22.472502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.472502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.472502 (E_RNA) where: Base-Base interactions energy: -4.483 where: short stacking energy: -4.483 Base-Backbone interact. energy: -0.064 local terms energy: -17.925870 where: bonds (distance) C4'-P energy: -3.861 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.782 flat angles P-C4'-P energy: -3.843 tors. eta vs tors. theta energy: -1.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -24.219956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.219956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.219956 (E_RNA) where: Base-Base interactions energy: -6.836 where: short stacking energy: -7.064 Base-Backbone interact. energy: -0.210 local terms energy: -17.174038 where: bonds (distance) C4'-P energy: -1.666 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.475 flat angles P-C4'-P energy: -3.176 tors. eta vs tors. theta energy: -2.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -23.776235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.776235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.776235 (E_RNA) where: Base-Base interactions energy: -9.130 where: short stacking energy: -9.130 Base-Backbone interact. energy: -0.000 local terms energy: -14.646507 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -3.652 flat angles C4'-P-C4' energy: -3.536 flat angles P-C4'-P energy: -2.174 tors. eta vs tors. theta energy: -1.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -23.283651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.283651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.283651 (E_RNA) where: Base-Base interactions energy: -6.701 where: short stacking energy: -6.701 Base-Backbone interact. energy: -0.000 local terms energy: -16.582703 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.793 flat angles C4'-P-C4' energy: -4.113 flat angles P-C4'-P energy: -1.970 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: 5, replica: 9 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -24.405100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.405100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.405100 (E_RNA) where: Base-Base interactions energy: -8.134 where: short stacking energy: -8.134 Base-Backbone interact. energy: -0.000 local terms energy: -16.271207 where: bonds (distance) C4'-P energy: -2.573 bonds (distance) P-C4' energy: -3.064 flat angles C4'-P-C4' energy: -4.261 flat angles P-C4'-P energy: -3.340 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: 6, replica: 6 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -19.314749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.314749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.314749 (E_RNA) where: Base-Base interactions energy: -6.578 where: short stacking energy: -6.578 Base-Backbone interact. energy: -0.100 local terms energy: -12.636776 where: bonds (distance) C4'-P energy: -2.490 bonds (distance) P-C4' energy: -3.110 flat angles C4'-P-C4' energy: -2.226 flat angles P-C4'-P energy: -2.454 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: 7, replica: 3 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -21.939684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.939684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.939684 (E_RNA) where: Base-Base interactions energy: -6.648 where: short stacking energy: -6.648 Base-Backbone interact. energy: -0.000 local terms energy: -15.291647 where: bonds (distance) C4'-P energy: -3.185 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -1.954 flat angles P-C4'-P energy: -3.357 tors. eta vs tors. theta energy: -2.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -23.108254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.108254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.108254 (E_RNA) where: Base-Base interactions energy: -6.173 where: short stacking energy: -6.173 Base-Backbone interact. energy: -0.000 local terms energy: -16.935619 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -2.470 flat angles P-C4'-P energy: -2.725 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: 8 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -22.888876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.888876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.888876 (E_RNA) where: Base-Base interactions energy: -5.105 where: short stacking energy: -5.105 Base-Backbone interact. energy: -1.549 local terms energy: -16.235672 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.300 flat angles P-C4'-P energy: -3.433 tors. eta vs tors. theta energy: 0.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -19.876129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.876129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.876129 (E_RNA) where: Base-Base interactions energy: -3.651 where: short stacking energy: -3.651 Base-Backbone interact. energy: -0.000 local terms energy: -16.224845 where: bonds (distance) C4'-P energy: -3.406 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.226 flat angles P-C4'-P energy: -3.340 tors. eta vs tors. theta energy: -1.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -32.810573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.810573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.810573 (E_RNA) where: Base-Base interactions energy: -12.660 where: short stacking energy: -12.660 Base-Backbone interact. energy: -0.001 local terms energy: -20.149894 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -4.564 flat angles P-C4'-P energy: -2.008 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: 2, replica: 10 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -24.912830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.912830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.912830 (E_RNA) where: Base-Base interactions energy: -4.078 where: short stacking energy: -4.078 Base-Backbone interact. energy: -0.000 local terms energy: -20.834462 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.573 flat angles P-C4'-P energy: -3.728 tors. eta vs tors. theta energy: -3.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -26.258960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.258960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.258960 (E_RNA) where: Base-Base interactions energy: -8.725 where: short stacking energy: -8.725 Base-Backbone interact. energy: -0.000 local terms energy: -17.533444 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.231 flat angles P-C4'-P energy: -3.920 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: 4, replica: 9 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -28.966720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.966720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.966720 (E_RNA) where: Base-Base interactions energy: -9.448 where: short stacking energy: -9.448 Base-Backbone interact. energy: -0.000 local terms energy: -19.518417 where: bonds (distance) C4'-P energy: -3.326 bonds (distance) P-C4' energy: -3.781 flat angles C4'-P-C4' energy: -4.097 flat angles P-C4'-P energy: -3.900 tors. eta vs tors. theta energy: -4.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -29.956920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.956920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.956920 (E_RNA) where: Base-Base interactions energy: -10.348 where: short stacking energy: -10.348 Base-Backbone interact. energy: -0.000 local terms energy: -19.608731 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.940 flat angles P-C4'-P energy: -3.020 tors. eta vs tors. theta energy: -3.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -25.207847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.207847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.207847 (E_RNA) where: Base-Base interactions energy: -6.386 where: short stacking energy: -6.386 Base-Backbone interact. energy: -0.000 local terms energy: -18.821727 where: bonds (distance) C4'-P energy: -2.395 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -3.623 flat angles P-C4'-P energy: -3.243 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: 7, replica: 6 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -21.281306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.281306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.281306 (E_RNA) where: Base-Base interactions energy: -4.347 where: short stacking energy: -4.347 Base-Backbone interact. energy: -0.000 local terms energy: -16.934282 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.307 flat angles P-C4'-P energy: -3.721 tors. eta vs tors. theta energy: -0.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -23.820069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.820069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.820069 (E_RNA) where: Base-Base interactions energy: -6.302 where: short stacking energy: -6.302 Base-Backbone interact. energy: -0.000 local terms energy: -17.518200 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.108 flat angles P-C4'-P energy: -3.484 tors. eta vs tors. theta energy: -1.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -23.749084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.749084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.749084 (E_RNA) where: Base-Base interactions energy: -8.274 where: short stacking energy: -8.274 Base-Backbone interact. energy: -0.000 local terms energy: -15.474900 where: bonds (distance) C4'-P energy: -2.804 bonds (distance) P-C4' energy: -4.180 flat angles C4'-P-C4' energy: -4.555 flat angles P-C4'-P energy: -1.606 tors. eta vs tors. theta energy: -2.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -19.537973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.537973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.537973 (E_RNA) where: Base-Base interactions energy: -2.664 where: short stacking energy: -2.664 Base-Backbone interact. energy: -0.028 local terms energy: -16.846620 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.392 flat angles C4'-P-C4' energy: -4.027 flat angles P-C4'-P energy: -3.359 tors. eta vs tors. theta energy: -0.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -24.209228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.209228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.209228 (E_RNA) where: Base-Base interactions energy: -8.018 where: short stacking energy: -8.018 Base-Backbone interact. energy: -0.059 local terms energy: -16.132443 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.846 flat angles C4'-P-C4' energy: -4.604 flat angles P-C4'-P energy: -3.114 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: 2, replica: 5 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -29.572014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.572014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.572014 (E_RNA) where: Base-Base interactions energy: -10.311 where: short stacking energy: -10.311 Base-Backbone interact. energy: -0.000 local terms energy: -19.260552 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.040 flat angles P-C4'-P energy: -3.108 tors. eta vs tors. theta energy: -2.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -29.142635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.142635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.142635 (E_RNA) where: Base-Base interactions energy: -11.022 where: short stacking energy: -11.022 Base-Backbone interact. energy: -0.000 local terms energy: -18.120847 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -3.961 flat angles P-C4'-P energy: -2.654 tors. eta vs tors. theta energy: -2.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -23.311400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.311400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.311400 (E_RNA) where: Base-Base interactions energy: -5.066 where: short stacking energy: -5.066 Base-Backbone interact. energy: -0.004 local terms energy: -18.241490 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.176 flat angles P-C4'-P energy: -4.014 tors. eta vs tors. theta energy: -0.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -21.973796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.973796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.973796 (E_RNA) where: Base-Base interactions energy: -7.384 where: short stacking energy: -7.384 Base-Backbone interact. energy: -0.000 local terms energy: -14.590276 where: bonds (distance) C4'-P energy: -2.946 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -3.748 flat angles P-C4'-P energy: -2.161 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: 6, replica: 2 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -26.677333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.677333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.677333 (E_RNA) where: Base-Base interactions energy: -8.013 where: short stacking energy: -8.013 Base-Backbone interact. energy: -0.000 local terms energy: -18.664817 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.289 flat angles P-C4'-P energy: -3.270 tors. eta vs tors. theta energy: -2.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -19.904907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.904907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.904907 (E_RNA) where: Base-Base interactions energy: -4.104 where: short stacking energy: -4.104 Base-Backbone interact. energy: -0.000 local terms energy: -15.800966 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -4.256 flat angles P-C4'-P energy: -2.720 tors. eta vs tors. theta energy: 0.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -23.392506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.392506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.392506 (E_RNA) where: Base-Base interactions energy: -5.324 where: short stacking energy: -5.324 Base-Backbone interact. energy: -0.000 local terms energy: -18.068404 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.764 flat angles P-C4'-P energy: -2.301 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: 9, replica: 1 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -22.425357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.425357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.425357 (E_RNA) where: Base-Base interactions energy: -5.258 where: short stacking energy: -5.258 Base-Backbone interact. energy: -0.000 local terms energy: -17.167049 where: bonds (distance) C4'-P energy: -4.279 bonds (distance) P-C4' energy: -3.815 flat angles C4'-P-C4' energy: -4.059 flat angles P-C4'-P energy: -3.346 tors. eta vs tors. theta energy: -1.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -19.461269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.461269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.461269 (E_RNA) where: Base-Base interactions energy: -7.291 where: short stacking energy: -7.291 Base-Backbone interact. energy: -0.337 local terms energy: -11.833203 where: bonds (distance) C4'-P energy: -2.138 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -2.116 flat angles P-C4'-P energy: -2.420 tors. eta vs tors. theta energy: -0.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -28.455320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.455320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.455320 (E_RNA) where: Base-Base interactions energy: -11.826 where: short stacking energy: -11.826 Base-Backbone interact. energy: -0.000 local terms energy: -16.629447 where: bonds (distance) C4'-P energy: -3.008 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.117 flat angles P-C4'-P energy: -1.012 tors. eta vs tors. theta energy: -3.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -23.182364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.182364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.182364 (E_RNA) where: Base-Base interactions energy: -6.848 where: short stacking energy: -6.848 Base-Backbone interact. energy: -0.964 local terms energy: -15.370438 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.862 flat angles P-C4'-P energy: -1.742 tors. eta vs tors. theta energy: -0.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -24.881646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.881646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.881646 (E_RNA) where: Base-Base interactions energy: -9.190 where: short stacking energy: -9.190 Base-Backbone interact. energy: -0.005 local terms energy: -15.686807 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -2.477 flat angles P-C4'-P energy: -3.749 tors. eta vs tors. theta energy: -0.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -24.215514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.215514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.215514 (E_RNA) where: Base-Base interactions energy: -7.849 where: short stacking energy: -7.849 Base-Backbone interact. energy: -0.000 local terms energy: -16.366074 where: bonds (distance) C4'-P energy: -3.194 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.680 flat angles P-C4'-P energy: -0.886 tors. eta vs tors. theta energy: -3.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -24.966616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.966616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.966616 (E_RNA) where: Base-Base interactions energy: -6.226 where: short stacking energy: -6.226 Base-Backbone interact. energy: -0.000 local terms energy: -18.740628 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.336 flat angles C4'-P-C4' energy: -3.728 flat angles P-C4'-P energy: -3.458 tors. eta vs tors. theta energy: -2.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -23.870664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.870664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.870664 (E_RNA) where: Base-Base interactions energy: -8.150 where: short stacking energy: -8.150 Base-Backbone interact. energy: -0.000 local terms energy: -15.721009 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.051 flat angles C4'-P-C4' energy: -4.222 flat angles P-C4'-P energy: -1.381 tors. eta vs tors. theta energy: -1.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -24.693425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.693425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.693425 (E_RNA) where: Base-Base interactions energy: -8.088 where: short stacking energy: -8.088 Base-Backbone interact. energy: -0.000 local terms energy: -16.604937 where: bonds (distance) C4'-P energy: -2.415 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.329 flat angles P-C4'-P energy: -3.097 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: 8, replica: 1 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -22.206540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.206540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.206540 (E_RNA) where: Base-Base interactions energy: -6.803 where: short stacking energy: -6.803 Base-Backbone interact. energy: -0.000 local terms energy: -15.403529 where: bonds (distance) C4'-P energy: -2.626 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -1.711 flat angles P-C4'-P energy: -1.264 tors. eta vs tors. theta energy: -4.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -22.217368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.217368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.217368 (E_RNA) where: Base-Base interactions energy: -5.178 where: short stacking energy: -5.178 Base-Backbone interact. energy: -0.000 local terms energy: -17.039170 where: bonds (distance) C4'-P energy: -2.954 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.430 flat angles P-C4'-P energy: -4.003 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: 10, replica: 4 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -21.142598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.142598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.142598 (E_RNA) where: Base-Base interactions energy: -6.970 where: short stacking energy: -7.280 Base-Backbone interact. energy: -0.029 local terms energy: -14.143848 where: bonds (distance) C4'-P energy: -1.840 bonds (distance) P-C4' energy: -4.054 flat angles C4'-P-C4' energy: -3.609 flat angles P-C4'-P energy: -2.186 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: 1, replica: 9 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -29.746191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.746191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.746191 (E_RNA) where: Base-Base interactions energy: -10.692 where: short stacking energy: -10.692 Base-Backbone interact. energy: -0.000 local terms energy: -19.054316 where: bonds (distance) C4'-P energy: -3.169 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -4.610 flat angles P-C4'-P energy: -3.538 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: 2, replica: 10 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -29.964643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.964643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.964643 (E_RNA) where: Base-Base interactions energy: -10.041 where: short stacking energy: -10.041 Base-Backbone interact. energy: -0.000 local terms energy: -19.923911 where: bonds (distance) C4'-P energy: -3.566 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.485 flat angles P-C4'-P energy: -2.108 tors. eta vs tors. theta energy: -5.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -25.486074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.486074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.486074 (E_RNA) where: Base-Base interactions energy: -6.346 where: short stacking energy: -6.346 Base-Backbone interact. energy: -0.000 local terms energy: -19.139868 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.610 flat angles P-C4'-P energy: -3.986 tors. eta vs tors. theta energy: -1.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -20.571413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.571413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.571413 (E_RNA) where: Base-Base interactions energy: -6.098 where: short stacking energy: -6.098 Base-Backbone interact. energy: -0.021 local terms energy: -14.452650 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.448 flat angles P-C4'-P energy: -2.802 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: 5, replica: 8 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -24.731206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.731206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.731206 (E_RNA) where: Base-Base interactions energy: -9.260 where: short stacking energy: -9.260 Base-Backbone interact. energy: -0.000 local terms energy: -15.470774 where: bonds (distance) C4'-P energy: -1.803 bonds (distance) P-C4' energy: -3.329 flat angles C4'-P-C4' energy: -3.639 flat angles P-C4'-P energy: -3.241 tors. eta vs tors. theta energy: -3.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -28.999848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.999848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.999848 (E_RNA) where: Base-Base interactions energy: -10.932 where: short stacking energy: -10.932 Base-Backbone interact. energy: -0.000 local terms energy: -18.068048 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -3.837 flat angles P-C4'-P energy: -2.164 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: 7, replica: 1 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -23.106696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.106696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.106696 (E_RNA) where: Base-Base interactions energy: -8.298 where: short stacking energy: -8.298 Base-Backbone interact. energy: -0.000 local terms energy: -14.808969 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -3.981 flat angles C4'-P-C4' energy: -2.226 flat angles P-C4'-P energy: -3.009 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: 8, replica: 2 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -24.549525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.549525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.549525 (E_RNA) where: Base-Base interactions energy: -9.715 where: short stacking energy: -9.715 Base-Backbone interact. energy: -0.001 local terms energy: -14.834186 where: bonds (distance) C4'-P energy: -2.626 bonds (distance) P-C4' energy: -3.465 flat angles C4'-P-C4' energy: -3.373 flat angles P-C4'-P energy: -2.571 tors. eta vs tors. theta energy: -2.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -22.284493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.284493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.284493 (E_RNA) where: Base-Base interactions energy: -6.265 where: short stacking energy: -6.265 Base-Backbone interact. energy: -0.003 local terms energy: -16.015909 where: bonds (distance) C4'-P energy: -2.751 bonds (distance) P-C4' energy: -3.578 flat angles C4'-P-C4' energy: -3.431 flat angles P-C4'-P energy: -2.787 tors. eta vs tors. theta energy: -3.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -21.960222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.960222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.960222 (E_RNA) where: Base-Base interactions energy: -4.423 where: short stacking energy: -4.423 Base-Backbone interact. energy: -0.005 local terms energy: -17.532120 where: bonds (distance) C4'-P energy: -3.637 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.661 flat angles P-C4'-P energy: -3.522 tors. eta vs tors. theta energy: -0.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -27.681352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.681352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.681352 (E_RNA) where: Base-Base interactions energy: -10.855 where: short stacking energy: -10.855 Base-Backbone interact. energy: -0.000 local terms energy: -16.826150 where: bonds (distance) C4'-P energy: -3.708 bonds (distance) P-C4' energy: -3.007 flat angles C4'-P-C4' energy: -2.531 flat angles P-C4'-P energy: -3.460 tors. eta vs tors. theta energy: -4.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -30.172378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.172378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.172378 (E_RNA) where: Base-Base interactions energy: -9.887 where: short stacking energy: -9.887 Base-Backbone interact. energy: -0.000 local terms energy: -20.285575 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.644 flat angles P-C4'-P energy: -3.994 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: 3, replica: 10 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -29.294459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.294459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.294459 (E_RNA) where: Base-Base interactions energy: -8.458 where: short stacking energy: -8.458 Base-Backbone interact. energy: -0.000 local terms energy: -20.836515 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.564 flat angles P-C4'-P energy: -3.496 tors. eta vs tors. theta energy: -4.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -23.902430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.902430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.902430 (E_RNA) where: Base-Base interactions energy: -7.847 where: short stacking energy: -7.847 Base-Backbone interact. energy: 0.850 local terms energy: -16.905246 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -4.575 flat angles C4'-P-C4' energy: -3.813 flat angles P-C4'-P energy: -2.555 tors. eta vs tors. theta energy: -1.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -25.829255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.829255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.829255 (E_RNA) where: Base-Base interactions energy: -7.550 where: short stacking energy: -7.550 Base-Backbone interact. energy: -0.000 local terms energy: -18.279569 where: bonds (distance) C4'-P energy: -3.487 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.452 flat angles P-C4'-P energy: -2.569 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: 6, replica: 1 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -23.001273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.001273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.001273 (E_RNA) where: Base-Base interactions energy: -7.338 where: short stacking energy: -7.338 Base-Backbone interact. energy: -0.000 local terms energy: -15.663236 where: bonds (distance) C4'-P energy: -2.751 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.533 flat angles P-C4'-P energy: -3.928 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: 7, replica: 7 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -21.637306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.637306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.637306 (E_RNA) where: Base-Base interactions energy: -3.713 where: short stacking energy: -3.713 Base-Backbone interact. energy: -0.000 local terms energy: -17.924241 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.080 flat angles P-C4'-P energy: -2.540 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: 8, replica: 4 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -21.352638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.352638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.352638 (E_RNA) where: Base-Base interactions energy: -8.914 where: short stacking energy: -8.914 Base-Backbone interact. energy: -0.000 local terms energy: -12.438981 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -2.863 flat angles C4'-P-C4' energy: -1.538 flat angles P-C4'-P energy: -2.121 tors. eta vs tors. theta energy: -1.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -21.760968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.760968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.760968 (E_RNA) where: Base-Base interactions energy: -3.963 where: short stacking energy: -3.963 Base-Backbone interact. energy: -0.000 local terms energy: -17.798377 where: bonds (distance) C4'-P energy: -3.384 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -4.154 flat angles P-C4'-P energy: -2.829 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: 10, replica: 6 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -19.065269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.065269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.065269 (E_RNA) where: Base-Base interactions energy: -3.544 where: short stacking energy: -3.544 Base-Backbone interact. energy: -0.014 local terms energy: -15.507676 where: bonds (distance) C4'-P energy: -1.968 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -4.114 flat angles P-C4'-P energy: -3.673 tors. eta vs tors. theta energy: -1.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -28.262299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.262299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.262299 (E_RNA) where: Base-Base interactions energy: -7.884 where: short stacking energy: -7.884 Base-Backbone interact. energy: -0.001 local terms energy: -20.378183 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.771 flat angles P-C4'-P energy: -2.556 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: 2, replica: 9 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -26.171587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.171587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.171587 (E_RNA) where: Base-Base interactions energy: -8.736 where: short stacking energy: -8.736 Base-Backbone interact. energy: -0.010 local terms energy: -17.426014 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.360 flat angles P-C4'-P energy: -2.789 tors. eta vs tors. theta energy: -1.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -31.375271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.375271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.375271 (E_RNA) where: Base-Base interactions energy: -11.073 where: short stacking energy: -11.073 Base-Backbone interact. energy: -0.000 local terms energy: -20.301943 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -3.890 flat angles P-C4'-P energy: -3.283 tors. eta vs tors. theta energy: -4.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -22.667900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.667900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.667900 (E_RNA) where: Base-Base interactions energy: -7.051 where: short stacking energy: -7.051 Base-Backbone interact. energy: -0.000 local terms energy: -15.617043 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -3.176 flat angles P-C4'-P energy: -1.397 tors. eta vs tors. theta energy: -1.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -24.605029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.605029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.605029 (E_RNA) where: Base-Base interactions energy: -5.568 where: short stacking energy: -5.568 Base-Backbone interact. energy: -0.000 local terms energy: -19.036950 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.795 flat angles P-C4'-P energy: -3.370 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: 1 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -21.532512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.532512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.532512 (E_RNA) where: Base-Base interactions energy: -5.926 where: short stacking energy: -5.926 Base-Backbone interact. energy: -0.052 local terms energy: -15.554127 where: bonds (distance) C4'-P energy: -4.341 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -3.996 flat angles P-C4'-P energy: -3.096 tors. eta vs tors. theta energy: 0.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -24.461612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.461612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.461612 (E_RNA) where: Base-Base interactions energy: -6.571 where: short stacking energy: -6.571 Base-Backbone interact. energy: -0.000 local terms energy: -17.890496 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.017 flat angles P-C4'-P energy: -3.653 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: 8, replica: 7 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -22.587497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.587497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.587497 (E_RNA) where: Base-Base interactions energy: -6.561 where: short stacking energy: -6.561 Base-Backbone interact. energy: -0.004 local terms energy: -16.022997 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -4.273 flat angles P-C4'-P energy: -1.761 tors. eta vs tors. theta energy: -1.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -22.153401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.153401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.153401 (E_RNA) where: Base-Base interactions energy: -6.296 where: short stacking energy: -6.296 Base-Backbone interact. energy: -0.035 local terms energy: -15.822460 where: bonds (distance) C4'-P energy: -2.954 bonds (distance) P-C4' energy: -4.149 flat angles C4'-P-C4' energy: -3.306 flat angles P-C4'-P energy: -3.473 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: 10, replica: 2 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -23.435745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.435745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.435745 (E_RNA) where: Base-Base interactions energy: -6.701 where: short stacking energy: -6.701 Base-Backbone interact. energy: -0.000 local terms energy: -16.734858 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.344 flat angles P-C4'-P energy: -3.431 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: 3 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -31.939647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.939647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.939647 (E_RNA) where: Base-Base interactions energy: -10.847 where: short stacking energy: -10.847 Base-Backbone interact. energy: -0.000 local terms energy: -21.092257 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.717 flat angles P-C4'-P energy: -2.243 tors. eta vs tors. theta energy: -4.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -27.774235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.774235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.774235 (E_RNA) where: Base-Base interactions energy: -9.295 where: short stacking energy: -9.295 Base-Backbone interact. energy: -0.173 local terms energy: -18.305940 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -3.332 flat angles P-C4'-P energy: -3.938 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: 9 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -23.871831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.871831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.871831 (E_RNA) where: Base-Base interactions energy: -6.779 where: short stacking energy: -6.779 Base-Backbone interact. energy: -0.000 local terms energy: -17.092154 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.503 flat angles P-C4'-P energy: -3.739 tors. eta vs tors. theta energy: -0.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -27.429826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.429826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.429826 (E_RNA) where: Base-Base interactions energy: -10.395 where: short stacking energy: -10.395 Base-Backbone interact. energy: -0.001 local terms energy: -17.034419 where: bonds (distance) C4'-P energy: -2.672 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.974 flat angles P-C4'-P energy: -3.121 tors. eta vs tors. theta energy: -2.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -23.178872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.178872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.178872 (E_RNA) where: Base-Base interactions energy: -9.675 where: short stacking energy: -9.675 Base-Backbone interact. energy: 0.208 local terms energy: -13.712129 where: bonds (distance) C4'-P energy: -3.487 bonds (distance) P-C4' energy: -2.677 flat angles C4'-P-C4' energy: -3.716 flat angles P-C4'-P energy: -2.356 tors. eta vs tors. theta energy: -1.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -24.531568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.531568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.531568 (E_RNA) where: Base-Base interactions energy: -7.185 where: short stacking energy: -7.185 Base-Backbone interact. energy: -0.000 local terms energy: -17.346698 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -3.815 flat angles C4'-P-C4' energy: -4.288 flat angles P-C4'-P energy: -2.888 tors. eta vs tors. theta energy: -2.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -19.960617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.960617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.960617 (E_RNA) where: Base-Base interactions energy: -6.236 where: short stacking energy: -6.720 Base-Backbone interact. energy: -0.000 local terms energy: -13.725025 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -1.455 flat angles P-C4'-P energy: -3.273 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: 8, replica: 6 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -22.260197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.260197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.260197 (E_RNA) where: Base-Base interactions energy: -3.000 where: short stacking energy: -3.000 Base-Backbone interact. energy: -1.018 local terms energy: -18.242364 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.433 flat angles P-C4'-P energy: -3.561 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: 9, replica: 7 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -19.713869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.713869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.713869 (E_RNA) where: Base-Base interactions energy: -8.599 where: short stacking energy: -8.599 Base-Backbone interact. energy: -0.105 local terms energy: -11.009394 where: bonds (distance) C4'-P energy: -3.264 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -0.572 flat angles P-C4'-P energy: 0.397 tors. eta vs tors. theta energy: -2.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -20.555667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.555667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.555667 (E_RNA) where: Base-Base interactions energy: -5.330 where: short stacking energy: -5.330 Base-Backbone interact. energy: -0.008 local terms energy: -15.217594 where: bonds (distance) C4'-P energy: -3.645 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.235 flat angles P-C4'-P energy: -1.947 tors. eta vs tors. theta energy: -0.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -31.303258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.303258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.303258 (E_RNA) where: Base-Base interactions energy: -11.422 where: short stacking energy: -11.422 Base-Backbone interact. energy: 0.886 local terms energy: -20.767349 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.583 flat angles P-C4'-P energy: -3.735 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: 404 Temperature: 0.950000 Total energy: -26.765858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.765858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.765858 (E_RNA) where: Base-Base interactions energy: -8.993 where: short stacking energy: -8.993 Base-Backbone interact. energy: -0.000 local terms energy: -17.773171 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -3.942 flat angles P-C4'-P energy: -3.392 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: 3, replica: 5 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -22.113407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.113407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.113407 (E_RNA) where: Base-Base interactions energy: -7.228 where: short stacking energy: -7.228 Base-Backbone interact. energy: -0.000 local terms energy: -14.885345 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.732 flat angles P-C4'-P energy: -2.249 tors. eta vs tors. theta energy: 0.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -25.278153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.278153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.278153 (E_RNA) where: Base-Base interactions energy: -8.161 where: short stacking energy: -8.161 Base-Backbone interact. energy: -0.117 local terms energy: -16.999558 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -4.717 flat angles P-C4'-P energy: -2.036 tors. eta vs tors. theta energy: -2.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -25.478755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.478755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.478755 (E_RNA) where: Base-Base interactions energy: -5.782 where: short stacking energy: -5.782 Base-Backbone interact. energy: -0.006 local terms energy: -19.691008 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.659 flat angles P-C4'-P energy: -3.460 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: 6, replica: 10 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -19.102879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.102879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.102879 (E_RNA) where: Base-Base interactions energy: -4.849 where: short stacking energy: -4.849 Base-Backbone interact. energy: -0.052 local terms energy: -14.202028 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -2.266 flat angles P-C4'-P energy: -3.057 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: 7, replica: 6 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -22.782793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.782793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.782793 (E_RNA) where: Base-Base interactions energy: -4.749 where: short stacking energy: -4.749 Base-Backbone interact. energy: -0.000 local terms energy: -18.033168 where: bonds (distance) C4'-P energy: -4.270 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.856 flat angles P-C4'-P energy: -2.874 tors. eta vs tors. theta energy: -0.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -25.434608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.434608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.434608 (E_RNA) where: Base-Base interactions energy: -8.845 where: short stacking energy: -8.845 Base-Backbone interact. energy: -0.000 local terms energy: -16.589848 where: bonds (distance) C4'-P energy: -2.718 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -1.506 flat angles P-C4'-P energy: -2.618 tors. eta vs tors. theta energy: -4.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -20.697317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.697317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.697317 (E_RNA) where: Base-Base interactions energy: -4.301 where: short stacking energy: -4.301 Base-Backbone interact. energy: -0.000 local terms energy: -16.396267 where: bonds (distance) C4'-P energy: -3.513 bonds (distance) P-C4' energy: -4.579 flat angles C4'-P-C4' energy: -3.770 flat angles P-C4'-P energy: -3.664 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: 7 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -19.472460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.472460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.472460 (E_RNA) where: Base-Base interactions energy: -3.382 where: short stacking energy: -3.382 Base-Backbone interact. energy: -0.002 local terms energy: -16.088360 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -2.736 flat angles P-C4'-P energy: -2.377 tors. eta vs tors. theta energy: -1.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -28.333731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.333731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.333731 (E_RNA) where: Base-Base interactions energy: -8.047 where: short stacking energy: -8.047 Base-Backbone interact. energy: -0.000 local terms energy: -20.286369 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -2.487 flat angles P-C4'-P energy: -3.948 tors. eta vs tors. theta energy: -4.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -28.830591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.830591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.830591 (E_RNA) where: Base-Base interactions energy: -9.746 where: short stacking energy: -9.746 Base-Backbone interact. energy: -0.000 local terms energy: -19.084540 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.083 flat angles P-C4'-P energy: -3.158 tors. eta vs tors. theta energy: -2.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -29.846738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.846738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.846738 (E_RNA) where: Base-Base interactions energy: -11.516 where: short stacking energy: -11.516 Base-Backbone interact. energy: -0.000 local terms energy: -18.330264 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -3.894 flat angles P-C4'-P energy: -2.270 tors. eta vs tors. theta energy: -3.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -28.429852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.429852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.429852 (E_RNA) where: Base-Base interactions energy: -9.534 where: short stacking energy: -9.534 Base-Backbone interact. energy: -0.000 local terms energy: -18.895700 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -3.364 flat angles C4'-P-C4' energy: -4.649 flat angles P-C4'-P energy: -2.261 tors. eta vs tors. theta energy: -4.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -22.591419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.591419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.591419 (E_RNA) where: Base-Base interactions energy: -7.215 where: short stacking energy: -7.215 Base-Backbone interact. energy: -0.077 local terms energy: -15.299355 where: bonds (distance) C4'-P energy: -3.152 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.801 flat angles P-C4'-P energy: -2.143 tors. eta vs tors. theta energy: -1.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -25.473179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.473179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.473179 (E_RNA) where: Base-Base interactions energy: -6.089 where: short stacking energy: -6.089 Base-Backbone interact. energy: -0.000 local terms energy: -19.384028 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.493 flat angles P-C4'-P energy: -2.702 tors. eta vs tors. theta energy: -3.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -25.839926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.839926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.839926 (E_RNA) where: Base-Base interactions energy: -11.782 where: short stacking energy: -11.782 Base-Backbone interact. energy: -0.000 local terms energy: -14.058231 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -3.301 flat angles C4'-P-C4' energy: 0.413 flat angles P-C4'-P energy: -4.033 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: 1 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -22.496950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.496950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.496950 (E_RNA) where: Base-Base interactions energy: -3.155 where: short stacking energy: -3.455 Base-Backbone interact. energy: -0.042 local terms energy: -19.300338 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.577 flat angles P-C4'-P energy: -3.002 tors. eta vs tors. theta energy: -3.258 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: 2 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -22.243173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.243173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.243173 (E_RNA) where: Base-Base interactions energy: -5.895 where: short stacking energy: -5.895 Base-Backbone interact. energy: -0.000 local terms energy: -16.348226 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.347 flat angles P-C4'-P energy: -1.113 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: 10, replica: 7 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -20.248721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.248721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.248721 (E_RNA) where: Base-Base interactions energy: -3.646 where: short stacking energy: -3.646 Base-Backbone interact. energy: -0.000 local terms energy: -16.603042 where: bonds (distance) C4'-P energy: -3.939 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.609 flat angles P-C4'-P energy: -2.469 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: 1, replica: 5 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -24.187499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.187499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.187499 (E_RNA) where: Base-Base interactions energy: -8.705 where: short stacking energy: -8.705 Base-Backbone interact. energy: -0.001 local terms energy: -15.481918 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.572 flat angles C4'-P-C4' energy: -4.309 flat angles P-C4'-P energy: -1.863 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: 2, replica: 8 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -27.845241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.845241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.845241 (E_RNA) where: Base-Base interactions energy: -11.022 where: short stacking energy: -11.022 Base-Backbone interact. energy: -0.007 local terms energy: -16.816361 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -2.749 flat angles P-C4'-P energy: -1.607 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: 3, replica: 4 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -28.006538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.006538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.006538 (E_RNA) where: Base-Base interactions energy: -11.518 where: short stacking energy: -11.518 Base-Backbone interact. energy: -0.000 local terms energy: -16.488994 where: bonds (distance) C4'-P energy: -3.045 bonds (distance) P-C4' energy: -3.128 flat angles C4'-P-C4' energy: -3.992 flat angles P-C4'-P energy: -3.203 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: 3 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -22.901715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.901715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.901715 (E_RNA) where: Base-Base interactions energy: -4.004 where: short stacking energy: -4.004 Base-Backbone interact. energy: -0.018 local terms energy: -18.879109 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.432 flat angles P-C4'-P energy: -3.591 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: 5, replica: 6 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -23.216501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.216501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.216501 (E_RNA) where: Base-Base interactions energy: -7.820 where: short stacking energy: -7.820 Base-Backbone interact. energy: -0.011 local terms energy: -15.385615 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -3.459 flat angles P-C4'-P energy: -1.308 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: 9 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -26.504805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.504805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.504805 (E_RNA) where: Base-Base interactions energy: -7.251 where: short stacking energy: -7.251 Base-Backbone interact. energy: -0.000 local terms energy: -19.254096 where: bonds (distance) C4'-P energy: -3.799 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.780 flat angles P-C4'-P energy: -3.319 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: 7, replica: 1 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -24.468937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.468937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.468937 (E_RNA) where: Base-Base interactions energy: -9.336 where: short stacking energy: -9.336 Base-Backbone interact. energy: -0.001 local terms energy: -15.131790 where: bonds (distance) C4'-P energy: -4.039 bonds (distance) P-C4' energy: -3.553 flat angles C4'-P-C4' energy: -3.639 flat angles P-C4'-P energy: -2.136 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: 10 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -20.566104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.566104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.566104 (E_RNA) where: Base-Base interactions energy: -4.221 where: short stacking energy: -4.221 Base-Backbone interact. energy: -0.004 local terms energy: -16.340767 where: bonds (distance) C4'-P energy: -2.920 bonds (distance) P-C4' energy: -4.572 flat angles C4'-P-C4' energy: -4.765 flat angles P-C4'-P energy: -2.934 tors. eta vs tors. theta energy: -1.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -25.323541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.323541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.323541 (E_RNA) where: Base-Base interactions energy: -8.559 where: short stacking energy: -8.559 Base-Backbone interact. energy: -0.000 local terms energy: -16.764375 where: bonds (distance) C4'-P energy: -4.233 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.547 flat angles P-C4'-P energy: -1.647 tors. eta vs tors. theta energy: -2.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -20.969084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.969084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.969084 (E_RNA) where: Base-Base interactions energy: -4.476 where: short stacking energy: -4.476 Base-Backbone interact. energy: -0.001 local terms energy: -16.492526 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.049 flat angles P-C4'-P energy: -3.529 tors. eta vs tors. theta energy: 0.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -26.493491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.493491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.493491 (E_RNA) where: Base-Base interactions energy: -8.138 where: short stacking energy: -8.138 Base-Backbone interact. energy: -0.000 local terms energy: -18.355045 where: bonds (distance) C4'-P energy: -3.008 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.839 flat angles P-C4'-P energy: -3.123 tors. eta vs tors. theta energy: -2.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -27.446903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.446903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.446903 (E_RNA) where: Base-Base interactions energy: -8.257 where: short stacking energy: -8.257 Base-Backbone interact. energy: -0.000 local terms energy: -19.189899 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.974 flat angles P-C4'-P energy: -3.588 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: 3, replica: 8 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -24.433298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.433298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.433298 (E_RNA) where: Base-Base interactions energy: -6.510 where: short stacking energy: -6.510 Base-Backbone interact. energy: -0.000 local terms energy: -17.923258 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.702 flat angles P-C4'-P energy: -3.558 tors. eta vs tors. theta energy: -1.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -25.106160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.106160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.106160 (E_RNA) where: Base-Base interactions energy: -8.413 where: short stacking energy: -8.413 Base-Backbone interact. energy: -0.002 local terms energy: -16.690641 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -4.398 flat angles P-C4'-P energy: -2.017 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: 5, replica: 3 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -23.605036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.605036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.605036 (E_RNA) where: Base-Base interactions energy: -6.522 where: short stacking energy: -6.522 Base-Backbone interact. energy: -0.000 local terms energy: -17.082650 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.123 flat angles P-C4'-P energy: -2.099 tors. eta vs tors. theta energy: -1.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -26.408720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.408720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.408720 (E_RNA) where: Base-Base interactions energy: -10.060 where: short stacking energy: -10.060 Base-Backbone interact. energy: -0.000 local terms energy: -16.348605 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -3.364 flat angles C4'-P-C4' energy: -3.135 flat angles P-C4'-P energy: -3.263 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: 7, replica: 9 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -26.366178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.366178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.366178 (E_RNA) where: Base-Base interactions energy: -10.284 where: short stacking energy: -10.284 Base-Backbone interact. energy: -0.000 local terms energy: -16.082252 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -3.360 flat angles C4'-P-C4' energy: -3.243 flat angles P-C4'-P energy: -2.979 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: 8, replica: 7 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -22.137046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.137046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.137046 (E_RNA) where: Base-Base interactions energy: -6.801 where: short stacking energy: -6.801 Base-Backbone interact. energy: -0.001 local terms energy: -15.335167 where: bonds (distance) C4'-P energy: -3.397 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.157 flat angles P-C4'-P energy: -1.793 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: 9, replica: 10 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -22.667173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.667173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.667173 (E_RNA) where: Base-Base interactions energy: -7.347 where: short stacking energy: -7.347 Base-Backbone interact. energy: -0.000 local terms energy: -15.320482 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -2.550 flat angles C4'-P-C4' energy: -3.794 flat angles P-C4'-P energy: -3.766 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: 10, replica: 2 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -22.802335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.802335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.802335 (E_RNA) where: Base-Base interactions energy: -7.312 where: short stacking energy: -7.312 Base-Backbone interact. energy: -0.000 local terms energy: -15.490676 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -2.649 flat angles P-C4'-P energy: -2.042 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: 1, replica: 4 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -28.175190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.175190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.175190 (E_RNA) where: Base-Base interactions energy: -11.322 where: short stacking energy: -11.322 Base-Backbone interact. energy: -0.000 local terms energy: -16.852719 where: bonds (distance) C4'-P energy: -2.697 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.063 flat angles P-C4'-P energy: -2.625 tors. eta vs tors. theta energy: -2.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -25.721587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.721587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.721587 (E_RNA) where: Base-Base interactions energy: -7.632 where: short stacking energy: -7.632 Base-Backbone interact. energy: -0.006 local terms energy: -18.083044 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.809 flat angles P-C4'-P energy: -3.567 tors. eta vs tors. theta energy: -1.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -25.029367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.029367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.029367 (E_RNA) where: Base-Base interactions energy: -7.333 where: short stacking energy: -7.333 Base-Backbone interact. energy: -0.001 local terms energy: -17.695253 where: bonds (distance) C4'-P energy: -4.270 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.969 flat angles P-C4'-P energy: -3.026 tors. eta vs tors. theta energy: -1.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -26.390828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.390828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.390828 (E_RNA) where: Base-Base interactions energy: -7.927 where: short stacking energy: -7.927 Base-Backbone interact. energy: -0.007 local terms energy: -18.456433 where: bonds (distance) C4'-P energy: -2.751 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.311 flat angles P-C4'-P energy: -3.523 tors. eta vs tors. theta energy: -2.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -28.299691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.299691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.299691 (E_RNA) where: Base-Base interactions energy: -9.844 where: short stacking energy: -9.844 Base-Backbone interact. energy: -0.000 local terms energy: -18.455565 where: bonds (distance) C4'-P energy: -2.457 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.097 flat angles P-C4'-P energy: -3.070 tors. eta vs tors. theta energy: -3.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -23.054007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.054007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.054007 (E_RNA) where: Base-Base interactions energy: -7.729 where: short stacking energy: -7.729 Base-Backbone interact. energy: -0.000 local terms energy: -15.325394 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -3.131 flat angles C4'-P-C4' energy: -3.424 flat angles P-C4'-P energy: -1.170 tors. eta vs tors. theta energy: -3.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -26.014277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.014277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.014277 (E_RNA) where: Base-Base interactions energy: -8.217 where: short stacking energy: -8.217 Base-Backbone interact. energy: -0.000 local terms energy: -17.797696 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -3.289 flat angles P-C4'-P energy: -0.866 tors. eta vs tors. theta energy: -4.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -17.807083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.807083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.807083 (E_RNA) where: Base-Base interactions energy: -3.074 where: short stacking energy: -3.074 Base-Backbone interact. energy: -0.003 local terms energy: -14.730552 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.692 flat angles P-C4'-P energy: -3.492 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: 9, replica: 2 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -23.678843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.678843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.678843 (E_RNA) where: Base-Base interactions energy: -8.361 where: short stacking energy: -8.361 Base-Backbone interact. energy: -0.003 local terms energy: -15.314815 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -3.202 flat angles C4'-P-C4' energy: -4.786 flat angles P-C4'-P energy: -2.840 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: 10 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -24.362491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.362491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.362491 (E_RNA) where: Base-Base interactions energy: -4.183 where: short stacking energy: -4.183 Base-Backbone interact. energy: -0.000 local terms energy: -20.179095 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.368 flat angles P-C4'-P energy: -3.559 tors. eta vs tors. theta energy: -2.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -27.297919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.297919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.297919 (E_RNA) where: Base-Base interactions energy: -7.719 where: short stacking energy: -7.719 Base-Backbone interact. energy: -0.000 local terms energy: -19.579064 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -4.337 flat angles P-C4'-P energy: -2.266 tors. eta vs tors. theta energy: -4.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -28.499525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.499525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.499525 (E_RNA) where: Base-Base interactions energy: -10.089 where: short stacking energy: -10.089 Base-Backbone interact. energy: -0.002 local terms energy: -18.408487 where: bonds (distance) C4'-P energy: -2.954 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.212 flat angles P-C4'-P energy: -3.072 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: 3, replica: 5 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -26.615223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.615223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.615223 (E_RNA) where: Base-Base interactions energy: -11.190 where: short stacking energy: -11.190 Base-Backbone interact. energy: -0.000 local terms energy: -15.425238 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -2.508 flat angles P-C4'-P energy: -1.882 tors. eta vs tors. theta energy: -2.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -22.701697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.701697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.701697 (E_RNA) where: Base-Base interactions energy: -6.773 where: short stacking energy: -6.773 Base-Backbone interact. energy: -0.018 local terms energy: -15.910579 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -4.440 flat angles P-C4'-P energy: -3.013 tors. eta vs tors. theta energy: 0.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -23.983250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.983250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.983250 (E_RNA) where: Base-Base interactions energy: -6.827 where: short stacking energy: -6.827 Base-Backbone interact. energy: -0.000 local terms energy: -17.156297 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -3.671 flat angles P-C4'-P energy: -3.376 tors. eta vs tors. theta energy: -1.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -24.498337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.498337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.498337 (E_RNA) where: Base-Base interactions energy: -10.651 where: short stacking energy: -10.651 Base-Backbone interact. energy: -0.001 local terms energy: -13.846605 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -2.240 flat angles P-C4'-P energy: -2.430 tors. eta vs tors. theta energy: -0.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -21.010682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.010682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.010682 (E_RNA) where: Base-Base interactions energy: -3.414 where: short stacking energy: -3.414 Base-Backbone interact. energy: -0.001 local terms energy: -17.595437 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -4.329 flat angles P-C4'-P energy: -2.816 tors. eta vs tors. theta energy: -2.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -20.806205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.806205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.806205 (E_RNA) where: Base-Base interactions energy: -3.678 where: short stacking energy: -3.678 Base-Backbone interact. energy: -0.000 local terms energy: -17.127908 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.335 flat angles P-C4'-P energy: -2.852 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: 9, replica: 9 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -19.592342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.592342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.592342 (E_RNA) where: Base-Base interactions energy: -2.417 where: short stacking energy: -2.417 Base-Backbone interact. energy: -0.000 local terms energy: -17.174841 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -2.512 flat angles P-C4'-P energy: -3.689 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: 10, replica: 10 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -20.934360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.934360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.934360 (E_RNA) where: Base-Base interactions energy: -4.608 where: short stacking energy: -4.608 Base-Backbone interact. energy: -0.004 local terms energy: -16.323203 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -2.775 flat angles P-C4'-P energy: -3.040 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: 1, replica: 6 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -26.778500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.778500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.778500 (E_RNA) where: Base-Base interactions energy: -10.712 where: short stacking energy: -10.712 Base-Backbone interact. energy: -0.000 local terms energy: -16.066611 where: bonds (distance) C4'-P energy: -3.264 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -3.726 flat angles P-C4'-P energy: -2.052 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: 2, replica: 4 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -29.663548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.663548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.663548 (E_RNA) where: Base-Base interactions energy: -11.908 where: short stacking energy: -11.908 Base-Backbone interact. energy: -0.005 local terms energy: -17.750735 where: bonds (distance) C4'-P energy: -3.161 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -3.419 flat angles P-C4'-P energy: -2.889 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: 3, replica: 3 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -26.870968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.870968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.870968 (E_RNA) where: Base-Base interactions energy: -7.632 where: short stacking energy: -7.632 Base-Backbone interact. energy: -0.035 local terms energy: -19.204437 where: bonds (distance) C4'-P energy: -3.487 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.299 flat angles P-C4'-P energy: -3.493 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: 5 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -28.866867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.866867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.866867 (E_RNA) where: Base-Base interactions energy: -8.086 where: short stacking energy: -8.086 Base-Backbone interact. energy: -0.000 local terms energy: -20.780391 where: bonds (distance) C4'-P energy: -3.314 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.290 flat angles P-C4'-P energy: -3.586 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: 7 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -26.065783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.065783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.065783 (E_RNA) where: Base-Base interactions energy: -9.801 where: short stacking energy: -9.801 Base-Backbone interact. energy: -0.010 local terms energy: -16.254815 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -3.916 flat angles C4'-P-C4' energy: -0.018 flat angles P-C4'-P energy: -4.135 tors. eta vs tors. theta energy: -3.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -22.428714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.428714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.428714 (E_RNA) where: Base-Base interactions energy: -4.322 where: short stacking energy: -4.322 Base-Backbone interact. energy: -0.844 local terms energy: -17.263356 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.595 flat angles P-C4'-P energy: -2.503 tors. eta vs tors. theta energy: -0.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -22.635222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.635222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.635222 (E_RNA) where: Base-Base interactions energy: -7.805 where: short stacking energy: -7.805 Base-Backbone interact. energy: -0.000 local terms energy: -14.829999 where: bonds (distance) C4'-P energy: -2.121 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -4.485 flat angles P-C4'-P energy: -2.142 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: 8, replica: 1 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -19.292216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.292216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.292216 (E_RNA) where: Base-Base interactions energy: -5.940 where: short stacking energy: -5.940 Base-Backbone interact. energy: -0.000 local terms energy: -13.351784 where: bonds (distance) C4'-P energy: -3.708 bonds (distance) P-C4' energy: -3.071 flat angles C4'-P-C4' energy: -4.780 flat angles P-C4'-P energy: -1.932 tors. eta vs tors. theta energy: 0.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -19.382989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.382989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.382989 (E_RNA) where: Base-Base interactions energy: -4.214 where: short stacking energy: -4.214 Base-Backbone interact. energy: -0.048 local terms energy: -15.120806 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -3.347 flat angles P-C4'-P energy: -2.076 tors. eta vs tors. theta energy: -1.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -19.797380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.797380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.797380 (E_RNA) where: Base-Base interactions energy: -4.013 where: short stacking energy: -4.013 Base-Backbone interact. energy: -0.005 local terms energy: -15.779406 where: bonds (distance) C4'-P energy: -3.380 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.765 flat angles P-C4'-P energy: -2.874 tors. eta vs tors. theta energy: -0.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -27.139699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.139699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.139699 (E_RNA) where: Base-Base interactions energy: -12.123 where: short stacking energy: -12.123 Base-Backbone interact. energy: -0.000 local terms energy: -15.017077 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -2.453 flat angles P-C4'-P energy: -1.895 tors. eta vs tors. theta energy: -1.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -27.585902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.585902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.585902 (E_RNA) where: Base-Base interactions energy: -10.159 where: short stacking energy: -10.159 Base-Backbone interact. energy: -0.000 local terms energy: -17.426859 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.181 flat angles P-C4'-P energy: -2.972 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: 3, replica: 4 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -25.055535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.055535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.055535 (E_RNA) where: Base-Base interactions energy: -6.827 where: short stacking energy: -6.827 Base-Backbone interact. energy: -0.033 local terms energy: -18.196117 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.358 flat angles P-C4'-P energy: -2.857 tors. eta vs tors. theta energy: -1.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -24.479586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.479586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.479586 (E_RNA) where: Base-Base interactions energy: -9.277 where: short stacking energy: -9.277 Base-Backbone interact. energy: -0.000 local terms energy: -15.202645 where: bonds (distance) C4'-P energy: -2.299 bonds (distance) P-C4' energy: -3.131 flat angles C4'-P-C4' energy: -4.133 flat angles P-C4'-P energy: -2.243 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: 5, replica: 5 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -24.154840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.154840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.154840 (E_RNA) where: Base-Base interactions energy: -10.257 where: short stacking energy: -10.257 Base-Backbone interact. energy: -0.000 local terms energy: -13.897427 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: 0.817 flat angles P-C4'-P energy: -2.653 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: 6, replica: 2 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -22.502354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.502354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.502354 (E_RNA) where: Base-Base interactions energy: -6.846 where: short stacking energy: -6.846 Base-Backbone interact. energy: -0.448 local terms energy: -15.208674 where: bonds (distance) C4'-P energy: -3.380 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.012 flat angles P-C4'-P energy: -1.532 tors. eta vs tors. theta energy: -1.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -26.990605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.990605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.990605 (E_RNA) where: Base-Base interactions energy: -9.423 where: short stacking energy: -9.423 Base-Backbone interact. energy: -0.000 local terms energy: -17.567378 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -4.623 flat angles P-C4'-P energy: -1.616 tors. eta vs tors. theta energy: -2.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -21.892699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.892699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.892699 (E_RNA) where: Base-Base interactions energy: -6.612 where: short stacking energy: -6.612 Base-Backbone interact. energy: -0.003 local terms energy: -15.276875 where: bonds (distance) C4'-P energy: -3.761 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -0.815 flat angles P-C4'-P energy: -3.337 tors. eta vs tors. theta energy: -2.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -20.985423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.985423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.985423 (E_RNA) where: Base-Base interactions energy: -4.907 where: short stacking energy: -4.907 Base-Backbone interact. energy: 0.243 local terms energy: -16.322054 where: bonds (distance) C4'-P energy: -2.867 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.224 flat angles P-C4'-P energy: -3.453 tors. eta vs tors. theta energy: -1.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -24.276227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.276227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.276227 (E_RNA) where: Base-Base interactions energy: -8.159 where: short stacking energy: -8.159 Base-Backbone interact. energy: -0.000 local terms energy: -16.116824 where: bonds (distance) C4'-P energy: -3.169 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.801 flat angles P-C4'-P energy: -1.044 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: 1, replica: 3 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -27.452463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.452463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.452463 (E_RNA) where: Base-Base interactions energy: -7.316 where: short stacking energy: -7.316 Base-Backbone interact. energy: -0.000 local terms energy: -20.136623 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.349 flat angles P-C4'-P energy: -3.759 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: 6 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -25.350121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.350121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.350121 (E_RNA) where: Base-Base interactions energy: -11.843 where: short stacking energy: -11.843 Base-Backbone interact. energy: -0.084 local terms energy: -13.423332 where: bonds (distance) C4'-P energy: -2.892 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -3.023 flat angles P-C4'-P energy: -1.396 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: 3, replica: 7 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -27.549567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.549567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.549567 (E_RNA) where: Base-Base interactions energy: -10.278 where: short stacking energy: -10.278 Base-Backbone interact. energy: -0.001 local terms energy: -17.270761 where: bonds (distance) C4'-P energy: -3.442 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.066 flat angles P-C4'-P energy: -3.200 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: 4 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -26.887556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.887556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.887556 (E_RNA) where: Base-Base interactions energy: -7.366 where: short stacking energy: -7.366 Base-Backbone interact. energy: -0.000 local terms energy: -19.521228 where: bonds (distance) C4'-P energy: -3.128 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.795 flat angles P-C4'-P energy: -3.616 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: 5, replica: 5 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -22.823611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.823611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.823611 (E_RNA) where: Base-Base interactions energy: -8.251 where: short stacking energy: -8.251 Base-Backbone interact. energy: -0.001 local terms energy: -14.571621 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.286 flat angles P-C4'-P energy: -0.940 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: 6, replica: 2 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -22.444080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.444080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.444080 (E_RNA) where: Base-Base interactions energy: -7.168 where: short stacking energy: -7.168 Base-Backbone interact. energy: -0.013 local terms energy: -15.262475 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.416 flat angles C4'-P-C4' energy: -2.288 flat angles P-C4'-P energy: -3.425 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: 7, replica: 10 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -28.070800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.070800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.070800 (E_RNA) where: Base-Base interactions energy: -10.960 where: short stacking energy: -10.960 Base-Backbone interact. energy: -0.001 local terms energy: -17.110185 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -2.834 flat angles P-C4'-P energy: -3.211 tors. eta vs tors. theta energy: -1.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -25.124631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.124631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.124631 (E_RNA) where: Base-Base interactions energy: -8.306 where: short stacking energy: -8.306 Base-Backbone interact. energy: -0.000 local terms energy: -16.818932 where: bonds (distance) C4'-P energy: -3.268 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.741 flat angles P-C4'-P energy: -3.153 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: 9, replica: 9 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -19.874342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.874342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.874342 (E_RNA) where: Base-Base interactions energy: -4.084 where: short stacking energy: -4.084 Base-Backbone interact. energy: -0.221 local terms energy: -15.569311 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -3.360 flat angles C4'-P-C4' energy: -4.024 flat angles P-C4'-P energy: -2.822 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: 10, replica: 1 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -21.647611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.647611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.647611 (E_RNA) where: Base-Base interactions energy: -6.555 where: short stacking energy: -6.555 Base-Backbone interact. energy: -0.000 local terms energy: -15.092949 where: bonds (distance) C4'-P energy: -3.567 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.207 flat angles P-C4'-P energy: 0.291 tors. eta vs tors. theta energy: -4.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -32.623256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.623256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.623256 (E_RNA) where: Base-Base interactions energy: -11.055 where: short stacking energy: -11.055 Base-Backbone interact. energy: -0.000 local terms energy: -21.568426 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.609 flat angles P-C4'-P energy: -3.224 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: 7 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -30.501395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.501395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.501395 (E_RNA) where: Base-Base interactions energy: -11.932 where: short stacking energy: -11.932 Base-Backbone interact. energy: -0.807 local terms energy: -17.762864 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.324 flat angles C4'-P-C4' energy: -3.984 flat angles P-C4'-P energy: -3.158 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: 3, replica: 6 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -24.742000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.742000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.742000 (E_RNA) where: Base-Base interactions energy: -9.964 where: short stacking energy: -9.964 Base-Backbone interact. energy: -0.002 local terms energy: -14.776331 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -2.607 flat angles C4'-P-C4' energy: -4.098 flat angles P-C4'-P energy: -2.074 tors. eta vs tors. theta energy: -1.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -25.645892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.645892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.645892 (E_RNA) where: Base-Base interactions energy: -7.512 where: short stacking energy: -7.512 Base-Backbone interact. energy: -0.000 local terms energy: -18.134280 where: bonds (distance) C4'-P energy: -3.194 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.972 flat angles P-C4'-P energy: -1.385 tors. eta vs tors. theta energy: -5.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -28.939495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.939495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.939495 (E_RNA) where: Base-Base interactions energy: -10.334 where: short stacking energy: -10.334 Base-Backbone interact. energy: -0.000 local terms energy: -18.605759 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.633 flat angles P-C4'-P energy: -1.347 tors. eta vs tors. theta energy: -2.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -26.814768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.814768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.814768 (E_RNA) where: Base-Base interactions energy: -7.536 where: short stacking energy: -7.536 Base-Backbone interact. energy: -0.001 local terms energy: -19.278203 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.167 flat angles P-C4'-P energy: -3.107 tors. eta vs tors. theta energy: -2.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -22.208303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.208303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.208303 (E_RNA) where: Base-Base interactions energy: -6.660 where: short stacking energy: -6.660 Base-Backbone interact. energy: -0.114 local terms energy: -15.434409 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -2.842 flat angles C4'-P-C4' energy: -4.025 flat angles P-C4'-P energy: -2.820 tors. eta vs tors. theta energy: -1.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -22.822311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.822311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.822311 (E_RNA) where: Base-Base interactions energy: -4.518 where: short stacking energy: -4.518 Base-Backbone interact. energy: -0.000 local terms energy: -18.304477 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -3.440 flat angles P-C4'-P energy: -3.207 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: 9, replica: 8 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -22.126206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.126206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.126206 (E_RNA) where: Base-Base interactions energy: -4.076 where: short stacking energy: -4.076 Base-Backbone interact. energy: -1.046 local terms energy: -17.004362 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.978 flat angles P-C4'-P energy: -3.892 tors. eta vs tors. theta energy: 0.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -23.380492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.380492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.380492 (E_RNA) where: Base-Base interactions energy: -7.537 where: short stacking energy: -7.537 Base-Backbone interact. energy: -0.004 local terms energy: -15.839229 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.449 flat angles P-C4'-P energy: -2.024 tors. eta vs tors. theta energy: -0.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -26.126085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.126085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.126085 (E_RNA) where: Base-Base interactions energy: -7.214 where: short stacking energy: -7.214 Base-Backbone interact. energy: -0.001 local terms energy: -18.911464 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.687 flat angles P-C4'-P energy: -3.522 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: 2, replica: 3 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -26.288050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.288050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.288050 (E_RNA) where: Base-Base interactions energy: -7.596 where: short stacking energy: -7.596 Base-Backbone interact. energy: -0.000 local terms energy: -18.692494 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.364 flat angles P-C4'-P energy: -2.657 tors. eta vs tors. theta energy: -2.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -28.270524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.270524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.270524 (E_RNA) where: Base-Base interactions energy: -7.926 where: short stacking energy: -7.926 Base-Backbone interact. energy: -0.000 local terms energy: -20.344518 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.498 flat angles P-C4'-P energy: -2.964 tors. eta vs tors. theta energy: -4.430 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: 4, replica: 6 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -26.288910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.288910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.288910 (E_RNA) where: Base-Base interactions energy: -8.790 where: short stacking energy: -8.790 Base-Backbone interact. energy: -0.000 local terms energy: -17.498848 where: bonds (distance) C4'-P energy: -4.039 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.480 flat angles P-C4'-P energy: -3.008 tors. eta vs tors. theta energy: -1.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -23.310274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.310274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.310274 (E_RNA) where: Base-Base interactions energy: -7.285 where: short stacking energy: -7.285 Base-Backbone interact. energy: -0.023 local terms energy: -16.002034 where: bonds (distance) C4'-P energy: -2.928 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.990 flat angles P-C4'-P energy: -2.307 tors. eta vs tors. theta energy: -1.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -27.706540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.706540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.706540 (E_RNA) where: Base-Base interactions energy: -10.384 where: short stacking energy: -10.384 Base-Backbone interact. energy: -0.000 local terms energy: -17.322951 where: bonds (distance) C4'-P energy: -3.210 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.258 flat angles P-C4'-P energy: -3.264 tors. eta vs tors. theta energy: -2.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -23.100138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.100138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.100138 (E_RNA) where: Base-Base interactions energy: -8.219 where: short stacking energy: -8.219 Base-Backbone interact. energy: -0.000 local terms energy: -14.881441 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -2.815 flat angles P-C4'-P energy: -1.685 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: 8, replica: 2 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -18.991966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.991966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.991966 (E_RNA) where: Base-Base interactions energy: -2.737 where: short stacking energy: -2.737 Base-Backbone interact. energy: -0.004 local terms energy: -16.250270 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -4.241 flat angles P-C4'-P energy: -3.088 tors. eta vs tors. theta energy: -0.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -23.665688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.665688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.665688 (E_RNA) where: Base-Base interactions energy: -8.422 where: short stacking energy: -8.422 Base-Backbone interact. energy: -0.001 local terms energy: -15.241896 where: bonds (distance) C4'-P energy: -2.163 bonds (distance) P-C4' energy: -3.811 flat angles C4'-P-C4' energy: -3.726 flat angles P-C4'-P energy: -2.847 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: 10, replica: 8 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -21.061696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.061696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.061696 (E_RNA) where: Base-Base interactions energy: -5.150 where: short stacking energy: -5.150 Base-Backbone interact. energy: -0.022 local terms energy: -15.889806 where: bonds (distance) C4'-P energy: -4.535 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -1.872 flat angles P-C4'-P energy: -2.986 tors. eta vs tors. theta energy: -1.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -30.950293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.950293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.950293 (E_RNA) where: Base-Base interactions energy: -11.883 where: short stacking energy: -11.883 Base-Backbone interact. energy: -0.000 local terms energy: -19.067716 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -4.250 flat angles P-C4'-P energy: -1.697 tors. eta vs tors. theta energy: -4.119 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: 5 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -26.765504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.765504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.765504 (E_RNA) where: Base-Base interactions energy: -7.907 where: short stacking energy: -7.907 Base-Backbone interact. energy: -0.535 local terms energy: -18.323700 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.466 flat angles P-C4'-P energy: -2.527 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: 3, replica: 3 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -25.343783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.343783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.343783 (E_RNA) where: Base-Base interactions energy: -8.703 where: short stacking energy: -8.703 Base-Backbone interact. energy: -0.000 local terms energy: -16.640411 where: bonds (distance) C4'-P energy: -3.198 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.363 flat angles P-C4'-P energy: -2.377 tors. eta vs tors. theta energy: -1.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -29.167689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.167689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.167689 (E_RNA) where: Base-Base interactions energy: -12.708 where: short stacking energy: -12.708 Base-Backbone interact. energy: -0.000 local terms energy: -16.459545 where: bonds (distance) C4'-P energy: -2.494 bonds (distance) P-C4' energy: -2.388 flat angles C4'-P-C4' energy: -4.678 flat angles P-C4'-P energy: -2.773 tors. eta vs tors. theta energy: -4.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -24.293693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.293693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.293693 (E_RNA) where: Base-Base interactions energy: -7.055 where: short stacking energy: -7.055 Base-Backbone interact. energy: -0.001 local terms energy: -17.237728 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -2.698 flat angles P-C4'-P energy: -2.492 tors. eta vs tors. theta energy: -2.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -21.916329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.916329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.916329 (E_RNA) where: Base-Base interactions energy: -7.278 where: short stacking energy: -7.278 Base-Backbone interact. energy: -0.058 local terms energy: -14.579862 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.417 flat angles C4'-P-C4' energy: -3.141 flat angles P-C4'-P energy: -3.024 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: 7, replica: 4 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -24.269160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.269160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.269160 (E_RNA) where: Base-Base interactions energy: -7.817 where: short stacking energy: -7.817 Base-Backbone interact. energy: -0.000 local terms energy: -16.452087 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.244 flat angles P-C4'-P energy: -0.918 tors. eta vs tors. theta energy: -1.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -21.094421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.094421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.094421 (E_RNA) where: Base-Base interactions energy: -6.813 where: short stacking energy: -6.813 Base-Backbone interact. energy: -0.000 local terms energy: -14.280909 where: bonds (distance) C4'-P energy: -2.379 bonds (distance) P-C4' energy: -2.448 flat angles C4'-P-C4' energy: -3.670 flat angles P-C4'-P energy: -3.338 tors. eta vs tors. theta energy: -2.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -21.656671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.656671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.656671 (E_RNA) where: Base-Base interactions energy: -5.644 where: short stacking energy: -5.644 Base-Backbone interact. energy: -0.031 local terms energy: -15.981397 where: bonds (distance) C4'-P energy: -3.861 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -2.251 flat angles P-C4'-P energy: -2.693 tors. eta vs tors. theta energy: -2.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -20.320521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.320521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.320521 (E_RNA) where: Base-Base interactions energy: -3.521 where: short stacking energy: -3.521 Base-Backbone interact. energy: -0.000 local terms energy: -16.799281 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -2.870 flat angles P-C4'-P energy: -3.045 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: 5 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -27.913964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.913964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.913964 (E_RNA) where: Base-Base interactions energy: -11.693 where: short stacking energy: -11.693 Base-Backbone interact. energy: -0.000 local terms energy: -16.221389 where: bonds (distance) C4'-P energy: -3.513 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.453 flat angles P-C4'-P energy: -2.003 tors. eta vs tors. theta energy: -2.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -26.410238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.410238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.410238 (E_RNA) where: Base-Base interactions energy: -6.661 where: short stacking energy: -6.661 Base-Backbone interact. energy: -0.000 local terms energy: -19.749265 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.061 flat angles P-C4'-P energy: -3.384 tors. eta vs tors. theta energy: -3.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -25.884395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.884395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.884395 (E_RNA) where: Base-Base interactions energy: -7.751 where: short stacking energy: -7.751 Base-Backbone interact. energy: -0.000 local terms energy: -18.133662 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -3.987 flat angles C4'-P-C4' energy: -3.490 flat angles P-C4'-P energy: -3.588 tors. eta vs tors. theta energy: -3.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -23.084651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.084651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.084651 (E_RNA) where: Base-Base interactions energy: -7.301 where: short stacking energy: -7.301 Base-Backbone interact. energy: -0.000 local terms energy: -15.783650 where: bonds (distance) C4'-P energy: -2.962 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.331 flat angles P-C4'-P energy: -0.834 tors. eta vs tors. theta energy: -2.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -23.028787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.028787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.028787 (E_RNA) where: Base-Base interactions energy: -9.625 where: short stacking energy: -9.625 Base-Backbone interact. energy: -0.000 local terms energy: -13.403265 where: bonds (distance) C4'-P energy: -3.823 bonds (distance) P-C4' energy: -3.825 flat angles C4'-P-C4' energy: -3.620 flat angles P-C4'-P energy: -1.226 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: 10 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -20.532505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.532505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.532505 (E_RNA) where: Base-Base interactions energy: -3.977 where: short stacking energy: -3.977 Base-Backbone interact. energy: -0.026 local terms energy: -16.529452 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.157 flat angles P-C4'-P energy: -2.235 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: 416 Temperature: 1.200000 Total energy: -24.977556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.977556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.977556 (E_RNA) where: Base-Base interactions energy: -8.256 where: short stacking energy: -8.256 Base-Backbone interact. energy: -0.000 local terms energy: -16.721793 where: bonds (distance) C4'-P energy: -2.457 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.614 flat angles P-C4'-P energy: -1.931 tors. eta vs tors. theta energy: -2.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -26.038571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.038571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.038571 (E_RNA) where: Base-Base interactions energy: -10.136 where: short stacking energy: -10.136 Base-Backbone interact. energy: -0.000 local terms energy: -15.902593 where: bonds (distance) C4'-P energy: -2.051 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -2.696 flat angles P-C4'-P energy: -3.141 tors. eta vs tors. theta energy: -3.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -20.938128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.938128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.938128 (E_RNA) where: Base-Base interactions energy: -3.539 where: short stacking energy: -3.539 Base-Backbone interact. energy: -0.018 local terms energy: -17.381309 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.520 flat angles P-C4'-P energy: -3.568 tors. eta vs tors. theta energy: -1.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -22.360731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.360731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.360731 (E_RNA) where: Base-Base interactions energy: -6.170 where: short stacking energy: -6.170 Base-Backbone interact. energy: -0.000 local terms energy: -16.190059 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -4.281 flat angles P-C4'-P energy: -3.325 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: 5 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -25.515964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.515964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.515964 (E_RNA) where: Base-Base interactions energy: -6.535 where: short stacking energy: -6.535 Base-Backbone interact. energy: -0.000 local terms energy: -18.981195 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.583 flat angles P-C4'-P energy: -3.502 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: 2, replica: 7 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -26.536902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.536902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.536902 (E_RNA) where: Base-Base interactions energy: -9.509 where: short stacking energy: -9.509 Base-Backbone interact. energy: -0.000 local terms energy: -17.027570 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.608 flat angles P-C4'-P energy: -2.034 tors. eta vs tors. theta energy: -1.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -23.750844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.750844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.750844 (E_RNA) where: Base-Base interactions energy: -6.821 where: short stacking energy: -6.821 Base-Backbone interact. energy: -0.000 local terms energy: -16.929591 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.724 flat angles P-C4'-P energy: -2.810 tors. eta vs tors. theta energy: -1.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -25.727638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.727638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.727638 (E_RNA) where: Base-Base interactions energy: -8.053 where: short stacking energy: -8.053 Base-Backbone interact. energy: -0.004 local terms energy: -17.670240 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -3.532 flat angles C4'-P-C4' energy: -3.646 flat angles P-C4'-P energy: -3.984 tors. eta vs tors. theta energy: -2.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -25.099865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.099865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.099865 (E_RNA) where: Base-Base interactions energy: -6.560 where: short stacking energy: -6.560 Base-Backbone interact. energy: -0.076 local terms energy: -18.464233 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.116 flat angles P-C4'-P energy: -3.453 tors. eta vs tors. theta energy: -1.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -25.095843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.095843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.095843 (E_RNA) where: Base-Base interactions energy: -6.841 where: short stacking energy: -6.841 Base-Backbone interact. energy: -0.000 local terms energy: -18.254707 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -2.998 flat angles P-C4'-P energy: -3.470 tors. eta vs tors. theta energy: -2.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -24.523896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.523896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.523896 (E_RNA) where: Base-Base interactions energy: -7.193 where: short stacking energy: -7.193 Base-Backbone interact. energy: -0.000 local terms energy: -17.330787 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -2.107 flat angles C4'-P-C4' energy: -2.588 flat angles P-C4'-P energy: -3.635 tors. eta vs tors. theta energy: -4.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -23.585983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.585983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.585983 (E_RNA) where: Base-Base interactions energy: -7.526 where: short stacking energy: -7.526 Base-Backbone interact. energy: -0.021 local terms energy: -16.038678 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.909 flat angles P-C4'-P energy: -2.429 tors. eta vs tors. theta energy: -0.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -20.026024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.026024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.026024 (E_RNA) where: Base-Base interactions energy: -4.550 where: short stacking energy: -4.550 Base-Backbone interact. energy: -0.000 local terms energy: -15.475672 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.544 flat angles P-C4'-P energy: -3.169 tors. eta vs tors. theta energy: 0.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -17.396457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -17.396457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -17.396457 (E_RNA) where: Base-Base interactions energy: -3.041 where: short stacking energy: -3.041 Base-Backbone interact. energy: -0.097 local terms energy: -14.258393 where: bonds (distance) C4'-P energy: -4.233 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -4.188 flat angles P-C4'-P energy: -2.139 tors. eta vs tors. theta energy: 0.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -27.789358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.789358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.789358 (E_RNA) where: Base-Base interactions energy: -11.640 where: short stacking energy: -11.640 Base-Backbone interact. energy: -0.004 local terms energy: -16.144841 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -2.684 flat angles C4'-P-C4' energy: -4.222 flat angles P-C4'-P energy: -2.490 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: 5 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -23.412666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.412666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.412666 (E_RNA) where: Base-Base interactions energy: -7.124 where: short stacking energy: -7.124 Base-Backbone interact. energy: -0.001 local terms energy: -16.287691 where: bonds (distance) C4'-P energy: -1.935 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.131 flat angles P-C4'-P energy: -3.473 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: 3, replica: 9 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -26.332072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.332072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.332072 (E_RNA) where: Base-Base interactions energy: -7.607 where: short stacking energy: -7.607 Base-Backbone interact. energy: -0.003 local terms energy: -18.723063 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -4.609 flat angles P-C4'-P energy: -3.728 tors. eta vs tors. theta energy: -2.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -26.486202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.486202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.486202 (E_RNA) where: Base-Base interactions energy: -9.994 where: short stacking energy: -9.994 Base-Backbone interact. energy: -0.000 local terms energy: -16.491683 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.498 flat angles P-C4'-P energy: -3.655 tors. eta vs tors. theta energy: 0.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -23.116430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.116430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.116430 (E_RNA) where: Base-Base interactions energy: -5.891 where: short stacking energy: -5.891 Base-Backbone interact. energy: -0.099 local terms energy: -17.126979 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -2.863 flat angles C4'-P-C4' energy: -4.202 flat angles P-C4'-P energy: -3.721 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: 6, replica: 3 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -22.694578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.694578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.694578 (E_RNA) where: Base-Base interactions energy: -7.954 where: short stacking energy: -7.954 Base-Backbone interact. energy: -0.007 local terms energy: -14.734203 where: bonds (distance) C4'-P energy: -3.211 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.659 flat angles P-C4'-P energy: -1.722 tors. eta vs tors. theta energy: -0.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -22.135945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.135945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.135945 (E_RNA) where: Base-Base interactions energy: -7.122 where: short stacking energy: -7.122 Base-Backbone interact. energy: -0.002 local terms energy: -15.012082 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -3.981 flat angles C4'-P-C4' energy: -3.219 flat angles P-C4'-P energy: -2.527 tors. eta vs tors. theta energy: -0.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -22.252526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.252526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.252526 (E_RNA) where: Base-Base interactions energy: -6.669 where: short stacking energy: -6.680 Base-Backbone interact. energy: -0.080 local terms energy: -15.503779 where: bonds (distance) C4'-P energy: -2.254 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.740 flat angles P-C4'-P energy: -2.227 tors. eta vs tors. theta energy: -1.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -25.880963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.880963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.880963 (E_RNA) where: Base-Base interactions energy: -9.948 where: short stacking energy: -9.948 Base-Backbone interact. energy: -0.019 local terms energy: -15.914483 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -3.578 flat angles C4'-P-C4' energy: -3.622 flat angles P-C4'-P energy: -2.450 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: 10, replica: 4 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -21.737276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.737276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.737276 (E_RNA) where: Base-Base interactions energy: -6.867 where: short stacking energy: -6.867 Base-Backbone interact. energy: -0.001 local terms energy: -14.868861 where: bonds (distance) C4'-P energy: -3.317 bonds (distance) P-C4' energy: -5.132 flat angles C4'-P-C4' energy: -3.763 flat angles P-C4'-P energy: -3.212 tors. eta vs tors. theta energy: 0.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -27.859496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.859496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.859496 (E_RNA) where: Base-Base interactions energy: -11.311 where: short stacking energy: -11.311 Base-Backbone interact. energy: -0.000 local terms energy: -16.548581 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -2.784 flat angles P-C4'-P energy: -2.748 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: 2, replica: 9 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -29.974897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.974897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.974897 (E_RNA) where: Base-Base interactions energy: -10.274 where: short stacking energy: -10.274 Base-Backbone interact. energy: -0.001 local terms energy: -19.699932 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.505 flat angles P-C4'-P energy: -3.319 tors. eta vs tors. theta energy: -2.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -27.008255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.008255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.008255 (E_RNA) where: Base-Base interactions energy: -7.289 where: short stacking energy: -7.289 Base-Backbone interact. energy: -0.042 local terms energy: -19.676948 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.542 flat angles P-C4'-P energy: -2.189 tors. eta vs tors. theta energy: -3.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -27.240060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.240060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.240060 (E_RNA) where: Base-Base interactions energy: -10.905 where: short stacking energy: -10.905 Base-Backbone interact. energy: -0.000 local terms energy: -16.334608 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -4.420 flat angles C4'-P-C4' energy: -4.732 flat angles P-C4'-P energy: -3.606 tors. eta vs tors. theta energy: -0.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -25.176380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.176380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.176380 (E_RNA) where: Base-Base interactions energy: -11.654 where: short stacking energy: -11.654 Base-Backbone interact. energy: -0.002 local terms energy: -13.521330 where: bonds (distance) C4'-P energy: -2.064 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.410 flat angles P-C4'-P energy: -2.266 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: 8 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -26.576861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.576861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.576861 (E_RNA) where: Base-Base interactions energy: -6.106 where: short stacking energy: -6.106 Base-Backbone interact. energy: -0.000 local terms energy: -20.470456 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.941 flat angles P-C4'-P energy: -2.907 tors. eta vs tors. theta energy: -4.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -21.350282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.350282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.350282 (E_RNA) where: Base-Base interactions energy: -4.525 where: short stacking energy: -4.525 Base-Backbone interact. energy: -0.000 local terms energy: -16.825064 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.896 flat angles P-C4'-P energy: -2.465 tors. eta vs tors. theta energy: -0.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -21.237945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.237945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.237945 (E_RNA) where: Base-Base interactions energy: -5.017 where: short stacking energy: -5.017 Base-Backbone interact. energy: -0.000 local terms energy: -16.220622 where: bonds (distance) C4'-P energy: -4.009 bonds (distance) P-C4' energy: -3.662 flat angles C4'-P-C4' energy: -4.065 flat angles P-C4'-P energy: -1.658 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: 9, replica: 10 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -21.304978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.304978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.304978 (E_RNA) where: Base-Base interactions energy: -6.237 where: short stacking energy: -6.237 Base-Backbone interact. energy: -0.000 local terms energy: -15.068135 where: bonds (distance) C4'-P energy: -3.045 bonds (distance) P-C4' energy: -2.615 flat angles C4'-P-C4' energy: -4.435 flat angles P-C4'-P energy: -3.346 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: 10, replica: 4 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -19.975761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.975761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.975761 (E_RNA) where: Base-Base interactions energy: -5.061 where: short stacking energy: -5.061 Base-Backbone interact. energy: -0.015 local terms energy: -14.900370 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.057 flat angles C4'-P-C4' energy: -3.504 flat angles P-C4'-P energy: -2.972 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: 9 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -28.164676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.164676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.164676 (E_RNA) where: Base-Base interactions energy: -9.666 where: short stacking energy: -9.666 Base-Backbone interact. energy: -0.000 local terms energy: -18.498148 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -4.367 flat angles C4'-P-C4' energy: -3.551 flat angles P-C4'-P energy: -3.198 tors. eta vs tors. theta energy: -3.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -26.119637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.119637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.119637 (E_RNA) where: Base-Base interactions energy: -6.829 where: short stacking energy: -6.829 Base-Backbone interact. energy: -0.000 local terms energy: -19.289938 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.152 flat angles C4'-P-C4' energy: -4.240 flat angles P-C4'-P energy: -2.241 tors. eta vs tors. theta energy: -4.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -23.545995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.545995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.545995 (E_RNA) where: Base-Base interactions energy: -6.071 where: short stacking energy: -6.071 Base-Backbone interact. energy: -0.000 local terms energy: -17.475143 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.233 flat angles P-C4'-P energy: -1.383 tors. eta vs tors. theta energy: -2.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -25.094997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.094997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.094997 (E_RNA) where: Base-Base interactions energy: -7.997 where: short stacking energy: -7.997 Base-Backbone interact. energy: -0.019 local terms energy: -17.078736 where: bonds (distance) C4'-P energy: -2.962 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -4.628 flat angles P-C4'-P energy: -3.843 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: 5, replica: 8 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -27.574252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.574252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.574252 (E_RNA) where: Base-Base interactions energy: -6.972 where: short stacking energy: -6.972 Base-Backbone interact. energy: -0.000 local terms energy: -20.602323 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.715 flat angles P-C4'-P energy: -2.625 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: 6, replica: 6 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -23.941826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.941826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.941826 (E_RNA) where: Base-Base interactions energy: -7.450 where: short stacking energy: -7.450 Base-Backbone interact. energy: -0.000 local terms energy: -16.491301 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -3.815 flat angles C4'-P-C4' energy: -3.533 flat angles P-C4'-P energy: -2.435 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: 7, replica: 2 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -25.914637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.914637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.914637 (E_RNA) where: Base-Base interactions energy: -8.109 where: short stacking energy: -8.109 Base-Backbone interact. energy: -0.000 local terms energy: -17.805852 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -2.417 flat angles P-C4'-P energy: -2.937 tors. eta vs tors. theta energy: -3.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -19.384887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.384887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.384887 (E_RNA) where: Base-Base interactions energy: -3.649 where: short stacking energy: -3.649 Base-Backbone interact. energy: -0.007 local terms energy: -15.728426 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.305 flat angles P-C4'-P energy: -3.375 tors. eta vs tors. theta energy: 0.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -23.006868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.006868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.006868 (E_RNA) where: Base-Base interactions energy: -5.776 where: short stacking energy: -6.540 Base-Backbone interact. energy: -0.943 local terms energy: -16.288555 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.254 flat angles P-C4'-P energy: -2.725 tors. eta vs tors. theta energy: -1.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -21.636292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.636292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.636292 (E_RNA) where: Base-Base interactions energy: -6.098 where: short stacking energy: -6.098 Base-Backbone interact. energy: -0.000 local terms energy: -15.538162 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -3.811 flat angles C4'-P-C4' energy: -3.738 flat angles P-C4'-P energy: -2.675 tors. eta vs tors. theta energy: -1.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -25.876469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.876469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.876469 (E_RNA) where: Base-Base interactions energy: -8.055 where: short stacking energy: -8.295 Base-Backbone interact. energy: -0.017 local terms energy: -17.805340 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.623 flat angles P-C4'-P energy: -2.625 tors. eta vs tors. theta energy: -1.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -28.665002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.665002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.665002 (E_RNA) where: Base-Base interactions energy: -11.213 where: short stacking energy: -11.213 Base-Backbone interact. energy: -0.097 local terms energy: -17.355150 where: bonds (distance) C4'-P energy: -3.513 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.070 flat angles P-C4'-P energy: -2.136 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: 3, replica: 7 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -22.832982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.832982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.832982 (E_RNA) where: Base-Base interactions energy: -4.381 where: short stacking energy: -4.381 Base-Backbone interact. energy: -0.000 local terms energy: -18.451747 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.129 flat angles P-C4'-P energy: -3.685 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: 4, replica: 1 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -25.759501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.759501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.759501 (E_RNA) where: Base-Base interactions energy: -8.645 where: short stacking energy: -8.645 Base-Backbone interact. energy: -0.000 local terms energy: -17.114495 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -2.870 flat angles C4'-P-C4' energy: -4.135 flat angles P-C4'-P energy: -2.025 tors. eta vs tors. theta energy: -4.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -23.903094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.903094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.903094 (E_RNA) where: Base-Base interactions energy: -5.628 where: short stacking energy: -5.628 Base-Backbone interact. energy: -0.000 local terms energy: -18.275411 where: bonds (distance) C4'-P energy: -4.039 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -2.801 flat angles P-C4'-P energy: -2.304 tors. eta vs tors. theta energy: -4.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -27.855214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.855214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.855214 (E_RNA) where: Base-Base interactions energy: -10.624 where: short stacking energy: -10.624 Base-Backbone interact. energy: -0.000 local terms energy: -17.231066 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.149 flat angles C4'-P-C4' energy: -3.159 flat angles P-C4'-P energy: -3.044 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: 2 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -22.220056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.220056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.220056 (E_RNA) where: Base-Base interactions energy: -6.885 where: short stacking energy: -6.885 Base-Backbone interact. energy: -0.020 local terms energy: -15.314892 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.855 flat angles P-C4'-P energy: -1.970 tors. eta vs tors. theta energy: 0.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -19.366403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.366403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.366403 (E_RNA) where: Base-Base interactions energy: -4.219 where: short stacking energy: -4.219 Base-Backbone interact. energy: -0.033 local terms energy: -15.115042 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.343 flat angles C4'-P-C4' energy: -2.414 flat angles P-C4'-P energy: -3.068 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: 3 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -19.848129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.848129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.848129 (E_RNA) where: Base-Base interactions energy: -5.585 where: short stacking energy: -5.585 Base-Backbone interact. energy: -0.000 local terms energy: -14.262921 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -3.341 flat angles P-C4'-P energy: -2.192 tors. eta vs tors. theta energy: -0.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -22.972719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.972719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.972719 (E_RNA) where: Base-Base interactions energy: -4.773 where: short stacking energy: -4.773 Base-Backbone interact. energy: -0.000 local terms energy: -18.200133 where: bonds (distance) C4'-P energy: -4.005 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.428 flat angles P-C4'-P energy: -1.426 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: 1, replica: 5 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -27.865646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.865646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.865646 (E_RNA) where: Base-Base interactions energy: -7.778 where: short stacking energy: -7.778 Base-Backbone interact. energy: -0.000 local terms energy: -20.087429 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.575 flat angles P-C4'-P energy: -3.529 tors. eta vs tors. theta energy: -4.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -28.814947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.814947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.814947 (E_RNA) where: Base-Base interactions energy: -10.720 where: short stacking energy: -10.720 Base-Backbone interact. energy: -0.000 local terms energy: -18.094792 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -4.397 flat angles P-C4'-P energy: -2.877 tors. eta vs tors. theta energy: -2.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -30.033193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.033193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.033193 (E_RNA) where: Base-Base interactions energy: -11.461 where: short stacking energy: -11.461 Base-Backbone interact. energy: -0.000 local terms energy: -18.572052 where: bonds (distance) C4'-P energy: -2.928 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.650 flat angles P-C4'-P energy: -3.720 tors. eta vs tors. theta energy: -3.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -27.045250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.045250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.045250 (E_RNA) where: Base-Base interactions energy: -9.617 where: short stacking energy: -9.617 Base-Backbone interact. energy: -0.000 local terms energy: -17.428206 where: bonds (distance) C4'-P energy: -3.869 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.816 flat angles P-C4'-P energy: -2.770 tors. eta vs tors. theta energy: -2.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -21.896929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.896929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.896929 (E_RNA) where: Base-Base interactions energy: -4.973 where: short stacking energy: -4.973 Base-Backbone interact. energy: -0.000 local terms energy: -16.924221 where: bonds (distance) C4'-P energy: -3.637 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.275 flat angles P-C4'-P energy: -1.924 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: 6, replica: 8 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -24.441618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.441618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.441618 (E_RNA) where: Base-Base interactions energy: -4.346 where: short stacking energy: -4.346 Base-Backbone interact. energy: -0.001 local terms energy: -20.094669 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.642 flat angles P-C4'-P energy: -3.559 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: 7, replica: 4 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -23.779928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.779928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.779928 (E_RNA) where: Base-Base interactions energy: -6.952 where: short stacking energy: -6.952 Base-Backbone interact. energy: -0.035 local terms energy: -16.792681 where: bonds (distance) C4'-P energy: -2.395 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.608 flat angles P-C4'-P energy: -3.824 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: 2 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -23.044738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.044738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.044738 (E_RNA) where: Base-Base interactions energy: -6.708 where: short stacking energy: -6.708 Base-Backbone interact. energy: -0.001 local terms energy: -16.335719 where: bonds (distance) C4'-P energy: -2.494 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.334 flat angles P-C4'-P energy: -2.713 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: 10 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -23.789823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.789823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.789823 (E_RNA) where: Base-Base interactions energy: -7.966 where: short stacking energy: -7.966 Base-Backbone interact. energy: -0.004 local terms energy: -15.819360 where: bonds (distance) C4'-P energy: -1.956 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -3.550 flat angles P-C4'-P energy: -3.264 tors. eta vs tors. theta energy: -2.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -22.302753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.302753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.302753 (E_RNA) where: Base-Base interactions energy: -6.605 where: short stacking energy: -6.605 Base-Backbone interact. energy: -0.000 local terms energy: -15.697399 where: bonds (distance) C4'-P energy: -1.873 bonds (distance) P-C4' energy: -4.575 flat angles C4'-P-C4' energy: -2.395 flat angles P-C4'-P energy: -2.525 tors. eta vs tors. theta energy: -4.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -28.114634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.114634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.114634 (E_RNA) where: Base-Base interactions energy: -11.542 where: short stacking energy: -11.542 Base-Backbone interact. energy: -0.000 local terms energy: -16.572604 where: bonds (distance) C4'-P energy: -1.306 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.289 flat angles P-C4'-P energy: -2.493 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: 2, replica: 1 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -27.017008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.017008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.017008 (E_RNA) where: Base-Base interactions energy: -8.049 where: short stacking energy: -8.049 Base-Backbone interact. energy: -0.000 local terms energy: -18.968308 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.446 flat angles P-C4'-P energy: -3.376 tors. eta vs tors. theta energy: -2.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -25.464235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.464235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.464235 (E_RNA) where: Base-Base interactions energy: -8.101 where: short stacking energy: -8.101 Base-Backbone interact. energy: -0.000 local terms energy: -17.363650 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -3.987 flat angles C4'-P-C4' energy: -4.534 flat angles P-C4'-P energy: -3.229 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: 4, replica: 6 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -22.963275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.963275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.963275 (E_RNA) where: Base-Base interactions energy: -7.147 where: short stacking energy: -7.247 Base-Backbone interact. energy: -0.000 local terms energy: -15.815709 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.024 flat angles P-C4'-P energy: -2.024 tors. eta vs tors. theta energy: -1.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -23.590276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.590276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.590276 (E_RNA) where: Base-Base interactions energy: -6.950 where: short stacking energy: -7.309 Base-Backbone interact. energy: -0.007 local terms energy: -16.633086 where: bonds (distance) C4'-P energy: -2.834 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.568 flat angles P-C4'-P energy: -3.871 tors. eta vs tors. theta energy: -1.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -26.795817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.795817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.795817 (E_RNA) where: Base-Base interactions energy: -10.698 where: short stacking energy: -10.698 Base-Backbone interact. energy: -0.000 local terms energy: -16.097949 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -3.755 flat angles C4'-P-C4' energy: -4.133 flat angles P-C4'-P energy: -2.793 tors. eta vs tors. theta energy: -1.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -24.154818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.154818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.154818 (E_RNA) where: Base-Base interactions energy: -6.651 where: short stacking energy: -6.651 Base-Backbone interact. energy: -0.000 local terms energy: -17.503292 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.257 flat angles P-C4'-P energy: -1.857 tors. eta vs tors. theta energy: -2.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -22.676817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.676817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.676817 (E_RNA) where: Base-Base interactions energy: -4.484 where: short stacking energy: -4.484 Base-Backbone interact. energy: -0.000 local terms energy: -18.193258 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.082 flat angles P-C4'-P energy: -3.751 tors. eta vs tors. theta energy: -1.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -20.511579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.511579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.511579 (E_RNA) where: Base-Base interactions energy: -3.729 where: short stacking energy: -3.729 Base-Backbone interact. energy: -0.001 local terms energy: -16.781533 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -2.506 flat angles P-C4'-P energy: -3.162 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: 10, replica: 3 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -21.616742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.616742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.616742 (E_RNA) where: Base-Base interactions energy: -6.629 where: short stacking energy: -6.629 Base-Backbone interact. energy: -0.001 local terms energy: -14.986638 where: bonds (distance) C4'-P energy: -3.380 bonds (distance) P-C4' energy: -3.786 flat angles C4'-P-C4' energy: -4.060 flat angles P-C4'-P energy: -3.363 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: 1 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -30.150152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.150152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.150152 (E_RNA) where: Base-Base interactions energy: -10.536 where: short stacking energy: -10.536 Base-Backbone interact. energy: -0.000 local terms energy: -19.613875 where: bonds (distance) C4'-P energy: -3.637 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.801 flat angles P-C4'-P energy: -3.758 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: 2, replica: 5 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -26.204512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.204512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.204512 (E_RNA) where: Base-Base interactions energy: -6.912 where: short stacking energy: -6.954 Base-Backbone interact. energy: -0.001 local terms energy: -19.291198 where: bonds (distance) C4'-P energy: -3.939 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -4.345 flat angles P-C4'-P energy: -3.880 tors. eta vs tors. theta energy: -2.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -24.751866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.751866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.751866 (E_RNA) where: Base-Base interactions energy: -7.529 where: short stacking energy: -7.529 Base-Backbone interact. energy: -0.786 local terms energy: -16.436420 where: bonds (distance) C4'-P energy: -2.751 bonds (distance) P-C4' energy: -4.631 flat angles C4'-P-C4' energy: -4.328 flat angles P-C4'-P energy: -2.965 tors. eta vs tors. theta energy: -1.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -23.550369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.550369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.550369 (E_RNA) where: Base-Base interactions energy: -8.181 where: short stacking energy: -8.181 Base-Backbone interact. energy: -0.000 local terms energy: -15.369082 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.053 flat angles C4'-P-C4' energy: -4.746 flat angles P-C4'-P energy: -2.916 tors. eta vs tors. theta energy: 0.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -22.037036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.037036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.037036 (E_RNA) where: Base-Base interactions energy: -3.815 where: short stacking energy: -3.815 Base-Backbone interact. energy: -0.000 local terms energy: -18.221845 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.471 flat angles P-C4'-P energy: -1.392 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: 6, replica: 4 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -21.707047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.707047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.707047 (E_RNA) where: Base-Base interactions energy: -5.871 where: short stacking energy: -5.871 Base-Backbone interact. energy: -0.044 local terms energy: -15.791629 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.113 flat angles P-C4'-P energy: -1.104 tors. eta vs tors. theta energy: -1.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -25.990124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.990124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.990124 (E_RNA) where: Base-Base interactions energy: -8.686 where: short stacking energy: -8.686 Base-Backbone interact. energy: -0.000 local terms energy: -17.304263 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -4.180 flat angles C4'-P-C4' energy: -4.222 flat angles P-C4'-P energy: -2.548 tors. eta vs tors. theta energy: -3.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -21.824199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.824199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.824199 (E_RNA) where: Base-Base interactions energy: -6.693 where: short stacking energy: -6.693 Base-Backbone interact. energy: -0.000 local terms energy: -15.131503 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.206 flat angles P-C4'-P energy: -1.694 tors. eta vs tors. theta energy: -0.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -21.428954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.428954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.428954 (E_RNA) where: Base-Base interactions energy: -6.038 where: short stacking energy: -6.038 Base-Backbone interact. energy: -0.000 local terms energy: -15.390927 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -1.918 flat angles P-C4'-P energy: -2.189 tors. eta vs tors. theta energy: -1.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -21.012727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.012727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.012727 (E_RNA) where: Base-Base interactions energy: -5.691 where: short stacking energy: -5.691 Base-Backbone interact. energy: -0.028 local terms energy: -15.293968 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.268 flat angles P-C4'-P energy: -2.456 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: 1, replica: 1 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -27.803878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.803878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.803878 (E_RNA) where: Base-Base interactions energy: -7.678 where: short stacking energy: -7.678 Base-Backbone interact. energy: -0.000 local terms energy: -20.125840 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -3.749 flat angles P-C4'-P energy: -3.420 tors. eta vs tors. theta energy: -4.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -28.816627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.816627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.816627 (E_RNA) where: Base-Base interactions energy: -11.018 where: short stacking energy: -11.018 Base-Backbone interact. energy: -0.000 local terms energy: -17.798760 where: bonds (distance) C4'-P energy: -2.759 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.309 flat angles P-C4'-P energy: -3.130 tors. eta vs tors. theta energy: -3.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -24.644136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.644136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.644136 (E_RNA) where: Base-Base interactions energy: -8.181 where: short stacking energy: -8.181 Base-Backbone interact. energy: -0.008 local terms energy: -16.455677 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -3.926 flat angles C4'-P-C4' energy: -4.258 flat angles P-C4'-P energy: -3.226 tors. eta vs tors. theta energy: -0.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -26.018065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.018065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.018065 (E_RNA) where: Base-Base interactions energy: -7.511 where: short stacking energy: -7.511 Base-Backbone interact. energy: -0.000 local terms energy: -18.506687 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.153 flat angles P-C4'-P energy: -1.805 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: 5, replica: 9 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -23.978754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.978754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.978754 (E_RNA) where: Base-Base interactions energy: -7.848 where: short stacking energy: -7.848 Base-Backbone interact. energy: -0.032 local terms energy: -16.098837 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.050 flat angles P-C4'-P energy: -2.229 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: 6, replica: 10 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -26.701506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.701506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.701506 (E_RNA) where: Base-Base interactions energy: -7.876 where: short stacking energy: -7.876 Base-Backbone interact. energy: -0.001 local terms energy: -18.824663 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.608 flat angles P-C4'-P energy: -1.670 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: 7, replica: 4 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -21.337400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.337400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.337400 (E_RNA) where: Base-Base interactions energy: -4.572 where: short stacking energy: -4.572 Base-Backbone interact. energy: -0.010 local terms energy: -16.754854 where: bonds (distance) C4'-P energy: -3.384 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.839 flat angles P-C4'-P energy: -1.226 tors. eta vs tors. theta energy: -2.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -24.397600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.397600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.397600 (E_RNA) where: Base-Base interactions energy: -7.627 where: short stacking energy: -7.627 Base-Backbone interact. energy: -0.000 local terms energy: -16.769790 where: bonds (distance) C4'-P energy: -2.820 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.254 flat angles P-C4'-P energy: -2.840 tors. eta vs tors. theta energy: -1.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -23.133192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.133192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.133192 (E_RNA) where: Base-Base interactions energy: -9.144 where: short stacking energy: -8.601 Base-Backbone interact. energy: -0.003 local terms energy: -13.986474 where: bonds (distance) C4'-P energy: -3.185 bonds (distance) P-C4' energy: -3.578 flat angles C4'-P-C4' energy: -3.817 flat angles P-C4'-P energy: -3.655 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: 2 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -21.942203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.942203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.942203 (E_RNA) where: Base-Base interactions energy: -4.120 where: short stacking energy: -4.120 Base-Backbone interact. energy: -0.000 local terms energy: -17.822635 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.864 flat angles P-C4'-P energy: -2.787 tors. eta vs tors. theta energy: -2.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -28.805593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.805593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.805593 (E_RNA) where: Base-Base interactions energy: -10.219 where: short stacking energy: -10.219 Base-Backbone interact. energy: -0.000 local terms energy: -18.586324 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -3.978 flat angles P-C4'-P energy: -2.645 tors. eta vs tors. theta energy: -3.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 426 Temperature: 0.950000 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: -11.210 where: short stacking energy: -11.210 Base-Backbone interact. energy: -0.000 local terms energy: -17.506881 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -2.676 flat angles P-C4'-P energy: -3.880 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: 3, replica: 7 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -28.201285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.201285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.201285 (E_RNA) where: Base-Base interactions energy: -10.306 where: short stacking energy: -10.306 Base-Backbone interact. energy: -0.000 local terms energy: -17.895214 where: bonds (distance) C4'-P energy: -3.450 bonds (distance) P-C4' energy: -4.180 flat angles C4'-P-C4' energy: -3.953 flat angles P-C4'-P energy: -3.398 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: 4, replica: 6 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -29.112606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.112606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.112606 (E_RNA) where: Base-Base interactions energy: -10.399 where: short stacking energy: -10.399 Base-Backbone interact. energy: -0.000 local terms energy: -18.713427 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.575 flat angles C4'-P-C4' energy: -4.083 flat angles P-C4'-P energy: -2.591 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: 5, replica: 10 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -23.375867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.375867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.375867 (E_RNA) where: Base-Base interactions energy: -7.820 where: short stacking energy: -7.820 Base-Backbone interact. energy: -0.002 local terms energy: -15.553835 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -2.383 flat angles C4'-P-C4' energy: -2.939 flat angles P-C4'-P energy: -3.397 tors. eta vs tors. theta energy: -3.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -26.558965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.558965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.558965 (E_RNA) where: Base-Base interactions energy: -10.283 where: short stacking energy: -10.283 Base-Backbone interact. energy: -0.002 local terms energy: -16.273305 where: bonds (distance) C4'-P energy: -3.823 bonds (distance) P-C4' energy: -3.103 flat angles C4'-P-C4' energy: -3.870 flat angles P-C4'-P energy: -3.721 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: 7, replica: 3 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -23.039804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.039804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.039804 (E_RNA) where: Base-Base interactions energy: -6.289 where: short stacking energy: -6.289 Base-Backbone interact. energy: -0.091 local terms energy: -16.660165 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.246 flat angles P-C4'-P energy: -2.400 tors. eta vs tors. theta energy: -0.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -29.171299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.171299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.171299 (E_RNA) where: Base-Base interactions energy: -11.102 where: short stacking energy: -11.102 Base-Backbone interact. energy: -0.001 local terms energy: -18.068702 where: bonds (distance) C4'-P energy: -4.233 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -4.350 flat angles P-C4'-P energy: -1.845 tors. eta vs tors. theta energy: -2.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -24.855743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.855743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.855743 (E_RNA) where: Base-Base interactions energy: -6.768 where: short stacking energy: -6.768 Base-Backbone interact. energy: -0.001 local terms energy: -18.086222 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.419 flat angles P-C4'-P energy: -1.854 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: 10, replica: 8 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -22.265105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.265105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.265105 (E_RNA) where: Base-Base interactions energy: -8.149 where: short stacking energy: -8.149 Base-Backbone interact. energy: -0.000 local terms energy: -14.115764 where: bonds (distance) C4'-P energy: -3.061 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.346 flat angles P-C4'-P energy: -2.964 tors. eta vs tors. theta energy: 0.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -25.352081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.352081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.352081 (E_RNA) where: Base-Base interactions energy: -8.456 where: short stacking energy: -8.456 Base-Backbone interact. energy: -0.002 local terms energy: -16.894006 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.404 flat angles P-C4'-P energy: -3.150 tors. eta vs tors. theta energy: -0.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -26.144452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.144452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.144452 (E_RNA) where: Base-Base interactions energy: -6.835 where: short stacking energy: -6.835 Base-Backbone interact. energy: -0.002 local terms energy: -19.307643 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.080 flat angles P-C4'-P energy: -3.237 tors. eta vs tors. theta energy: -2.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -25.692663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.692663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.692663 (E_RNA) where: Base-Base interactions energy: -7.490 where: short stacking energy: -7.490 Base-Backbone interact. energy: -0.003 local terms energy: -18.198820 where: bonds (distance) C4'-P energy: -3.889 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.043 flat angles P-C4'-P energy: -4.017 tors. eta vs tors. theta energy: -1.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -26.925037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.925037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.925037 (E_RNA) where: Base-Base interactions energy: -8.628 where: short stacking energy: -8.628 Base-Backbone interact. energy: -0.029 local terms energy: -18.268494 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -2.663 flat angles P-C4'-P energy: -3.184 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: 5, replica: 6 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -25.725641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.725641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.725641 (E_RNA) where: Base-Base interactions energy: -6.857 where: short stacking energy: -6.857 Base-Backbone interact. energy: -0.002 local terms energy: -18.866148 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.796 flat angles P-C4'-P energy: -2.986 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: 3 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -23.235884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.235884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.235884 (E_RNA) where: Base-Base interactions energy: -7.801 where: short stacking energy: -7.801 Base-Backbone interact. energy: -0.000 local terms energy: -15.435268 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -4.095 flat angles P-C4'-P energy: -1.196 tors. eta vs tors. theta energy: -2.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -23.449373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.449373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.449373 (E_RNA) where: Base-Base interactions energy: -6.311 where: short stacking energy: -6.311 Base-Backbone interact. energy: -0.253 local terms energy: -16.885152 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.829 flat angles P-C4'-P energy: -1.939 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: 8, replica: 4 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -20.601054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.601054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.601054 (E_RNA) where: Base-Base interactions energy: -7.917 where: short stacking energy: -7.917 Base-Backbone interact. energy: -0.000 local terms energy: -12.683880 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -3.532 flat angles C4'-P-C4' energy: -2.917 flat angles P-C4'-P energy: -0.965 tors. eta vs tors. theta energy: -1.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -21.746600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.746600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.746600 (E_RNA) where: Base-Base interactions energy: -6.084 where: short stacking energy: -6.084 Base-Backbone interact. energy: -0.101 local terms energy: -15.562289 where: bonds (distance) C4'-P energy: -2.788 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -2.703 flat angles P-C4'-P energy: -1.828 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: 10, replica: 8 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -19.797098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.797098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.797098 (E_RNA) where: Base-Base interactions energy: -4.395 where: short stacking energy: -4.395 Base-Backbone interact. energy: -0.000 local terms energy: -15.401977 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.555 flat angles P-C4'-P energy: -1.077 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: 1 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -33.453863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.453863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.453863 (E_RNA) where: Base-Base interactions energy: -11.478 where: short stacking energy: -11.478 Base-Backbone interact. energy: -0.000 local terms energy: -21.975730 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -4.750 flat angles P-C4'-P energy: -2.331 tors. eta vs tors. theta energy: -5.131 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: 7 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -23.038826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.038826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.038826 (E_RNA) where: Base-Base interactions energy: -6.603 where: short stacking energy: -6.603 Base-Backbone interact. energy: -0.000 local terms energy: -16.435676 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -2.444 flat angles P-C4'-P energy: -2.952 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: 3, replica: 10 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -25.787390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.787390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.787390 (E_RNA) where: Base-Base interactions energy: -10.436 where: short stacking energy: -10.436 Base-Backbone interact. energy: -0.000 local terms energy: -15.350955 where: bonds (distance) C4'-P energy: -2.510 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -3.371 flat angles P-C4'-P energy: -1.439 tors. eta vs tors. theta energy: -3.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -25.036309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.036309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.036309 (E_RNA) where: Base-Base interactions energy: -8.476 where: short stacking energy: -8.476 Base-Backbone interact. energy: -0.013 local terms energy: -16.546779 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -1.719 flat angles C4'-P-C4' energy: -4.717 flat angles P-C4'-P energy: -3.191 tors. eta vs tors. theta energy: -2.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -22.611452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.611452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.611452 (E_RNA) where: Base-Base interactions energy: -7.473 where: short stacking energy: -7.473 Base-Backbone interact. energy: -0.091 local terms energy: -15.047677 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -2.473 flat angles P-C4'-P energy: -3.359 tors. eta vs tors. theta energy: -0.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -25.068009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.068009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.068009 (E_RNA) where: Base-Base interactions energy: -7.471 where: short stacking energy: -7.471 Base-Backbone interact. energy: -0.022 local terms energy: -17.575145 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.448 flat angles P-C4'-P energy: -2.873 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: 7, replica: 4 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -22.729107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.729107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.729107 (E_RNA) where: Base-Base interactions energy: -7.833 where: short stacking energy: -7.833 Base-Backbone interact. energy: -0.100 local terms energy: -14.796126 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -3.557 flat angles C4'-P-C4' energy: -2.426 flat angles P-C4'-P energy: -2.850 tors. eta vs tors. theta energy: -1.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -21.731006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.731006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.731006 (E_RNA) where: Base-Base interactions energy: -7.467 where: short stacking energy: -7.467 Base-Backbone interact. energy: -0.000 local terms energy: -14.263971 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -2.842 flat angles C4'-P-C4' energy: -4.241 flat angles P-C4'-P energy: -2.456 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: 9, replica: 8 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -22.614669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.614669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.614669 (E_RNA) where: Base-Base interactions energy: -7.481 where: short stacking energy: -7.481 Base-Backbone interact. energy: -0.000 local terms energy: -15.133205 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -4.569 flat angles C4'-P-C4' energy: -3.212 flat angles P-C4'-P energy: -2.706 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: 10, replica: 2 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -20.654673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.654673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.654673 (E_RNA) where: Base-Base interactions energy: -5.749 where: short stacking energy: -5.749 Base-Backbone interact. energy: -0.002 local terms energy: -14.904036 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.044 flat angles C4'-P-C4' energy: -3.308 flat angles P-C4'-P energy: -1.800 tors. eta vs tors. theta energy: -1.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -27.622362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.622362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.622362 (E_RNA) where: Base-Base interactions energy: -8.570 where: short stacking energy: -8.570 Base-Backbone interact. energy: -0.000 local terms energy: -19.052460 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.206 flat angles P-C4'-P energy: -2.824 tors. eta vs tors. theta energy: -2.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -30.483421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.483421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.483421 (E_RNA) where: Base-Base interactions energy: -10.750 where: short stacking energy: -10.750 Base-Backbone interact. energy: -0.000 local terms energy: -19.733599 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.060 flat angles C4'-P-C4' energy: -4.030 flat angles P-C4'-P energy: -3.086 tors. eta vs tors. theta energy: -4.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -29.201482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.201482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.201482 (E_RNA) where: Base-Base interactions energy: -11.286 where: short stacking energy: -11.286 Base-Backbone interact. energy: -0.000 local terms energy: -17.914975 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.447 flat angles P-C4'-P energy: -1.558 tors. eta vs tors. theta energy: -2.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -22.725025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.725025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.725025 (E_RNA) where: Base-Base interactions energy: -7.858 where: short stacking energy: -7.858 Base-Backbone interact. energy: -0.000 local terms energy: -14.866214 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -3.299 flat angles C4'-P-C4' energy: -2.831 flat angles P-C4'-P energy: -2.676 tors. eta vs tors. theta energy: -2.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -22.357332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.357332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.357332 (E_RNA) where: Base-Base interactions energy: -7.648 where: short stacking energy: -7.648 Base-Backbone interact. energy: -0.022 local terms energy: -14.686719 where: bonds (distance) C4'-P energy: -3.281 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.705 flat angles P-C4'-P energy: -3.137 tors. eta vs tors. theta energy: -0.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -26.335622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.335622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.335622 (E_RNA) where: Base-Base interactions energy: -8.350 where: short stacking energy: -8.350 Base-Backbone interact. energy: -0.000 local terms energy: -17.985798 where: bonds (distance) C4'-P energy: -1.580 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.426 flat angles P-C4'-P energy: -3.258 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: 7, replica: 6 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -23.002705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.002705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.002705 (E_RNA) where: Base-Base interactions energy: -3.521 where: short stacking energy: -3.521 Base-Backbone interact. energy: -0.001 local terms energy: -19.481430 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.621 flat angles P-C4'-P energy: -3.644 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: 8 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -26.408513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.408513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.408513 (E_RNA) where: Base-Base interactions energy: -10.281 where: short stacking energy: -10.281 Base-Backbone interact. energy: -0.000 local terms energy: -16.127746 where: bonds (distance) C4'-P energy: -1.173 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.570 flat angles P-C4'-P energy: -2.660 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: 9, replica: 9 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -19.214147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.214147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.214147 (E_RNA) where: Base-Base interactions energy: -4.353 where: short stacking energy: -4.353 Base-Backbone interact. energy: -0.000 local terms energy: -14.861258 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.894 flat angles P-C4'-P energy: -1.620 tors. eta vs tors. theta energy: -0.120 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: 2 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -21.207979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.207979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.207979 (E_RNA) where: Base-Base interactions energy: -3.946 where: short stacking energy: -3.946 Base-Backbone interact. energy: -0.837 local terms energy: -16.424820 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.068 flat angles P-C4'-P energy: -2.327 tors. eta vs tors. theta energy: -0.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -26.767074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.767074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.767074 (E_RNA) where: Base-Base interactions energy: -8.365 where: short stacking energy: -8.365 Base-Backbone interact. energy: -0.079 local terms energy: -18.323412 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -3.615 flat angles P-C4'-P energy: -3.405 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: 2, replica: 1 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -26.302244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.302244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.302244 (E_RNA) where: Base-Base interactions energy: -8.749 where: short stacking energy: -8.749 Base-Backbone interact. energy: -0.002 local terms energy: -17.551449 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.008 flat angles P-C4'-P energy: -2.994 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: 3, replica: 3 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -29.307788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.307788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.307788 (E_RNA) where: Base-Base interactions energy: -10.338 where: short stacking energy: -10.338 Base-Backbone interact. energy: -0.000 local terms energy: -18.969884 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -4.187 flat angles P-C4'-P energy: -3.074 tors. eta vs tors. theta energy: -3.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -26.830266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.830266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.830266 (E_RNA) where: Base-Base interactions energy: -9.323 where: short stacking energy: -9.323 Base-Backbone interact. energy: -0.000 local terms energy: -17.507644 where: bonds (distance) C4'-P energy: -4.233 bonds (distance) P-C4' energy: -3.544 flat angles C4'-P-C4' energy: -4.220 flat angles P-C4'-P energy: -2.608 tors. eta vs tors. theta energy: -2.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -25.971338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.971338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.971338 (E_RNA) where: Base-Base interactions energy: -6.984 where: short stacking energy: -6.984 Base-Backbone interact. energy: -0.000 local terms energy: -18.987325 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -4.580 flat angles P-C4'-P energy: -3.204 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: 6, replica: 5 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -22.172948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.172948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.172948 (E_RNA) where: Base-Base interactions energy: -4.336 where: short stacking energy: -4.336 Base-Backbone interact. energy: -0.001 local terms energy: -17.836393 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.257 flat angles P-C4'-P energy: -3.950 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: 430 Temperature: 1.200000 Total energy: -23.095781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.095781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.095781 (E_RNA) where: Base-Base interactions energy: -8.386 where: short stacking energy: -8.386 Base-Backbone interact. energy: -0.059 local terms energy: -14.651063 where: bonds (distance) C4'-P energy: -2.271 bonds (distance) P-C4' energy: -3.815 flat angles C4'-P-C4' energy: -4.394 flat angles P-C4'-P energy: -1.893 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: 8, replica: 6 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -22.030670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.030670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.030670 (E_RNA) where: Base-Base interactions energy: -9.320 where: short stacking energy: -9.320 Base-Backbone interact. energy: -0.000 local terms energy: -12.710701 where: bonds (distance) C4'-P energy: -3.397 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -0.823 flat angles P-C4'-P energy: -0.838 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: 2 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -25.832709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.832709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.832709 (E_RNA) where: Base-Base interactions energy: -8.099 where: short stacking energy: -8.099 Base-Backbone interact. energy: -0.000 local terms energy: -17.733814 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -3.830 flat angles P-C4'-P energy: -2.667 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: 10, replica: 9 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -21.122753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.122753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.122753 (E_RNA) where: Base-Base interactions energy: -4.680 where: short stacking energy: -4.680 Base-Backbone interact. energy: -0.000 local terms energy: -16.442897 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -3.811 flat angles C4'-P-C4' energy: -3.481 flat angles P-C4'-P energy: -2.155 tors. eta vs tors. theta energy: -2.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -25.554123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.554123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.554123 (E_RNA) where: Base-Base interactions energy: -10.662 where: short stacking energy: -10.662 Base-Backbone interact. energy: -0.089 local terms energy: -14.802882 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -4.044 flat angles C4'-P-C4' energy: -3.017 flat angles P-C4'-P energy: -1.655 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: 2, replica: 3 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -26.882442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.882442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.882442 (E_RNA) where: Base-Base interactions energy: -11.233 where: short stacking energy: -11.233 Base-Backbone interact. energy: -0.004 local terms energy: -15.645204 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.152 flat angles C4'-P-C4' energy: -2.267 flat angles P-C4'-P energy: -3.397 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: 3, replica: 1 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -27.881588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.881588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.881588 (E_RNA) where: Base-Base interactions energy: -7.595 where: short stacking energy: -7.595 Base-Backbone interact. energy: -0.000 local terms energy: -20.286353 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.890 flat angles P-C4'-P energy: -2.852 tors. eta vs tors. theta energy: -4.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -24.334906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.334906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.334906 (E_RNA) where: Base-Base interactions energy: -5.650 where: short stacking energy: -5.650 Base-Backbone interact. energy: -0.000 local terms energy: -18.684848 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -3.781 flat angles C4'-P-C4' energy: -4.206 flat angles P-C4'-P energy: -3.426 tors. eta vs tors. theta energy: -3.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -25.068517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.068517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.068517 (E_RNA) where: Base-Base interactions energy: -7.712 where: short stacking energy: -7.712 Base-Backbone interact. energy: -0.001 local terms energy: -17.355911 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.569 flat angles C4'-P-C4' energy: -3.458 flat angles P-C4'-P energy: -2.197 tors. eta vs tors. theta energy: -3.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -29.646122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.646122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.646122 (E_RNA) where: Base-Base interactions energy: -11.861 where: short stacking energy: -11.861 Base-Backbone interact. energy: -0.000 local terms energy: -17.784874 where: bonds (distance) C4'-P energy: -2.366 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.090 flat angles P-C4'-P energy: -3.189 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: 7, replica: 5 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -23.988334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.988334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.988334 (E_RNA) where: Base-Base interactions energy: -7.248 where: short stacking energy: -7.248 Base-Backbone interact. energy: -0.000 local terms energy: -16.740618 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -2.972 flat angles P-C4'-P energy: -3.538 tors. eta vs tors. theta energy: -0.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -21.923235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.923235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.923235 (E_RNA) where: Base-Base interactions energy: -4.417 where: short stacking energy: -4.417 Base-Backbone interact. energy: -0.000 local terms energy: -17.505790 where: bonds (distance) C4'-P energy: -3.425 bonds (distance) P-C4' energy: -4.579 flat angles C4'-P-C4' energy: -4.207 flat angles P-C4'-P energy: -3.092 tors. eta vs tors. theta energy: -2.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -19.819248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.819248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.819248 (E_RNA) where: Base-Base interactions energy: -3.485 where: short stacking energy: -3.485 Base-Backbone interact. energy: -0.000 local terms energy: -16.334160 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -4.438 flat angles P-C4'-P energy: -2.032 tors. eta vs tors. theta energy: -0.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -21.921548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.921548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.921548 (E_RNA) where: Base-Base interactions energy: -8.304 where: short stacking energy: -8.304 Base-Backbone interact. energy: -0.000 local terms energy: -13.617880 where: bonds (distance) C4'-P energy: -3.161 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -3.077 flat angles P-C4'-P energy: -2.012 tors. eta vs tors. theta energy: -0.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -29.760552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.760552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.760552 (E_RNA) where: Base-Base interactions energy: -10.257 where: short stacking energy: -10.257 Base-Backbone interact. energy: -0.000 local terms energy: -19.503071 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.839 flat angles C4'-P-C4' energy: -4.663 flat angles P-C4'-P energy: -2.335 tors. eta vs tors. theta energy: -3.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -28.509506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.509506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.509506 (E_RNA) where: Base-Base interactions energy: -10.370 where: short stacking energy: -10.370 Base-Backbone interact. energy: -0.000 local terms energy: -18.139637 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.825 flat angles P-C4'-P energy: -3.178 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: 3, replica: 7 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -29.001633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.001633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.001633 (E_RNA) where: Base-Base interactions energy: -10.297 where: short stacking energy: -10.297 Base-Backbone interact. energy: -0.002 local terms energy: -18.703286 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -4.134 flat angles P-C4'-P energy: -2.803 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: 4, replica: 1 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -23.950965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.950965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.950965 (E_RNA) where: Base-Base interactions energy: -6.719 where: short stacking energy: -6.719 Base-Backbone interact. energy: -0.000 local terms energy: -17.231258 where: bonds (distance) C4'-P energy: -3.708 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.885 flat angles P-C4'-P energy: -2.375 tors. eta vs tors. theta energy: -2.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -22.884674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.884674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.884674 (E_RNA) where: Base-Base interactions energy: -6.708 where: short stacking energy: -6.708 Base-Backbone interact. energy: -0.002 local terms energy: -16.174595 where: bonds (distance) C4'-P energy: -2.307 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.218 flat angles P-C4'-P energy: -2.262 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: 4 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -26.996595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.996595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.996595 (E_RNA) where: Base-Base interactions energy: -8.338 where: short stacking energy: -8.338 Base-Backbone interact. energy: -0.000 local terms energy: -18.658824 where: bonds (distance) C4'-P energy: -3.070 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -4.786 flat angles P-C4'-P energy: -3.498 tors. eta vs tors. theta energy: -3.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -22.516424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.516424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.516424 (E_RNA) where: Base-Base interactions energy: -7.071 where: short stacking energy: -7.071 Base-Backbone interact. energy: -0.001 local terms energy: -15.443872 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -2.977 flat angles P-C4'-P energy: -1.887 tors. eta vs tors. theta energy: -0.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -23.445445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.445445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.445445 (E_RNA) where: Base-Base interactions energy: -7.003 where: short stacking energy: -7.003 Base-Backbone interact. energy: -0.013 local terms energy: -16.429444 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.051 flat angles C4'-P-C4' energy: -4.173 flat angles P-C4'-P energy: -3.489 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: 9, replica: 6 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -20.040820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.040820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.040820 (E_RNA) where: Base-Base interactions energy: -7.843 where: short stacking energy: -7.843 Base-Backbone interact. energy: -0.066 local terms energy: -12.132576 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: 0.536 flat angles P-C4'-P energy: -3.121 tors. eta vs tors. theta energy: -0.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -22.039520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.039520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.039520 (E_RNA) where: Base-Base interactions energy: -7.180 where: short stacking energy: -7.180 Base-Backbone interact. energy: -0.000 local terms energy: -14.859655 where: bonds (distance) C4'-P energy: -1.882 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -2.813 flat angles P-C4'-P energy: -3.957 tors. eta vs tors. theta energy: -0.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -29.504505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.504505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.504505 (E_RNA) where: Base-Base interactions energy: -8.590 where: short stacking energy: -8.590 Base-Backbone interact. energy: -0.000 local terms energy: -20.914032 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.199 flat angles P-C4'-P energy: -3.484 tors. eta vs tors. theta energy: -4.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -29.292079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.292079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.292079 (E_RNA) where: Base-Base interactions energy: -10.707 where: short stacking energy: -10.707 Base-Backbone interact. energy: 0.116 local terms energy: -18.701432 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.176 flat angles P-C4'-P energy: -2.616 tors. eta vs tors. theta energy: -2.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -26.970165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.970165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.970165 (E_RNA) where: Base-Base interactions energy: -7.056 where: short stacking energy: -7.056 Base-Backbone interact. energy: -0.000 local terms energy: -19.914263 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.344 flat angles P-C4'-P energy: -2.974 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: 8 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -27.239068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.239068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.239068 (E_RNA) where: Base-Base interactions energy: -10.196 where: short stacking energy: -10.553 Base-Backbone interact. energy: -1.649 local terms energy: -15.393907 where: bonds (distance) C4'-P energy: -1.223 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -2.916 flat angles P-C4'-P energy: -3.039 tors. eta vs tors. theta energy: -3.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -23.814500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.814500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.814500 (E_RNA) where: Base-Base interactions energy: -8.285 where: short stacking energy: -8.285 Base-Backbone interact. energy: -0.000 local terms energy: -15.529174 where: bonds (distance) C4'-P energy: -2.962 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -1.765 flat angles P-C4'-P energy: -2.355 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: 6, replica: 2 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -24.330636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.330636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.330636 (E_RNA) where: Base-Base interactions energy: -7.444 where: short stacking energy: -7.444 Base-Backbone interact. energy: -0.000 local terms energy: -16.887037 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.006 flat angles P-C4'-P energy: -3.393 tors. eta vs tors. theta energy: -0.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -22.171161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.171161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.171161 (E_RNA) where: Base-Base interactions energy: -4.247 where: short stacking energy: -4.247 Base-Backbone interact. energy: -0.000 local terms energy: -17.924530 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -3.944 flat angles C4'-P-C4' energy: -4.394 flat angles P-C4'-P energy: -3.325 tors. eta vs tors. theta energy: -2.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -26.734970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.734970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.734970 (E_RNA) where: Base-Base interactions energy: -8.807 where: short stacking energy: -8.807 Base-Backbone interact. energy: -0.015 local terms energy: -17.913729 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.829 flat angles P-C4'-P energy: -2.017 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: 5 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -23.705555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.705555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.705555 (E_RNA) where: Base-Base interactions energy: -6.249 where: short stacking energy: -6.249 Base-Backbone interact. energy: -0.001 local terms energy: -17.455520 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -4.395 flat angles C4'-P-C4' energy: -4.335 flat angles P-C4'-P energy: -3.355 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: 9 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -22.854670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.854670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.854670 (E_RNA) where: Base-Base interactions energy: -6.642 where: short stacking energy: -6.642 Base-Backbone interact. energy: -0.002 local terms energy: -16.210524 where: bonds (distance) C4'-P energy: -4.233 bonds (distance) P-C4' energy: -4.572 flat angles C4'-P-C4' energy: -4.191 flat angles P-C4'-P energy: -1.848 tors. eta vs tors. theta energy: -1.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -25.307840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.307840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.307840 (E_RNA) where: Base-Base interactions energy: -5.753 where: short stacking energy: -5.753 Base-Backbone interact. energy: -0.000 local terms energy: -19.555039 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.525 flat angles P-C4'-P energy: -3.759 tors. eta vs tors. theta energy: -2.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -24.189309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.189309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.189309 (E_RNA) where: Base-Base interactions energy: -7.196 where: short stacking energy: -7.196 Base-Backbone interact. energy: -0.000 local terms energy: -16.993286 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.482 flat angles P-C4'-P energy: -2.822 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: 8 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -24.289652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.289652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.289652 (E_RNA) where: Base-Base interactions energy: -6.796 where: short stacking energy: -6.796 Base-Backbone interact. energy: -0.065 local terms energy: -17.428017 where: bonds (distance) C4'-P energy: -3.185 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.554 flat angles P-C4'-P energy: -3.903 tors. eta vs tors. theta energy: -0.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -26.642223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.642223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.642223 (E_RNA) where: Base-Base interactions energy: -10.431 where: short stacking energy: -10.431 Base-Backbone interact. energy: -0.000 local terms energy: -16.211462 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.443 flat angles P-C4'-P energy: -2.224 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: 434 Temperature: 1.100000 Total energy: -22.456545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.456545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.456545 (E_RNA) where: Base-Base interactions energy: -7.439 where: short stacking energy: -7.439 Base-Backbone interact. energy: -0.000 local terms energy: -15.017931 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -3.811 flat angles C4'-P-C4' energy: -3.748 flat angles P-C4'-P energy: -2.972 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: 6, replica: 2 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -23.047822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.047822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.047822 (E_RNA) where: Base-Base interactions energy: -6.911 where: short stacking energy: -6.911 Base-Backbone interact. energy: -0.016 local terms energy: -16.120579 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.383 flat angles P-C4'-P energy: -2.320 tors. eta vs tors. theta energy: 0.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -19.927252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.927252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.927252 (E_RNA) where: Base-Base interactions energy: -7.124 where: short stacking energy: -7.124 Base-Backbone interact. energy: -0.032 local terms energy: -12.770893 where: bonds (distance) C4'-P energy: -3.479 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.443 flat angles P-C4'-P energy: -1.789 tors. eta vs tors. theta energy: 0.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -19.922221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.922221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.922221 (E_RNA) where: Base-Base interactions energy: -6.764 where: short stacking energy: -6.994 Base-Backbone interact. energy: -0.009 local terms energy: -13.148970 where: bonds (distance) C4'-P energy: -2.689 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.241 flat angles P-C4'-P energy: -0.833 tors. eta vs tors. theta energy: -0.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -23.046194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.046194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.046194 (E_RNA) where: Base-Base interactions energy: -5.446 where: short stacking energy: -5.446 Base-Backbone interact. energy: -0.098 local terms energy: -17.502293 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -3.748 flat angles C4'-P-C4' energy: -3.979 flat angles P-C4'-P energy: -3.950 tors. eta vs tors. theta energy: -1.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -20.449553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.449553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.449553 (E_RNA) where: Base-Base interactions energy: -6.323 where: short stacking energy: -6.323 Base-Backbone interact. energy: -0.000 local terms energy: -14.126648 where: bonds (distance) C4'-P energy: -3.309 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -2.101 flat angles P-C4'-P energy: -1.227 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: 1, replica: 7 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -27.285389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.285389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.285389 (E_RNA) where: Base-Base interactions energy: -6.984 where: short stacking energy: -6.984 Base-Backbone interact. energy: -0.000 local terms energy: -20.301469 where: bonds (distance) C4'-P energy: -4.311 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.016 flat angles P-C4'-P energy: -3.403 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: 8 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -32.551055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.551055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.551055 (E_RNA) where: Base-Base interactions energy: -11.800 where: short stacking energy: -11.800 Base-Backbone interact. energy: -0.000 local terms energy: -20.751121 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.472 flat angles P-C4'-P energy: -2.805 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: 3, replica: 3 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -26.874268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.874268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.874268 (E_RNA) where: Base-Base interactions energy: -8.214 where: short stacking energy: -8.214 Base-Backbone interact. energy: -0.000 local terms energy: -18.660161 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.966 flat angles C4'-P-C4' energy: -3.887 flat angles P-C4'-P energy: -2.638 tors. eta vs tors. theta energy: -3.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -24.601575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.601575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.601575 (E_RNA) where: Base-Base interactions energy: -10.606 where: short stacking energy: -10.606 Base-Backbone interact. energy: -0.000 local terms energy: -13.995698 where: bonds (distance) C4'-P energy: -1.045 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -4.555 flat angles P-C4'-P energy: -1.807 tors. eta vs tors. theta energy: -1.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -25.842963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.842963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.842963 (E_RNA) where: Base-Base interactions energy: -6.716 where: short stacking energy: -6.716 Base-Backbone interact. energy: -0.000 local terms energy: -19.127197 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.471 flat angles P-C4'-P energy: -3.539 tors. eta vs tors. theta energy: -1.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -24.337681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.337681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.337681 (E_RNA) where: Base-Base interactions energy: -8.088 where: short stacking energy: -8.088 Base-Backbone interact. energy: -0.003 local terms energy: -16.246847 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -2.742 flat angles P-C4'-P energy: -3.439 tors. eta vs tors. theta energy: -0.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -25.115554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.115554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.115554 (E_RNA) where: Base-Base interactions energy: -6.486 where: short stacking energy: -6.486 Base-Backbone interact. energy: -0.000 local terms energy: -18.629847 where: bonds (distance) C4'-P energy: -3.053 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.953 flat angles P-C4'-P energy: -2.243 tors. eta vs tors. theta energy: -4.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -21.941499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.941499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.941499 (E_RNA) where: Base-Base interactions energy: -6.857 where: short stacking energy: -6.857 Base-Backbone interact. energy: -0.079 local terms energy: -15.004877 where: bonds (distance) C4'-P energy: -3.194 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.186 flat angles P-C4'-P energy: -3.152 tors. eta vs tors. theta energy: 0.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -21.934820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.934820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.934820 (E_RNA) where: Base-Base interactions energy: -7.242 where: short stacking energy: -7.242 Base-Backbone interact. energy: -0.035 local terms energy: -14.657467 where: bonds (distance) C4'-P energy: -0.681 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.060 flat angles P-C4'-P energy: -3.133 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: 10, replica: 5 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -20.346223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.346223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.346223 (E_RNA) where: Base-Base interactions energy: -1.727 where: short stacking energy: -2.639 Base-Backbone interact. energy: -0.000 local terms energy: -18.619524 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.256 flat angles P-C4'-P energy: -4.098 tors. eta vs tors. theta energy: -1.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -26.208156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.208156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.208156 (E_RNA) where: Base-Base interactions energy: -7.321 where: short stacking energy: -7.321 Base-Backbone interact. energy: -0.000 local terms energy: -18.887157 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.688 flat angles P-C4'-P energy: -3.555 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: 2, replica: 7 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -23.615984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.615984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.615984 (E_RNA) where: Base-Base interactions energy: -7.402 where: short stacking energy: -7.402 Base-Backbone interact. energy: -0.011 local terms energy: -16.202493 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.839 flat angles C4'-P-C4' energy: -4.681 flat angles P-C4'-P energy: -2.209 tors. eta vs tors. theta energy: -0.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -29.764902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.764902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.764902 (E_RNA) where: Base-Base interactions energy: -10.450 where: short stacking energy: -10.450 Base-Backbone interact. energy: -0.000 local terms energy: -19.314968 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.310 flat angles P-C4'-P energy: -3.453 tors. eta vs tors. theta energy: -3.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -25.497153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.497153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.497153 (E_RNA) where: Base-Base interactions energy: -7.421 where: short stacking energy: -7.421 Base-Backbone interact. energy: -0.000 local terms energy: -18.076226 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -4.023 flat angles P-C4'-P energy: -3.374 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: 2 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -24.202177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.202177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.202177 (E_RNA) where: Base-Base interactions energy: -7.373 where: short stacking energy: -7.373 Base-Backbone interact. energy: -0.084 local terms energy: -16.745556 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.131 flat angles P-C4'-P energy: -3.349 tors. eta vs tors. theta energy: -0.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -24.699944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.699944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.699944 (E_RNA) where: Base-Base interactions energy: -6.547 where: short stacking energy: -6.547 Base-Backbone interact. energy: -0.001 local terms energy: -18.151867 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -3.748 flat angles C4'-P-C4' energy: -4.435 flat angles P-C4'-P energy: -2.464 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: 9 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -20.978228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.978228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.978228 (E_RNA) where: Base-Base interactions energy: -7.736 where: short stacking energy: -7.736 Base-Backbone interact. energy: -0.422 local terms energy: -12.819353 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -2.416 flat angles C4'-P-C4' energy: -2.852 flat angles P-C4'-P energy: -2.036 tors. eta vs tors. theta energy: -1.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -25.079466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.079466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.079466 (E_RNA) where: Base-Base interactions energy: -6.992 where: short stacking energy: -7.290 Base-Backbone interact. energy: -0.000 local terms energy: -18.087912 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.714 flat angles P-C4'-P energy: -2.812 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: 9, replica: 5 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -20.239208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.239208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.239208 (E_RNA) where: Base-Base interactions energy: -7.102 where: short stacking energy: -7.102 Base-Backbone interact. energy: -0.004 local terms energy: -13.133182 where: bonds (distance) C4'-P energy: -3.682 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -2.559 flat angles P-C4'-P energy: -2.683 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: 10, replica: 4 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -18.437234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.437234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.437234 (E_RNA) where: Base-Base interactions energy: -1.641 where: short stacking energy: -1.641 Base-Backbone interact. energy: -0.000 local terms energy: -16.796237 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -4.564 flat angles P-C4'-P energy: -3.249 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: 8 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -29.609735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.609735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.609735 (E_RNA) where: Base-Base interactions energy: -11.018 where: short stacking energy: -11.018 Base-Backbone interact. energy: -0.000 local terms energy: -18.591756 where: bonds (distance) C4'-P energy: -2.109 bonds (distance) P-C4' energy: -4.839 flat angles C4'-P-C4' energy: -3.942 flat angles P-C4'-P energy: -3.503 tors. eta vs tors. theta energy: -4.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -22.781250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.781250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.781250 (E_RNA) where: Base-Base interactions energy: -4.230 where: short stacking energy: -4.230 Base-Backbone interact. energy: -0.077 local terms energy: -18.474153 where: bonds (distance) C4'-P energy: -3.268 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -3.677 flat angles P-C4'-P energy: -3.428 tors. eta vs tors. theta energy: -2.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -26.195213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.195213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.195213 (E_RNA) where: Base-Base interactions energy: -6.941 where: short stacking energy: -6.941 Base-Backbone interact. energy: -0.000 local terms energy: -19.254097 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.392 flat angles P-C4'-P energy: -1.717 tors. eta vs tors. theta energy: -5.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -22.904645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.904645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.904645 (E_RNA) where: Base-Base interactions energy: -5.508 where: short stacking energy: -5.508 Base-Backbone interact. energy: -0.099 local terms energy: -17.297336 where: bonds (distance) C4'-P energy: -3.272 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.820 flat angles P-C4'-P energy: -3.008 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: 5, replica: 2 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -23.717207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.717207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.717207 (E_RNA) where: Base-Base interactions energy: -7.982 where: short stacking energy: -7.982 Base-Backbone interact. energy: -0.000 local terms energy: -15.735022 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -4.579 flat angles C4'-P-C4' energy: -3.641 flat angles P-C4'-P energy: -0.473 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: 6, replica: 9 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -21.257951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.257951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.257951 (E_RNA) where: Base-Base interactions energy: -7.127 where: short stacking energy: -7.127 Base-Backbone interact. energy: -0.002 local terms energy: -14.129659 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -1.935 flat angles C4'-P-C4' energy: -4.440 flat angles P-C4'-P energy: -3.483 tors. eta vs tors. theta energy: 0.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -22.907597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.907597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.907597 (E_RNA) where: Base-Base interactions energy: -7.323 where: short stacking energy: -7.323 Base-Backbone interact. energy: -0.000 local terms energy: -15.584346 where: bonds (distance) C4'-P energy: -2.564 bonds (distance) P-C4' energy: -4.839 flat angles C4'-P-C4' energy: -2.606 flat angles P-C4'-P energy: -3.191 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: 8, replica: 6 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -21.188124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.188124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.188124 (E_RNA) where: Base-Base interactions energy: -3.833 where: short stacking energy: -3.833 Base-Backbone interact. energy: -0.000 local terms energy: -17.355374 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -3.811 flat angles C4'-P-C4' energy: -4.466 flat angles P-C4'-P energy: -3.843 tors. eta vs tors. theta energy: -1.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -21.226657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.226657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.226657 (E_RNA) where: Base-Base interactions energy: -4.487 where: short stacking energy: -4.487 Base-Backbone interact. energy: -0.000 local terms energy: -16.739595 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -2.590 flat angles P-C4'-P energy: -2.988 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: 10, replica: 4 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -22.784703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.784703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.784703 (E_RNA) where: Base-Base interactions energy: -4.239 where: short stacking energy: -4.239 Base-Backbone interact. energy: -0.000 local terms energy: -18.545378 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -3.811 flat angles C4'-P-C4' energy: -4.032 flat angles P-C4'-P energy: -4.025 tors. eta vs tors. theta energy: -2.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -27.615768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.615768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.615768 (E_RNA) where: Base-Base interactions energy: -7.455 where: short stacking energy: -7.455 Base-Backbone interact. energy: -0.000 local terms energy: -20.160953 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.104 flat angles C4'-P-C4' energy: -4.343 flat angles P-C4'-P energy: -2.610 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: 2, replica: 8 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -28.716095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.716095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.716095 (E_RNA) where: Base-Base interactions energy: -10.975 where: short stacking energy: -10.975 Base-Backbone interact. energy: -0.000 local terms energy: -17.741145 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -4.731 flat angles P-C4'-P energy: -2.153 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: 3, replica: 3 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -29.393897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.393897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.393897 (E_RNA) where: Base-Base interactions energy: -11.292 where: short stacking energy: -11.292 Base-Backbone interact. energy: -0.000 local terms energy: -18.101618 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -4.336 flat angles C4'-P-C4' energy: -4.265 flat angles P-C4'-P energy: -0.959 tors. eta vs tors. theta energy: -4.993 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: 4, replica: 7 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -26.947189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.947189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.947189 (E_RNA) where: Base-Base interactions energy: -8.539 where: short stacking energy: -8.539 Base-Backbone interact. energy: -0.000 local terms energy: -18.407948 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.007 flat angles P-C4'-P energy: -3.469 tors. eta vs tors. theta energy: -2.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -24.967251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.967251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.967251 (E_RNA) where: Base-Base interactions energy: -7.044 where: short stacking energy: -7.044 Base-Backbone interact. energy: -0.023 local terms energy: -17.900220 where: bonds (distance) C4'-P energy: -2.387 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.277 flat angles P-C4'-P energy: -3.591 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: 6, replica: 9 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -22.469316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.469316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.469316 (E_RNA) where: Base-Base interactions energy: -6.759 where: short stacking energy: -6.759 Base-Backbone interact. energy: -0.041 local terms energy: -15.669366 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -3.323 flat angles P-C4'-P energy: -2.471 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: 6 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -22.474535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.474535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.474535 (E_RNA) where: Base-Base interactions energy: -6.240 where: short stacking energy: -6.240 Base-Backbone interact. energy: -0.085 local terms energy: -16.149249 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.195 flat angles P-C4'-P energy: -2.773 tors. eta vs tors. theta energy: -1.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -20.704282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.704282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.704282 (E_RNA) where: Base-Base interactions energy: -3.700 where: short stacking energy: -3.700 Base-Backbone interact. energy: -0.000 local terms energy: -17.004160 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.763 flat angles P-C4'-P energy: -3.568 tors. eta vs tors. theta energy: -0.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -25.133734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.133734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.133734 (E_RNA) where: Base-Base interactions energy: -6.915 where: short stacking energy: -6.915 Base-Backbone interact. energy: -0.000 local terms energy: -18.218355 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.102 flat angles P-C4'-P energy: -3.407 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: 10, replica: 5 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -18.905432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.905432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.905432 (E_RNA) where: Base-Base interactions energy: -4.497 where: short stacking energy: -4.631 Base-Backbone interact. energy: -1.322 local terms energy: -13.086056 where: bonds (distance) C4'-P energy: -3.194 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.043 flat angles P-C4'-P energy: -3.304 tors. eta vs tors. theta energy: 1.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -26.739938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.739938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.739938 (E_RNA) where: Base-Base interactions energy: -7.510 where: short stacking energy: -7.510 Base-Backbone interact. energy: -0.032 local terms energy: -19.197889 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.099 flat angles P-C4'-P energy: -3.007 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: 8 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -28.006895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.006895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.006895 (E_RNA) where: Base-Base interactions energy: -8.472 where: short stacking energy: -8.472 Base-Backbone interact. energy: -0.000 local terms energy: -19.534858 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.568 flat angles P-C4'-P energy: -2.653 tors. eta vs tors. theta energy: -3.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -27.224055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.224055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.224055 (E_RNA) where: Base-Base interactions energy: -9.731 where: short stacking energy: -10.172 Base-Backbone interact. energy: -0.878 local terms energy: -16.614540 where: bonds (distance) C4'-P energy: -1.037 bonds (distance) P-C4' energy: -3.889 flat angles C4'-P-C4' energy: -4.805 flat angles P-C4'-P energy: -4.021 tors. eta vs tors. theta energy: -2.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -27.674333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.674333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.674333 (E_RNA) where: Base-Base interactions energy: -8.808 where: short stacking energy: -8.808 Base-Backbone interact. energy: -0.000 local terms energy: -18.866189 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -3.722 flat angles P-C4'-P energy: -2.803 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: 5, replica: 7 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -25.251381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.251381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.251381 (E_RNA) where: Base-Base interactions energy: -10.495 where: short stacking energy: -10.495 Base-Backbone interact. energy: -0.000 local terms energy: -14.756468 where: bonds (distance) C4'-P energy: -3.479 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.238 flat angles P-C4'-P energy: 0.133 tors. eta vs tors. theta energy: -2.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -26.577404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.577404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.577404 (E_RNA) where: Base-Base interactions energy: -7.301 where: short stacking energy: -7.301 Base-Backbone interact. energy: -0.000 local terms energy: -19.276053 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.750 flat angles P-C4'-P energy: -1.755 tors. eta vs tors. theta energy: -3.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -23.356390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.356390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.356390 (E_RNA) where: Base-Base interactions energy: -5.380 where: short stacking energy: -5.380 Base-Backbone interact. energy: -0.000 local terms energy: -17.975998 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.705 flat angles P-C4'-P energy: -1.438 tors. eta vs tors. theta energy: -3.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -21.011102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.011102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.011102 (E_RNA) where: Base-Base interactions energy: -4.371 where: short stacking energy: -4.371 Base-Backbone interact. energy: -0.000 local terms energy: -16.639743 where: bonds (distance) C4'-P energy: -3.078 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.995 flat angles P-C4'-P energy: -3.419 tors. eta vs tors. theta energy: -1.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -23.615623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.615623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.615623 (E_RNA) where: Base-Base interactions energy: -6.650 where: short stacking energy: -6.650 Base-Backbone interact. energy: -0.000 local terms energy: -16.965825 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -4.201 flat angles P-C4'-P energy: -0.662 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: 10, replica: 5 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -22.015790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.015790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.015790 (E_RNA) where: Base-Base interactions energy: -3.370 where: short stacking energy: -3.370 Base-Backbone interact. energy: -0.010 local terms energy: -18.635976 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.153 flat angles P-C4'-P energy: -3.373 tors. eta vs tors. theta energy: -2.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -25.935537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.935537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.935537 (E_RNA) where: Base-Base interactions energy: -7.659 where: short stacking energy: -7.659 Base-Backbone interact. energy: -0.000 local terms energy: -18.276646 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.570 flat angles P-C4'-P energy: -3.647 tors. eta vs tors. theta energy: -0.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -26.832196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.832196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.832196 (E_RNA) where: Base-Base interactions energy: -9.488 where: short stacking energy: -9.834 Base-Backbone interact. energy: -0.019 local terms energy: -17.324970 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.252 flat angles P-C4'-P energy: -2.084 tors. eta vs tors. theta energy: -2.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -27.301040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.301040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.301040 (E_RNA) where: Base-Base interactions energy: -8.409 where: short stacking energy: -8.409 Base-Backbone interact. energy: -0.000 local terms energy: -18.892482 where: bonds (distance) C4'-P energy: -3.281 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -4.013 flat angles P-C4'-P energy: -3.594 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: 4, replica: 3 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -29.250493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.250493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.250493 (E_RNA) where: Base-Base interactions energy: -9.735 where: short stacking energy: -9.735 Base-Backbone interact. energy: -0.000 local terms energy: -19.515262 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.051 flat angles C4'-P-C4' energy: -4.574 flat angles P-C4'-P energy: -2.894 tors. eta vs tors. theta energy: -3.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -25.723852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.723852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.723852 (E_RNA) where: Base-Base interactions energy: -11.495 where: short stacking energy: -11.495 Base-Backbone interact. energy: -0.007 local terms energy: -14.221844 where: bonds (distance) C4'-P energy: -3.277 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.534 flat angles P-C4'-P energy: -2.808 tors. eta vs tors. theta energy: 0.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -22.749058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.749058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.749058 (E_RNA) where: Base-Base interactions energy: -2.979 where: short stacking energy: -2.979 Base-Backbone interact. energy: -0.000 local terms energy: -19.769627 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.468 flat angles P-C4'-P energy: -2.668 tors. eta vs tors. theta energy: -2.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -21.398366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.398366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.398366 (E_RNA) where: Base-Base interactions energy: -7.472 where: short stacking energy: -7.472 Base-Backbone interact. energy: -0.000 local terms energy: -13.926198 where: bonds (distance) C4'-P energy: -0.842 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -1.457 flat angles P-C4'-P energy: -3.608 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: 8, replica: 9 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -23.521009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.521009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.521009 (E_RNA) where: Base-Base interactions energy: -5.541 where: short stacking energy: -5.541 Base-Backbone interact. energy: -0.000 local terms energy: -17.980323 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.265 flat angles P-C4'-P energy: -2.335 tors. eta vs tors. theta energy: -2.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -21.344616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.344616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.344616 (E_RNA) where: Base-Base interactions energy: -6.718 where: short stacking energy: -6.718 Base-Backbone interact. energy: -0.002 local terms energy: -14.624905 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -3.079 flat angles C4'-P-C4' energy: -3.637 flat angles P-C4'-P energy: -3.984 tors. eta vs tors. theta energy: 0.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -21.117939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.117939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.117939 (E_RNA) where: Base-Base interactions energy: -5.746 where: short stacking energy: -5.746 Base-Backbone interact. energy: -0.000 local terms energy: -15.371603 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.590 flat angles P-C4'-P energy: -1.400 tors. eta vs tors. theta energy: -1.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -30.803785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.803785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.803785 (E_RNA) where: Base-Base interactions energy: -10.845 where: short stacking energy: -10.845 Base-Backbone interact. energy: -0.000 local terms energy: -19.958999 where: bonds (distance) C4'-P energy: -3.673 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.134 flat angles P-C4'-P energy: -2.796 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: 2 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -26.302102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.302102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.302102 (E_RNA) where: Base-Base interactions energy: -8.316 where: short stacking energy: -8.316 Base-Backbone interact. energy: -0.000 local terms energy: -17.986469 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -3.653 flat angles P-C4'-P energy: -2.357 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: 3, replica: 1 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -28.133441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.133441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.133441 (E_RNA) where: Base-Base interactions energy: -10.052 where: short stacking energy: -10.052 Base-Backbone interact. energy: -0.000 local terms energy: -18.081756 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -5.368 flat angles C4'-P-C4' energy: -3.180 flat angles P-C4'-P energy: -3.566 tors. eta vs tors. theta energy: -1.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -30.649992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.649992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.649992 (E_RNA) where: Base-Base interactions energy: -12.357 where: short stacking energy: -12.357 Base-Backbone interact. energy: -0.000 local terms energy: -18.292875 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -4.110 flat angles C4'-P-C4' energy: -4.152 flat angles P-C4'-P energy: -2.145 tors. eta vs tors. theta energy: -4.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -23.527531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.527531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.527531 (E_RNA) where: Base-Base interactions energy: -7.727 where: short stacking energy: -7.727 Base-Backbone interact. energy: -0.003 local terms energy: -15.798170 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -3.652 flat angles C4'-P-C4' energy: -3.692 flat angles P-C4'-P energy: -3.017 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: 6, replica: 4 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -24.937455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.937455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.937455 (E_RNA) where: Base-Base interactions energy: -7.956 where: short stacking energy: -7.956 Base-Backbone interact. energy: -0.000 local terms energy: -16.981507 where: bonds (distance) C4'-P energy: -4.009 bonds (distance) P-C4' energy: -3.777 flat angles C4'-P-C4' energy: -3.705 flat angles P-C4'-P energy: -3.350 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: 7, replica: 7 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -22.573131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.573131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.573131 (E_RNA) where: Base-Base interactions energy: -7.457 where: short stacking energy: -7.457 Base-Backbone interact. energy: -0.026 local terms energy: -15.089978 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -2.582 flat angles C4'-P-C4' energy: -3.575 flat angles P-C4'-P energy: -2.979 tors. eta vs tors. theta energy: -1.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -24.804943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.804943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.804943 (E_RNA) where: Base-Base interactions energy: -9.552 where: short stacking energy: -9.552 Base-Backbone interact. energy: -0.000 local terms energy: -15.253155 where: bonds (distance) C4'-P energy: -1.840 bonds (distance) P-C4' energy: -3.987 flat angles C4'-P-C4' energy: -4.271 flat angles P-C4'-P energy: -3.455 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: 9, replica: 9 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -22.970346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.970346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.970346 (E_RNA) where: Base-Base interactions energy: -7.859 where: short stacking energy: -7.859 Base-Backbone interact. energy: -0.001 local terms energy: -15.110244 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.656 flat angles P-C4'-P energy: -3.071 tors. eta vs tors. theta energy: -0.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -20.474005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.474005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.474005 (E_RNA) where: Base-Base interactions energy: -3.484 where: short stacking energy: -3.484 Base-Backbone interact. energy: -0.105 local terms energy: -16.884462 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.629 flat angles P-C4'-P energy: -2.719 tors. eta vs tors. theta energy: -0.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -30.678860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.678860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.678860 (E_RNA) where: Base-Base interactions energy: -12.825 where: short stacking energy: -12.825 Base-Backbone interact. energy: -0.000 local terms energy: -17.853560 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.750 flat angles P-C4'-P energy: -2.414 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: 8 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -23.702082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.702082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.702082 (E_RNA) where: Base-Base interactions energy: -8.058 where: short stacking energy: -8.215 Base-Backbone interact. energy: -0.222 local terms energy: -15.422623 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -2.061 flat angles P-C4'-P energy: -1.765 tors. eta vs tors. theta energy: -2.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -27.047155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.047155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.047155 (E_RNA) where: Base-Base interactions energy: -11.363 where: short stacking energy: -11.363 Base-Backbone interact. energy: -0.013 local terms energy: -15.670264 where: bonds (distance) C4'-P energy: -3.566 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -4.341 flat angles P-C4'-P energy: -2.499 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: 4, replica: 6 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -26.774544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.774544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.774544 (E_RNA) where: Base-Base interactions energy: -7.977 where: short stacking energy: -7.977 Base-Backbone interact. energy: -0.000 local terms energy: -18.797649 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.712 flat angles P-C4'-P energy: -0.820 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: 5, replica: 4 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -23.117657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.117657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.117657 (E_RNA) where: Base-Base interactions energy: -4.145 where: short stacking energy: -4.145 Base-Backbone interact. energy: -0.000 local terms energy: -18.972402 where: bonds (distance) C4'-P energy: -3.202 bonds (distance) P-C4' energy: -3.821 flat angles C4'-P-C4' energy: -4.161 flat angles P-C4'-P energy: -2.823 tors. eta vs tors. theta energy: -4.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -21.452024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.452024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.452024 (E_RNA) where: Base-Base interactions energy: -3.746 where: short stacking energy: -3.746 Base-Backbone interact. energy: -0.000 local terms energy: -17.705517 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -4.032 flat angles P-C4'-P energy: -2.324 tors. eta vs tors. theta energy: -2.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -23.927131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.927131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.927131 (E_RNA) where: Base-Base interactions energy: -7.165 where: short stacking energy: -7.165 Base-Backbone interact. energy: -0.000 local terms energy: -16.762210 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -2.481 flat angles P-C4'-P energy: -3.371 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: 8, replica: 7 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -21.759833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.759833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.759833 (E_RNA) where: Base-Base interactions energy: -6.605 where: short stacking energy: -6.605 Base-Backbone interact. energy: -0.006 local terms energy: -15.148382 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -3.557 flat angles C4'-P-C4' energy: -4.456 flat angles P-C4'-P energy: -2.738 tors. eta vs tors. theta energy: -0.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -23.142763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.142763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.142763 (E_RNA) where: Base-Base interactions energy: -4.209 where: short stacking energy: -4.209 Base-Backbone interact. energy: -0.000 local terms energy: -18.934259 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.856 flat angles P-C4'-P energy: -2.663 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: 10, replica: 10 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -21.419598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.419598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.419598 (E_RNA) where: Base-Base interactions energy: -6.625 where: short stacking energy: -6.625 Base-Backbone interact. energy: -0.000 local terms energy: -14.794352 where: bonds (distance) C4'-P energy: -3.314 bonds (distance) P-C4' energy: -2.391 flat angles C4'-P-C4' energy: -3.957 flat angles P-C4'-P energy: -3.721 tors. eta vs tors. theta energy: -1.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -24.838590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.838590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.838590 (E_RNA) where: Base-Base interactions energy: -11.175 where: short stacking energy: -11.175 Base-Backbone interact. energy: -0.004 local terms energy: -13.659207 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.037 flat angles P-C4'-P energy: -2.418 tors. eta vs tors. theta energy: -0.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -27.592335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.592335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.592335 (E_RNA) where: Base-Base interactions energy: -8.703 where: short stacking energy: -8.703 Base-Backbone interact. energy: -0.000 local terms energy: -18.889562 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.235 flat angles P-C4'-P energy: -2.660 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: 8 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -25.225709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.225709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.225709 (E_RNA) where: Base-Base interactions energy: -9.542 where: short stacking energy: -9.542 Base-Backbone interact. energy: -0.000 local terms energy: -15.683338 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -2.391 flat angles C4'-P-C4' energy: -4.102 flat angles P-C4'-P energy: -2.144 tors. eta vs tors. theta energy: -3.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -27.166527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.166527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.166527 (E_RNA) where: Base-Base interactions energy: -10.198 where: short stacking energy: -10.198 Base-Backbone interact. energy: -1.163 local terms energy: -15.805872 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -1.482 flat angles P-C4'-P energy: -3.901 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: 5, replica: 6 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -22.063475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.063475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.063475 (E_RNA) where: Base-Base interactions energy: -3.847 where: short stacking energy: -3.847 Base-Backbone interact. energy: -0.000 local terms energy: -18.216343 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.505 flat angles P-C4'-P energy: -3.556 tors. eta vs tors. theta energy: -0.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -25.698970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.698970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.698970 (E_RNA) where: Base-Base interactions energy: -7.909 where: short stacking energy: -7.909 Base-Backbone interact. energy: -0.000 local terms energy: -17.789641 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -4.363 flat angles P-C4'-P energy: -3.587 tors. eta vs tors. theta energy: -1.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -21.960790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.960790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.960790 (E_RNA) where: Base-Base interactions energy: -4.412 where: short stacking energy: -4.412 Base-Backbone interact. energy: -0.099 local terms energy: -17.450503 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.842 flat angles C4'-P-C4' energy: -4.116 flat angles P-C4'-P energy: -4.033 tors. eta vs tors. theta energy: -0.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -20.972513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.972513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.972513 (E_RNA) where: Base-Base interactions energy: -6.014 where: short stacking energy: -6.014 Base-Backbone interact. energy: -0.000 local terms energy: -14.958462 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.642 flat angles P-C4'-P energy: -0.826 tors. eta vs tors. theta energy: -1.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -23.838153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.838153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.838153 (E_RNA) where: Base-Base interactions energy: -7.948 where: short stacking energy: -7.948 Base-Backbone interact. energy: -0.000 local terms energy: -15.889966 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -3.818 flat angles C4'-P-C4' energy: -4.398 flat angles P-C4'-P energy: -2.036 tors. eta vs tors. theta energy: -2.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -23.921840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.921840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.921840 (E_RNA) where: Base-Base interactions energy: -7.913 where: short stacking energy: -7.913 Base-Backbone interact. energy: -0.000 local terms energy: -16.008680 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.052 flat angles P-C4'-P energy: -1.176 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: 1, replica: 1 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -30.467285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.467285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.467285 (E_RNA) where: Base-Base interactions energy: -10.704 where: short stacking energy: -10.704 Base-Backbone interact. energy: -0.001 local terms energy: -19.762849 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -3.981 flat angles C4'-P-C4' energy: -3.884 flat angles P-C4'-P energy: -2.807 tors. eta vs tors. theta energy: -4.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -26.327904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.327904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.327904 (E_RNA) where: Base-Base interactions energy: -7.858 where: short stacking energy: -7.858 Base-Backbone interact. energy: -0.000 local terms energy: -18.470264 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.789 flat angles P-C4'-P energy: -2.392 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: 3, replica: 4 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -27.587206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.587206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.587206 (E_RNA) where: Base-Base interactions energy: -8.899 where: short stacking energy: -8.899 Base-Backbone interact. energy: -0.000 local terms energy: -18.688108 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.051 flat angles C4'-P-C4' energy: -4.165 flat angles P-C4'-P energy: -3.607 tors. eta vs tors. theta energy: -2.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -22.600355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.600355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.600355 (E_RNA) where: Base-Base interactions energy: -5.760 where: short stacking energy: -5.760 Base-Backbone interact. energy: -0.076 local terms energy: -16.764934 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -3.317 flat angles P-C4'-P energy: -3.172 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: 5 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -25.538993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.538993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.538993 (E_RNA) where: Base-Base interactions energy: -7.283 where: short stacking energy: -7.283 Base-Backbone interact. energy: -0.100 local terms energy: -18.155867 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.803 flat angles P-C4'-P energy: -3.786 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: 6 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -24.397074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.397074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.397074 (E_RNA) where: Base-Base interactions energy: -6.614 where: short stacking energy: -6.614 Base-Backbone interact. energy: -0.000 local terms energy: -17.782906 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -4.149 flat angles P-C4'-P energy: -2.656 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: 7, replica: 9 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -25.222542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.222542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.222542 (E_RNA) where: Base-Base interactions energy: -8.281 where: short stacking energy: -8.281 Base-Backbone interact. energy: -0.000 local terms energy: -16.941372 where: bonds (distance) C4'-P energy: -3.683 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -3.058 flat angles P-C4'-P energy: -3.503 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: 3 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -25.527392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.527392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.527392 (E_RNA) where: Base-Base interactions energy: -8.484 where: short stacking energy: -8.484 Base-Backbone interact. energy: -0.003 local terms energy: -17.040452 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -4.717 flat angles P-C4'-P energy: -1.679 tors. eta vs tors. theta energy: -2.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -20.513053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.513053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.513053 (E_RNA) where: Base-Base interactions energy: -5.887 where: short stacking energy: -6.407 Base-Backbone interact. energy: -0.217 local terms energy: -14.409617 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -2.815 flat angles P-C4'-P energy: -1.023 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: 10, replica: 7 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -23.727422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.727422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.727422 (E_RNA) where: Base-Base interactions energy: -7.128 where: short stacking energy: -7.128 Base-Backbone interact. energy: -0.000 local terms energy: -16.599576 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -3.103 flat angles C4'-P-C4' energy: -4.890 flat angles P-C4'-P energy: -2.837 tors. eta vs tors. theta energy: -1.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -27.539600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.539600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.539600 (E_RNA) where: Base-Base interactions energy: -11.105 where: short stacking energy: -11.105 Base-Backbone interact. energy: -0.125 local terms energy: -16.308959 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -3.342 flat angles P-C4'-P energy: -2.255 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: 2, replica: 4 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -28.338019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.338019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.338019 (E_RNA) where: Base-Base interactions energy: -7.506 where: short stacking energy: -7.506 Base-Backbone interact. energy: -0.000 local terms energy: -20.831636 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -4.413 flat angles P-C4'-P energy: -3.340 tors. eta vs tors. theta energy: -4.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -28.910236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.910236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.910236 (E_RNA) where: Base-Base interactions energy: -10.908 where: short stacking energy: -10.908 Base-Backbone interact. energy: -0.002 local terms energy: -18.000022 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.339 flat angles C4'-P-C4' energy: -3.563 flat angles P-C4'-P energy: -3.533 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: 4, replica: 5 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -25.417189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.417189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.417189 (E_RNA) where: Base-Base interactions energy: -7.233 where: short stacking energy: -7.233 Base-Backbone interact. energy: -0.000 local terms energy: -18.184438 where: bonds (distance) C4'-P energy: -2.954 bonds (distance) P-C4' energy: -3.849 flat angles C4'-P-C4' energy: -4.426 flat angles P-C4'-P energy: -3.358 tors. eta vs tors. theta energy: -3.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -25.466705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.466705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.466705 (E_RNA) where: Base-Base interactions energy: -9.050 where: short stacking energy: -9.050 Base-Backbone interact. energy: -0.000 local terms energy: -16.416141 where: bonds (distance) C4'-P energy: -3.637 bonds (distance) P-C4' energy: -3.723 flat angles C4'-P-C4' energy: -4.485 flat angles P-C4'-P energy: -1.803 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: 6, replica: 9 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -21.460305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.460305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.460305 (E_RNA) where: Base-Base interactions energy: -7.089 where: short stacking energy: -7.089 Base-Backbone interact. energy: -0.069 local terms energy: -14.302805 where: bonds (distance) C4'-P energy: -3.264 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.271 flat angles P-C4'-P energy: -1.448 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: 7, replica: 6 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -26.908558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.908558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.908558 (E_RNA) where: Base-Base interactions energy: -11.106 where: short stacking energy: -11.106 Base-Backbone interact. energy: -0.000 local terms energy: -15.802657 where: bonds (distance) C4'-P energy: -3.036 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.205 flat angles P-C4'-P energy: -2.311 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: 8, replica: 10 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -23.538463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.538463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.538463 (E_RNA) where: Base-Base interactions energy: -4.655 where: short stacking energy: -4.655 Base-Backbone interact. energy: -0.000 local terms energy: -18.883602 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -3.350 flat angles P-C4'-P energy: -4.155 tors. eta vs tors. theta energy: -2.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -20.165283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.165283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.165283 (E_RNA) where: Base-Base interactions energy: -4.583 where: short stacking energy: -4.583 Base-Backbone interact. energy: -0.002 local terms energy: -15.580318 where: bonds (distance) C4'-P energy: -2.031 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.398 flat angles P-C4'-P energy: -2.547 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: 10, replica: 7 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -24.538110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.538110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.538110 (E_RNA) where: Base-Base interactions energy: -11.588 where: short stacking energy: -11.588 Base-Backbone interact. energy: -0.087 local terms energy: -12.862622 where: bonds (distance) C4'-P energy: -2.875 bonds (distance) P-C4' energy: -4.572 flat angles C4'-P-C4' energy: -3.402 flat angles P-C4'-P energy: -0.422 tors. eta vs tors. theta energy: -1.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -24.092080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.092080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.092080 (E_RNA) where: Base-Base interactions energy: -6.754 where: short stacking energy: -6.754 Base-Backbone interact. energy: -0.096 local terms energy: -17.242078 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -4.149 flat angles C4'-P-C4' energy: -4.169 flat angles P-C4'-P energy: -2.419 tors. eta vs tors. theta energy: -1.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -25.884361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.884361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.884361 (E_RNA) where: Base-Base interactions energy: -8.024 where: short stacking energy: -8.024 Base-Backbone interact. energy: -0.117 local terms energy: -17.743824 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -4.569 flat angles C4'-P-C4' energy: -4.801 flat angles P-C4'-P energy: -4.098 tors. eta vs tors. theta energy: 0.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -23.275987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.275987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.275987 (E_RNA) where: Base-Base interactions energy: -8.153 where: short stacking energy: -8.153 Base-Backbone interact. energy: -0.004 local terms energy: -15.118993 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -3.139 flat angles P-C4'-P energy: -3.101 tors. eta vs tors. theta energy: -0.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -28.094943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.094943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.094943 (E_RNA) where: Base-Base interactions energy: -10.744 where: short stacking energy: -10.744 Base-Backbone interact. energy: -0.000 local terms energy: -17.350575 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -3.966 flat angles C4'-P-C4' energy: -3.868 flat angles P-C4'-P energy: -2.878 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: 9 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -26.595138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.595138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.595138 (E_RNA) where: Base-Base interactions energy: -8.419 where: short stacking energy: -8.419 Base-Backbone interact. energy: -0.000 local terms energy: -18.176336 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.820 flat angles P-C4'-P energy: -3.750 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: 6, replica: 8 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -22.177146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.177146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.177146 (E_RNA) where: Base-Base interactions energy: -6.400 where: short stacking energy: -6.400 Base-Backbone interact. energy: -0.009 local terms energy: -15.768130 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -0.368 flat angles P-C4'-P energy: -3.759 tors. eta vs tors. theta energy: -2.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -21.632189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.632189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.632189 (E_RNA) where: Base-Base interactions energy: -6.749 where: short stacking energy: -6.749 Base-Backbone interact. energy: -0.001 local terms energy: -14.882368 where: bonds (distance) C4'-P energy: -2.626 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -2.695 flat angles P-C4'-P energy: -1.768 tors. eta vs tors. theta energy: -3.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -22.884470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.884470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.884470 (E_RNA) where: Base-Base interactions energy: -4.161 where: short stacking energy: -4.161 Base-Backbone interact. energy: -0.001 local terms energy: -18.722998 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.676 flat angles P-C4'-P energy: -3.350 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: 9, replica: 7 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -24.727321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.727321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.727321 (E_RNA) where: Base-Base interactions energy: -7.943 where: short stacking energy: -7.943 Base-Backbone interact. energy: -0.006 local terms energy: -16.777530 where: bonds (distance) C4'-P energy: -2.660 bonds (distance) P-C4' energy: -4.603 flat angles C4'-P-C4' energy: -3.184 flat angles P-C4'-P energy: -3.340 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: 10, replica: 3 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -25.969576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.969576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.969576 (E_RNA) where: Base-Base interactions energy: -8.565 where: short stacking energy: -8.565 Base-Backbone interact. energy: -0.000 local terms energy: -17.404648 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.202 flat angles P-C4'-P energy: -3.045 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: 4 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -28.123487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.123487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.123487 (E_RNA) where: Base-Base interactions energy: -8.703 where: short stacking energy: -8.703 Base-Backbone interact. energy: -0.000 local terms energy: -19.420325 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.993 flat angles P-C4'-P energy: -3.530 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: 2, replica: 5 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -26.220731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.220731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.220731 (E_RNA) where: Base-Base interactions energy: -8.697 where: short stacking energy: -8.697 Base-Backbone interact. energy: -0.002 local terms energy: -17.521577 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.974 flat angles P-C4'-P energy: -2.941 tors. eta vs tors. theta energy: -1.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -30.005727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.005727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.005727 (E_RNA) where: Base-Base interactions energy: -10.434 where: short stacking energy: -10.498 Base-Backbone interact. energy: -0.026 local terms energy: -19.546208 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.324 flat angles P-C4'-P energy: -3.372 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: 9 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -23.338948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.338948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.338948 (E_RNA) where: Base-Base interactions energy: -4.912 where: short stacking energy: -4.912 Base-Backbone interact. energy: -0.003 local terms energy: -18.424012 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.402 flat angles P-C4'-P energy: -3.208 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: 5, replica: 2 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -24.458403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.458403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.458403 (E_RNA) where: Base-Base interactions energy: -8.090 where: short stacking energy: -8.090 Base-Backbone interact. energy: -0.777 local terms energy: -15.591679 where: bonds (distance) C4'-P energy: -4.535 bonds (distance) P-C4' energy: -3.634 flat angles C4'-P-C4' energy: -3.138 flat angles P-C4'-P energy: -3.510 tors. eta vs tors. theta energy: -0.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -26.111675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.111675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.111675 (E_RNA) where: Base-Base interactions energy: -9.109 where: short stacking energy: -9.109 Base-Backbone interact. energy: -0.001 local terms energy: -17.001244 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -3.364 flat angles C4'-P-C4' energy: -4.345 flat angles P-C4'-P energy: -2.709 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: 7, replica: 8 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -19.882002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.882002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.882002 (E_RNA) where: Base-Base interactions energy: -4.072 where: short stacking energy: -4.072 Base-Backbone interact. energy: -0.035 local terms energy: -15.775458 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -5.128 flat angles C4'-P-C4' energy: -4.295 flat angles P-C4'-P energy: -3.345 tors. eta vs tors. theta energy: 0.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -22.611279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.611279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.611279 (E_RNA) where: Base-Base interactions energy: -6.701 where: short stacking energy: -6.701 Base-Backbone interact. energy: -0.000 local terms energy: -15.910521 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -2.977 flat angles P-C4'-P energy: -2.988 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: 9, replica: 10 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -22.772825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.772825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.772825 (E_RNA) where: Base-Base interactions energy: -5.602 where: short stacking energy: -5.602 Base-Backbone interact. energy: -0.040 local terms energy: -17.130643 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.966 flat angles P-C4'-P energy: -2.241 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: 10, replica: 3 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -22.384197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.384197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.384197 (E_RNA) where: Base-Base interactions energy: -6.827 where: short stacking energy: -6.827 Base-Backbone interact. energy: -0.000 local terms energy: -15.557081 where: bonds (distance) C4'-P energy: -3.637 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -2.960 flat angles P-C4'-P energy: -0.366 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: 1, replica: 5 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -26.726265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.726265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.726265 (E_RNA) where: Base-Base interactions energy: -8.102 where: short stacking energy: -8.102 Base-Backbone interact. energy: -0.100 local terms energy: -18.524901 where: bonds (distance) C4'-P energy: -3.977 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.486 flat angles P-C4'-P energy: -3.107 tors. eta vs tors. theta energy: -1.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -26.684778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.684778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.684778 (E_RNA) where: Base-Base interactions energy: -7.784 where: short stacking energy: -7.784 Base-Backbone interact. energy: -0.000 local terms energy: -18.900886 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -2.868 flat angles P-C4'-P energy: -2.338 tors. eta vs tors. theta energy: -5.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -26.063875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.063875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.063875 (E_RNA) where: Base-Base interactions energy: -8.846 where: short stacking energy: -8.846 Base-Backbone interact. energy: -0.000 local terms energy: -17.218241 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -4.575 flat angles C4'-P-C4' energy: -3.479 flat angles P-C4'-P energy: -1.801 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: 4, replica: 1 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -25.235021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.235021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.235021 (E_RNA) where: Base-Base interactions energy: -8.470 where: short stacking energy: -8.470 Base-Backbone interact. energy: -0.001 local terms energy: -16.764053 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -3.755 flat angles C4'-P-C4' energy: -3.717 flat angles P-C4'-P energy: -3.154 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: 6 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -20.735025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.735025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.735025 (E_RNA) where: Base-Base interactions energy: -6.879 where: short stacking energy: -6.879 Base-Backbone interact. energy: -0.015 local terms energy: -13.841363 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -3.885 flat angles C4'-P-C4' energy: -4.291 flat angles P-C4'-P energy: -1.939 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: 6, replica: 2 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -25.236450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.236450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.236450 (E_RNA) where: Base-Base interactions energy: -8.645 where: short stacking energy: -8.645 Base-Backbone interact. energy: -0.000 local terms energy: -16.591234 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.103 flat angles P-C4'-P energy: -1.682 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: 7, replica: 8 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -21.362791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.362791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.362791 (E_RNA) where: Base-Base interactions energy: -7.182 where: short stacking energy: -7.182 Base-Backbone interact. energy: -0.000 local terms energy: -14.180514 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -3.695 flat angles P-C4'-P energy: -0.334 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: 8, replica: 7 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -20.909753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.909753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.909753 (E_RNA) where: Base-Base interactions energy: -3.812 where: short stacking energy: -3.812 Base-Backbone interact. energy: -0.000 local terms energy: -17.097771 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.136 flat angles P-C4'-P energy: -2.336 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: 9, replica: 3 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -20.998216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.998216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.998216 (E_RNA) where: Base-Base interactions energy: -7.403 where: short stacking energy: -7.403 Base-Backbone interact. energy: -0.000 local terms energy: -13.595036 where: bonds (distance) C4'-P energy: -2.262 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -1.036 flat angles P-C4'-P energy: -2.039 tors. eta vs tors. theta energy: -3.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -21.529924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.529924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.529924 (E_RNA) where: Base-Base interactions energy: -4.685 where: short stacking energy: -4.685 Base-Backbone interact. energy: -0.008 local terms energy: -16.837542 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.803 flat angles P-C4'-P energy: -3.511 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: 1, replica: 5 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -26.922138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.922138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.922138 (E_RNA) where: Base-Base interactions energy: -11.907 where: short stacking energy: -11.907 Base-Backbone interact. energy: -0.007 local terms energy: -15.007712 where: bonds (distance) C4'-P energy: -3.194 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -3.051 flat angles P-C4'-P energy: -3.306 tors. eta vs tors. theta energy: -0.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -26.429187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.429187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.429187 (E_RNA) where: Base-Base interactions energy: -10.734 where: short stacking energy: -10.734 Base-Backbone interact. energy: -0.010 local terms energy: -15.684965 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.061 flat angles P-C4'-P energy: -2.474 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: 3, replica: 4 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -22.463657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.463657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.463657 (E_RNA) where: Base-Base interactions energy: -7.225 where: short stacking energy: -7.225 Base-Backbone interact. energy: -0.000 local terms energy: -15.238950 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -3.128 flat angles C4'-P-C4' energy: -4.434 flat angles P-C4'-P energy: -3.067 tors. eta vs tors. theta energy: -0.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -27.136443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.136443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.136443 (E_RNA) where: Base-Base interactions energy: -7.539 where: short stacking energy: -7.539 Base-Backbone interact. energy: -0.000 local terms energy: -19.597703 where: bonds (distance) C4'-P energy: -2.908 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.623 flat angles P-C4'-P energy: -3.138 tors. eta vs tors. theta energy: -4.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -20.682459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.682459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.682459 (E_RNA) where: Base-Base interactions energy: -5.305 where: short stacking energy: -5.305 Base-Backbone interact. energy: -0.012 local terms energy: -15.365507 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -3.821 flat angles P-C4'-P energy: -2.669 tors. eta vs tors. theta energy: 0.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -25.682570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.682570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.682570 (E_RNA) where: Base-Base interactions energy: -6.073 where: short stacking energy: -6.073 Base-Backbone interact. energy: -0.000 local terms energy: -19.609467 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.468 flat angles P-C4'-P energy: -3.207 tors. eta vs tors. theta energy: -2.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -24.176645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.176645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.176645 (E_RNA) where: Base-Base interactions energy: -8.471 where: short stacking energy: -8.471 Base-Backbone interact. energy: -0.000 local terms energy: -15.705268 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.835 flat angles P-C4'-P energy: -0.304 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: 8, replica: 3 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -23.391521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.391521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.391521 (E_RNA) where: Base-Base interactions energy: -7.030 where: short stacking energy: -7.030 Base-Backbone interact. energy: -0.106 local terms energy: -16.254864 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -2.789 flat angles P-C4'-P energy: -3.869 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: 9, replica: 7 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -20.124905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.124905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.124905 (E_RNA) where: Base-Base interactions energy: -7.455 where: short stacking energy: -7.455 Base-Backbone interact. energy: -0.000 local terms energy: -12.669574 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -1.799 flat angles P-C4'-P energy: 0.575 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: 10, replica: 10 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -22.328994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.328994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.328994 (E_RNA) where: Base-Base interactions energy: -9.890 where: short stacking energy: -9.890 Base-Backbone interact. energy: -0.479 local terms energy: -11.960104 where: bonds (distance) C4'-P energy: -2.598 bonds (distance) P-C4' energy: -3.494 flat angles C4'-P-C4' energy: -2.322 flat angles P-C4'-P energy: -3.097 tors. eta vs tors. theta energy: -0.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -25.407115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.407115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.407115 (E_RNA) where: Base-Base interactions energy: -7.899 where: short stacking energy: -7.899 Base-Backbone interact. energy: -0.002 local terms energy: -17.506054 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -3.656 flat angles C4'-P-C4' energy: -4.905 flat angles P-C4'-P energy: -3.561 tors. eta vs tors. theta energy: -1.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -25.717682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.717682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.717682 (E_RNA) where: Base-Base interactions energy: -8.083 where: short stacking energy: -8.083 Base-Backbone interact. energy: -0.000 local terms energy: -17.634196 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.205 flat angles C4'-P-C4' energy: -4.589 flat angles P-C4'-P energy: -1.386 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: 3, replica: 6 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -26.327237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.327237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.327237 (E_RNA) where: Base-Base interactions energy: -11.012 where: short stacking energy: -11.012 Base-Backbone interact. energy: -0.000 local terms energy: -15.315733 where: bonds (distance) C4'-P energy: -2.726 bonds (distance) P-C4' energy: -3.032 flat angles C4'-P-C4' energy: -3.214 flat angles P-C4'-P energy: -2.618 tors. eta vs tors. theta energy: -3.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -26.397661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.397661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.397661 (E_RNA) where: Base-Base interactions energy: -8.983 where: short stacking energy: -8.983 Base-Backbone interact. energy: -0.029 local terms energy: -17.386099 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.710 flat angles P-C4'-P energy: -2.866 tors. eta vs tors. theta energy: -1.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -24.107317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.107317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.107317 (E_RNA) where: Base-Base interactions energy: -7.510 where: short stacking energy: -7.510 Base-Backbone interact. energy: -0.000 local terms energy: -16.597340 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.103 flat angles C4'-P-C4' energy: -3.903 flat angles P-C4'-P energy: -2.180 tors. eta vs tors. theta energy: -2.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -21.520937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.520937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.520937 (E_RNA) where: Base-Base interactions energy: -3.672 where: short stacking energy: -4.072 Base-Backbone interact. energy: -0.032 local terms energy: -17.817444 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.957 flat angles P-C4'-P energy: -2.237 tors. eta vs tors. theta energy: -2.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -24.150929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.150929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.150929 (E_RNA) where: Base-Base interactions energy: -7.589 where: short stacking energy: -7.589 Base-Backbone interact. energy: -0.001 local terms energy: -16.561349 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -3.307 flat angles C4'-P-C4' energy: -3.540 flat angles P-C4'-P energy: -2.676 tors. eta vs tors. theta energy: -2.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -28.967726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.967726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.967726 (E_RNA) where: Base-Base interactions energy: -10.506 where: short stacking energy: -10.506 Base-Backbone interact. energy: -0.000 local terms energy: -18.461389 where: bonds (distance) C4'-P energy: -2.387 bonds (distance) P-C4' energy: -3.585 flat angles C4'-P-C4' energy: -4.333 flat angles P-C4'-P energy: -3.616 tors. eta vs tors. theta energy: -4.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -21.390331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.390331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.390331 (E_RNA) where: Base-Base interactions energy: -5.436 where: short stacking energy: -5.436 Base-Backbone interact. energy: -0.000 local terms energy: -15.954647 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.978 flat angles P-C4'-P energy: -1.705 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: 10, replica: 7 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -21.092752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.092752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.092752 (E_RNA) where: Base-Base interactions energy: -7.367 where: short stacking energy: -7.367 Base-Backbone interact. energy: -0.017 local terms energy: -13.708836 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -3.751 flat angles C4'-P-C4' energy: -2.898 flat angles P-C4'-P energy: -2.274 tors. eta vs tors. theta energy: -0.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -24.503479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.503479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.503479 (E_RNA) where: Base-Base interactions energy: -6.384 where: short stacking energy: -6.384 Base-Backbone interact. energy: -0.000 local terms energy: -18.119649 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -4.505 flat angles P-C4'-P energy: -2.100 tors. eta vs tors. theta energy: -2.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -28.911074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.911074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.911074 (E_RNA) where: Base-Base interactions energy: -12.049 where: short stacking energy: -12.049 Base-Backbone interact. energy: -0.000 local terms energy: -16.862556 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -1.557 flat angles P-C4'-P energy: -2.093 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: 3, replica: 9 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -25.178076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.178076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.178076 (E_RNA) where: Base-Base interactions energy: -11.049 where: short stacking energy: -11.049 Base-Backbone interact. energy: -0.000 local terms energy: -14.128739 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -4.180 flat angles C4'-P-C4' energy: -1.866 flat angles P-C4'-P energy: -1.283 tors. eta vs tors. theta energy: -2.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -27.257344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.257344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.257344 (E_RNA) where: Base-Base interactions energy: -10.245 where: short stacking energy: -10.245 Base-Backbone interact. energy: -0.000 local terms energy: -17.012315 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -2.867 flat angles C4'-P-C4' energy: -4.525 flat angles P-C4'-P energy: -2.060 tors. eta vs tors. theta energy: -3.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -24.014929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.014929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.014929 (E_RNA) where: Base-Base interactions energy: -9.630 where: short stacking energy: -9.630 Base-Backbone interact. energy: -0.000 local terms energy: -14.384570 where: bonds (distance) C4'-P energy: -3.032 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -3.425 flat angles P-C4'-P energy: -1.781 tors. eta vs tors. theta energy: -1.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -23.735673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.735673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.735673 (E_RNA) where: Base-Base interactions energy: -5.862 where: short stacking energy: -5.862 Base-Backbone interact. energy: -0.134 local terms energy: -17.740195 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.329 flat angles P-C4'-P energy: -3.419 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: 7, replica: 1 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -24.014319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.014319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.014319 (E_RNA) where: Base-Base interactions energy: -8.271 where: short stacking energy: -8.271 Base-Backbone interact. energy: -0.000 local terms energy: -15.743237 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.314 flat angles C4'-P-C4' energy: -4.710 flat angles P-C4'-P energy: -0.871 tors. eta vs tors. theta energy: -1.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -20.996416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.996416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.996416 (E_RNA) where: Base-Base interactions energy: -7.250 where: short stacking energy: -7.250 Base-Backbone interact. energy: -0.000 local terms energy: -13.746162 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -1.831 flat angles P-C4'-P energy: -2.640 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: 2 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -20.850986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.850986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.850986 (E_RNA) where: Base-Base interactions energy: -3.291 where: short stacking energy: -3.291 Base-Backbone interact. energy: -0.001 local terms energy: -17.559598 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.890 flat angles P-C4'-P energy: -3.770 tors. eta vs tors. theta energy: 0.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -19.352715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.352715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.352715 (E_RNA) where: Base-Base interactions energy: -3.214 where: short stacking energy: -3.214 Base-Backbone interact. energy: -0.107 local terms energy: -16.031686 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.108 flat angles P-C4'-P energy: -2.894 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: 6 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -32.552319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.552319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.552319 (E_RNA) where: Base-Base interactions energy: -12.298 where: short stacking energy: -12.298 Base-Backbone interact. energy: -0.000 local terms energy: -20.254356 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -3.721 flat angles P-C4'-P energy: -2.420 tors. eta vs tors. theta energy: -5.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -26.918057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.918057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.918057 (E_RNA) where: Base-Base interactions energy: -9.619 where: short stacking energy: -9.619 Base-Backbone interact. energy: -0.098 local terms energy: -17.201849 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -4.271 flat angles P-C4'-P energy: -3.178 tors. eta vs tors. theta energy: -0.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -26.881622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.881622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.881622 (E_RNA) where: Base-Base interactions energy: -11.011 where: short stacking energy: -11.011 Base-Backbone interact. energy: -0.003 local terms energy: -15.867579 where: bonds (distance) C4'-P energy: -3.745 bonds (distance) P-C4' energy: -4.103 flat angles C4'-P-C4' energy: -3.953 flat angles P-C4'-P energy: -2.702 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: 4, replica: 9 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -22.772711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.772711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.772711 (E_RNA) where: Base-Base interactions energy: -5.683 where: short stacking energy: -4.419 Base-Backbone interact. energy: -0.078 local terms energy: -17.011843 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -4.184 flat angles C4'-P-C4' energy: -3.553 flat angles P-C4'-P energy: -3.412 tors. eta vs tors. theta energy: -2.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -25.548687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.548687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.548687 (E_RNA) where: Base-Base interactions energy: -9.226 where: short stacking energy: -9.226 Base-Backbone interact. energy: -0.001 local terms energy: -16.321970 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -1.578 flat angles P-C4'-P energy: -1.388 tors. eta vs tors. theta energy: -4.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -25.440630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.440630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.440630 (E_RNA) where: Base-Base interactions energy: -7.345 where: short stacking energy: -7.345 Base-Backbone interact. energy: -0.000 local terms energy: -18.095662 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -3.411 flat angles P-C4'-P energy: -2.931 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: 7, replica: 10 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -25.945240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.945240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.945240 (E_RNA) where: Base-Base interactions energy: -12.354 where: short stacking energy: -12.354 Base-Backbone interact. energy: -0.090 local terms energy: -13.500965 where: bonds (distance) C4'-P energy: -0.271 bonds (distance) P-C4' energy: -4.152 flat angles C4'-P-C4' energy: -3.762 flat angles P-C4'-P energy: -3.259 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: 1 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -21.740629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.740629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.740629 (E_RNA) where: Base-Base interactions energy: -9.246 where: short stacking energy: -9.397 Base-Backbone interact. energy: -0.001 local terms energy: -12.493784 where: bonds (distance) C4'-P energy: -2.743 bonds (distance) P-C4' energy: -3.643 flat angles C4'-P-C4' energy: -4.627 flat angles P-C4'-P energy: -0.025 tors. eta vs tors. theta energy: -1.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -21.175543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.175543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.175543 (E_RNA) where: Base-Base interactions energy: -7.036 where: short stacking energy: -7.036 Base-Backbone interact. energy: -0.003 local terms energy: -14.136743 where: bonds (distance) C4'-P energy: -2.900 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -2.624 flat angles P-C4'-P energy: -2.513 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: 2 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -22.645538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.645538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.645538 (E_RNA) where: Base-Base interactions energy: -7.595 where: short stacking energy: -7.595 Base-Backbone interact. energy: 0.108 local terms energy: -15.158882 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -3.984 flat angles C4'-P-C4' energy: -4.364 flat angles P-C4'-P energy: -3.292 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: 453 Temperature: 0.900000 Total energy: -24.522204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.522204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.522204 (E_RNA) where: Base-Base interactions energy: -7.412 where: short stacking energy: -7.412 Base-Backbone interact. energy: -0.000 local terms energy: -17.109706 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -4.761 flat angles P-C4'-P energy: -3.363 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: 2, replica: 8 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -28.258450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.258450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.258450 (E_RNA) where: Base-Base interactions energy: -10.342 where: short stacking energy: -10.342 Base-Backbone interact. energy: -0.000 local terms energy: -17.916483 where: bonds (distance) C4'-P energy: -2.850 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.924 flat angles P-C4'-P energy: -3.340 tors. eta vs tors. theta energy: -1.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -24.339995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.339995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.339995 (E_RNA) where: Base-Base interactions energy: -7.758 where: short stacking energy: -7.758 Base-Backbone interact. energy: -0.007 local terms energy: -16.574781 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -3.031 flat angles P-C4'-P energy: -2.491 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: 4, replica: 3 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -23.255234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.255234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.255234 (E_RNA) where: Base-Base interactions energy: -7.089 where: short stacking energy: -7.089 Base-Backbone interact. energy: -0.000 local terms energy: -16.166322 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.600 flat angles C4'-P-C4' energy: -1.577 flat angles P-C4'-P energy: -3.547 tors. eta vs tors. theta energy: -2.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -24.817713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.817713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.817713 (E_RNA) where: Base-Base interactions energy: -7.994 where: short stacking energy: -7.994 Base-Backbone interact. energy: 0.747 local terms energy: -17.570957 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.076 flat angles P-C4'-P energy: -3.740 tors. eta vs tors. theta energy: -2.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -21.812504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.812504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.812504 (E_RNA) where: Base-Base interactions energy: -5.784 where: short stacking energy: -5.784 Base-Backbone interact. energy: -0.000 local terms energy: -16.028500 where: bonds (distance) C4'-P energy: -3.567 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -2.791 flat angles P-C4'-P energy: -3.370 tors. eta vs tors. theta energy: -1.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -22.785417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.785417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.785417 (E_RNA) where: Base-Base interactions energy: -7.175 where: short stacking energy: -7.175 Base-Backbone interact. energy: -0.001 local terms energy: -15.609820 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -5.128 flat angles C4'-P-C4' energy: -3.805 flat angles P-C4'-P energy: -2.626 tors. eta vs tors. theta energy: 0.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -26.422549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.422549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.422549 (E_RNA) where: Base-Base interactions energy: -10.389 where: short stacking energy: -10.389 Base-Backbone interact. energy: -0.008 local terms energy: -16.025181 where: bonds (distance) C4'-P energy: -3.389 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.014 flat angles P-C4'-P energy: -2.924 tors. eta vs tors. theta energy: -0.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -20.840623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.840623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.840623 (E_RNA) where: Base-Base interactions energy: -5.857 where: short stacking energy: -5.857 Base-Backbone interact. energy: -0.868 local terms energy: -14.115512 where: bonds (distance) C4'-P energy: -2.896 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.168 flat angles P-C4'-P energy: -3.800 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: 10, replica: 2 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -23.339546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.339546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.339546 (E_RNA) where: Base-Base interactions energy: -5.125 where: short stacking energy: -5.125 Base-Backbone interact. energy: -0.023 local terms energy: -18.191997 where: bonds (distance) C4'-P energy: -2.287 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.587 flat angles P-C4'-P energy: -2.644 tors. eta vs tors. theta energy: -3.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -23.409397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.409397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.409397 (E_RNA) where: Base-Base interactions energy: -7.478 where: short stacking energy: -7.478 Base-Backbone interact. energy: 0.072 local terms energy: -16.003356 where: bonds (distance) C4'-P energy: -3.683 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.908 flat angles P-C4'-P energy: -3.349 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: 2, replica: 6 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -27.860484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.860484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.860484 (E_RNA) where: Base-Base interactions energy: -11.959 where: short stacking energy: -11.959 Base-Backbone interact. energy: -0.000 local terms energy: -15.901093 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -3.360 flat angles C4'-P-C4' energy: -3.911 flat angles P-C4'-P energy: -2.723 tors. eta vs tors. theta energy: -1.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -25.470812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.470812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.470812 (E_RNA) where: Base-Base interactions energy: -9.656 where: short stacking energy: -9.656 Base-Backbone interact. energy: -0.100 local terms energy: -15.715268 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -3.944 flat angles C4'-P-C4' energy: -3.636 flat angles P-C4'-P energy: -2.932 tors. eta vs tors. theta energy: -0.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -23.222996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.222996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.222996 (E_RNA) where: Base-Base interactions energy: -7.302 where: short stacking energy: -7.302 Base-Backbone interact. energy: -0.005 local terms energy: -15.915814 where: bonds (distance) C4'-P energy: -2.759 bonds (distance) P-C4' energy: -5.128 flat angles C4'-P-C4' energy: -3.895 flat angles P-C4'-P energy: -3.076 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: 5, replica: 4 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -28.298476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.298476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.298476 (E_RNA) where: Base-Base interactions energy: -6.883 where: short stacking energy: -6.883 Base-Backbone interact. energy: -0.000 local terms energy: -21.415437 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -3.759 flat angles P-C4'-P energy: -3.813 tors. eta vs tors. theta energy: -4.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -24.821238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.821238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.821238 (E_RNA) where: Base-Base interactions energy: -8.197 where: short stacking energy: -8.197 Base-Backbone interact. energy: -0.000 local terms energy: -16.624318 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.345 flat angles P-C4'-P energy: -3.661 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: 7 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -21.551349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.551349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.551349 (E_RNA) where: Base-Base interactions energy: -8.415 where: short stacking energy: -8.415 Base-Backbone interact. energy: 0.467 local terms energy: -13.603066 where: bonds (distance) C4'-P energy: -2.415 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.534 flat angles P-C4'-P energy: -3.112 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: 8, replica: 10 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -20.758145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.758145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.758145 (E_RNA) where: Base-Base interactions energy: -3.954 where: short stacking energy: -3.954 Base-Backbone interact. energy: -0.037 local terms energy: -16.766972 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -4.150 flat angles P-C4'-P energy: -3.545 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: 9, replica: 2 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -23.448483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.448483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.448483 (E_RNA) where: Base-Base interactions energy: -7.087 where: short stacking energy: -7.087 Base-Backbone interact. energy: -0.083 local terms energy: -16.278406 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.794 flat angles P-C4'-P energy: -2.954 tors. eta vs tors. theta energy: -0.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -18.372367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.372367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.372367 (E_RNA) where: Base-Base interactions energy: -3.981 where: short stacking energy: -3.981 Base-Backbone interact. energy: -0.032 local terms energy: -14.360235 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.683 flat angles P-C4'-P energy: -2.174 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: 1, replica: 8 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -27.757611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.757611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.757611 (E_RNA) where: Base-Base interactions energy: -11.258 where: short stacking energy: -11.258 Base-Backbone interact. energy: -0.001 local terms energy: -16.498960 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -2.926 flat angles P-C4'-P energy: -3.388 tors. eta vs tors. theta energy: -1.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -29.854495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.854495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.854495 (E_RNA) where: Base-Base interactions energy: -10.015 where: short stacking energy: -10.015 Base-Backbone interact. energy: -0.000 local terms energy: -19.839634 where: bonds (distance) C4'-P energy: -3.683 bonds (distance) P-C4' energy: -5.128 flat angles C4'-P-C4' energy: -3.953 flat angles P-C4'-P energy: -2.130 tors. eta vs tors. theta energy: -4.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -25.928721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.928721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.928721 (E_RNA) where: Base-Base interactions energy: -7.470 where: short stacking energy: -7.470 Base-Backbone interact. energy: -0.000 local terms energy: -18.458427 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -2.357 flat angles P-C4'-P energy: -2.943 tors. eta vs tors. theta energy: -4.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -27.142232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.142232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.142232 (E_RNA) where: Base-Base interactions energy: -6.353 where: short stacking energy: -6.353 Base-Backbone interact. energy: -0.000 local terms energy: -20.788907 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.786 flat angles P-C4'-P energy: -2.616 tors. eta vs tors. theta energy: -4.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -23.378188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.378188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.378188 (E_RNA) where: Base-Base interactions energy: -8.149 where: short stacking energy: -8.149 Base-Backbone interact. energy: -0.016 local terms energy: -15.213290 where: bonds (distance) C4'-P energy: -3.406 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -3.453 flat angles P-C4'-P energy: -3.122 tors. eta vs tors. theta energy: -0.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -21.067379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.067379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.067379 (E_RNA) where: Base-Base interactions energy: -6.215 where: short stacking energy: -6.215 Base-Backbone interact. energy: -0.080 local terms energy: -14.772327 where: bonds (distance) C4'-P energy: -3.637 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.045 flat angles P-C4'-P energy: -1.091 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: 7, replica: 9 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -22.743841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.743841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.743841 (E_RNA) where: Base-Base interactions energy: -7.826 where: short stacking energy: -7.826 Base-Backbone interact. energy: -0.000 local terms energy: -14.917796 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -4.174 flat angles C4'-P-C4' energy: -2.940 flat angles P-C4'-P energy: -2.570 tors. eta vs tors. theta energy: -1.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -21.741405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.741405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.741405 (E_RNA) where: Base-Base interactions energy: -5.618 where: short stacking energy: -5.618 Base-Backbone interact. energy: -0.046 local terms energy: -16.077742 where: bonds (distance) C4'-P energy: -3.335 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.498 flat angles P-C4'-P energy: -2.302 tors. eta vs tors. theta energy: -0.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -20.243700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.243700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.243700 (E_RNA) where: Base-Base interactions energy: -3.941 where: short stacking energy: -4.490 Base-Backbone interact. energy: -0.001 local terms energy: -16.302087 where: bonds (distance) C4'-P energy: -3.045 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -4.687 flat angles P-C4'-P energy: -3.580 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: 10, replica: 1 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -19.769273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.769273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.769273 (E_RNA) where: Base-Base interactions energy: -1.592 where: short stacking energy: -1.592 Base-Backbone interact. energy: -0.001 local terms energy: -18.177069 where: bonds (distance) C4'-P energy: -3.301 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.874 flat angles P-C4'-P energy: -3.038 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: 8 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -26.712617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.712617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.712617 (E_RNA) where: Base-Base interactions energy: -8.686 where: short stacking energy: -8.686 Base-Backbone interact. energy: -0.000 local terms energy: -18.026787 where: bonds (distance) C4'-P energy: -2.759 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.585 flat angles P-C4'-P energy: -3.689 tors. eta vs tors. theta energy: -1.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -25.424893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.424893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.424893 (E_RNA) where: Base-Base interactions energy: -8.353 where: short stacking energy: -8.353 Base-Backbone interact. energy: -0.000 local terms energy: -17.072162 where: bonds (distance) C4'-P energy: -4.311 bonds (distance) P-C4' energy: -5.361 flat angles C4'-P-C4' energy: -3.796 flat angles P-C4'-P energy: -2.726 tors. eta vs tors. theta energy: -0.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -24.146233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.146233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.146233 (E_RNA) where: Base-Base interactions energy: -9.785 where: short stacking energy: -9.785 Base-Backbone interact. energy: -0.001 local terms energy: -14.360258 where: bonds (distance) C4'-P energy: -3.761 bonds (distance) P-C4' energy: -3.821 flat angles C4'-P-C4' energy: -3.380 flat angles P-C4'-P energy: -3.181 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: 4, replica: 6 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -24.560126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.560126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.560126 (E_RNA) where: Base-Base interactions energy: -7.831 where: short stacking energy: -7.831 Base-Backbone interact. energy: -0.002 local terms energy: -16.727695 where: bonds (distance) C4'-P energy: -3.645 bonds (distance) P-C4' energy: -4.336 flat angles C4'-P-C4' energy: -1.930 flat angles P-C4'-P energy: -3.201 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: 5, replica: 7 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -21.274455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.274455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.274455 (E_RNA) where: Base-Base interactions energy: -3.544 where: short stacking energy: -3.544 Base-Backbone interact. energy: -0.000 local terms energy: -17.729887 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.311 flat angles P-C4'-P energy: -3.339 tors. eta vs tors. theta energy: -0.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -27.294428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.294428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.294428 (E_RNA) where: Base-Base interactions energy: -8.517 where: short stacking energy: -8.517 Base-Backbone interact. energy: -0.000 local terms energy: -18.777907 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.559 flat angles P-C4'-P energy: -2.576 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: 2 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -25.832010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.832010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.832010 (E_RNA) where: Base-Base interactions energy: -8.475 where: short stacking energy: -8.475 Base-Backbone interact. energy: -0.000 local terms energy: -17.356866 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.614 flat angles P-C4'-P energy: -1.584 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: 8, replica: 9 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -20.241737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.241737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.241737 (E_RNA) where: Base-Base interactions energy: -6.566 where: short stacking energy: -6.566 Base-Backbone interact. energy: -0.002 local terms energy: -13.673736 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.082 flat angles C4'-P-C4' energy: -1.724 flat angles P-C4'-P energy: -2.485 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: 9, replica: 1 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -20.472949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.472949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.472949 (E_RNA) where: Base-Base interactions energy: -2.994 where: short stacking energy: -2.994 Base-Backbone interact. energy: -0.008 local terms energy: -17.470648 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -2.834 flat angles P-C4'-P energy: -3.994 tors. eta vs tors. theta energy: -2.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -23.783973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.783973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.783973 (E_RNA) where: Base-Base interactions energy: -9.599 where: short stacking energy: -9.599 Base-Backbone interact. energy: -0.000 local terms energy: -14.184683 where: bonds (distance) C4'-P energy: -2.415 bonds (distance) P-C4' energy: -2.727 flat angles C4'-P-C4' energy: -4.349 flat angles P-C4'-P energy: -1.529 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: 1, replica: 8 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -30.941435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.941435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.941435 (E_RNA) where: Base-Base interactions energy: -12.314 where: short stacking energy: -12.314 Base-Backbone interact. energy: -0.000 local terms energy: -18.627587 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -1.423 flat angles P-C4'-P energy: -3.547 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: 2, replica: 4 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -30.767886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.767886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.767886 (E_RNA) where: Base-Base interactions energy: -12.255 where: short stacking energy: -12.255 Base-Backbone interact. energy: -0.000 local terms energy: -18.512547 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.631 flat angles C4'-P-C4' energy: -4.154 flat angles P-C4'-P energy: -1.059 tors. eta vs tors. theta energy: -4.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -25.189379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.189379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.189379 (E_RNA) where: Base-Base interactions energy: -6.467 where: short stacking energy: -6.467 Base-Backbone interact. energy: -0.000 local terms energy: -18.722716 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.629 flat angles P-C4'-P energy: -4.091 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: 4, replica: 7 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -27.512637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.512637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.512637 (E_RNA) where: Base-Base interactions energy: -7.124 where: short stacking energy: -7.124 Base-Backbone interact. energy: -0.000 local terms energy: -20.388211 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -3.964 flat angles P-C4'-P energy: -3.891 tors. eta vs tors. theta energy: -3.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -23.684598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.684598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.684598 (E_RNA) where: Base-Base interactions energy: -6.926 where: short stacking energy: -6.926 Base-Backbone interact. energy: -0.056 local terms energy: -16.703493 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.153 flat angles P-C4'-P energy: -2.975 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: 6, replica: 2 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -22.716606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.716606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.716606 (E_RNA) where: Base-Base interactions energy: -7.153 where: short stacking energy: -7.153 Base-Backbone interact. energy: -0.000 local terms energy: -15.563373 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.188 flat angles P-C4'-P energy: -2.873 tors. eta vs tors. theta energy: 1.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -28.165505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.165505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.165505 (E_RNA) where: Base-Base interactions energy: -10.925 where: short stacking energy: -10.925 Base-Backbone interact. energy: -0.000 local terms energy: -17.240884 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -3.864 flat angles P-C4'-P energy: -1.925 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: 8, replica: 1 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -19.840659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.840659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.840659 (E_RNA) where: Base-Base interactions energy: -4.177 where: short stacking energy: -4.177 Base-Backbone interact. energy: -0.000 local terms energy: -15.663651 where: bonds (distance) C4'-P energy: -3.513 bonds (distance) P-C4' energy: -3.364 flat angles C4'-P-C4' energy: -4.256 flat angles P-C4'-P energy: -3.806 tors. eta vs tors. theta energy: -0.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -21.286016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.286016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.286016 (E_RNA) where: Base-Base interactions energy: -3.281 where: short stacking energy: -3.281 Base-Backbone interact. energy: -0.000 local terms energy: -18.004677 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.325 flat angles P-C4'-P energy: -2.924 tors. eta vs tors. theta energy: -2.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -20.357690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.357690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.357690 (E_RNA) where: Base-Base interactions energy: -7.416 where: short stacking energy: -7.416 Base-Backbone interact. energy: -0.007 local terms energy: -12.935424 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -2.027 flat angles C4'-P-C4' energy: -1.962 flat angles P-C4'-P energy: -3.444 tors. eta vs tors. theta energy: -1.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -30.479975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.479975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.479975 (E_RNA) where: Base-Base interactions energy: -10.282 where: short stacking energy: -10.282 Base-Backbone interact. energy: -0.000 local terms energy: -20.197497 where: bonds (distance) C4'-P energy: -3.161 bonds (distance) P-C4' energy: -5.104 flat angles C4'-P-C4' energy: -4.155 flat angles P-C4'-P energy: -4.014 tors. eta vs tors. theta energy: -3.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -25.882388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.882388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.882388 (E_RNA) where: Base-Base interactions energy: -7.143 where: short stacking energy: -7.143 Base-Backbone interact. energy: -0.000 local terms energy: -18.738995 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -3.582 flat angles C4'-P-C4' energy: -4.608 flat angles P-C4'-P energy: -2.802 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: 3, replica: 7 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -26.651900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.651900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.651900 (E_RNA) where: Base-Base interactions energy: -7.526 where: short stacking energy: -7.526 Base-Backbone interact. energy: -0.000 local terms energy: -19.125628 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.735 flat angles P-C4'-P energy: -3.406 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: 4, replica: 3 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -20.034504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.034504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.034504 (E_RNA) where: Base-Base interactions energy: -3.035 where: short stacking energy: -3.035 Base-Backbone interact. energy: -0.000 local terms energy: -16.999509 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.716 flat angles P-C4'-P energy: -1.804 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: 2 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -21.446508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.446508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.446508 (E_RNA) where: Base-Base interactions energy: -6.954 where: short stacking energy: -6.954 Base-Backbone interact. energy: -0.035 local terms energy: -14.457246 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.025 flat angles P-C4'-P energy: -0.842 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: 6, replica: 6 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -23.177625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.177625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.177625 (E_RNA) where: Base-Base interactions energy: -5.558 where: short stacking energy: -5.558 Base-Backbone interact. energy: -0.000 local terms energy: -17.619530 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.919 flat angles P-C4'-P energy: -3.597 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: 7, replica: 1 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -23.558516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.558516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.558516 (E_RNA) where: Base-Base interactions energy: -7.164 where: short stacking energy: -7.164 Base-Backbone interact. energy: -0.022 local terms energy: -16.372620 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -2.861 flat angles C4'-P-C4' energy: -4.487 flat angles P-C4'-P energy: -3.311 tors. eta vs tors. theta energy: -1.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -23.848312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.848312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.848312 (E_RNA) where: Base-Base interactions energy: -7.230 where: short stacking energy: -7.230 Base-Backbone interact. energy: -0.033 local terms energy: -16.585824 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.257 flat angles P-C4'-P energy: -1.142 tors. eta vs tors. theta energy: -2.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -23.759102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.759102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.759102 (E_RNA) where: Base-Base interactions energy: -11.921 where: short stacking energy: -11.921 Base-Backbone interact. energy: -0.096 local terms energy: -11.741910 where: bonds (distance) C4'-P energy: -2.113 bonds (distance) P-C4' energy: -2.241 flat angles C4'-P-C4' energy: -3.944 flat angles P-C4'-P energy: -2.875 tors. eta vs tors. theta energy: -0.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -23.964081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.964081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.964081 (E_RNA) where: Base-Base interactions energy: -6.485 where: short stacking energy: -6.485 Base-Backbone interact. energy: -0.000 local terms energy: -17.479357 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -3.818 flat angles C4'-P-C4' energy: -3.784 flat angles P-C4'-P energy: -2.952 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: 1, replica: 4 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -24.212933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.212933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.212933 (E_RNA) where: Base-Base interactions energy: -7.227 where: short stacking energy: -7.227 Base-Backbone interact. energy: -0.096 local terms energy: -16.889287 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.134 flat angles P-C4'-P energy: -3.209 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: 2, replica: 7 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -26.399549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.399549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.399549 (E_RNA) where: Base-Base interactions energy: -7.925 where: short stacking energy: -7.925 Base-Backbone interact. energy: -0.306 local terms energy: -18.168698 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -4.452 flat angles P-C4'-P energy: -3.168 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: 3, replica: 8 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -24.626951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.626951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.626951 (E_RNA) where: Base-Base interactions energy: -8.685 where: short stacking energy: -8.685 Base-Backbone interact. energy: -0.080 local terms energy: -15.862275 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.013 flat angles P-C4'-P energy: -3.017 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: 2 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -25.160173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.160173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.160173 (E_RNA) where: Base-Base interactions energy: -9.167 where: short stacking energy: -9.167 Base-Backbone interact. energy: -0.000 local terms energy: -15.993286 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.228 flat angles P-C4'-P energy: -3.050 tors. eta vs tors. theta energy: -0.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -21.482740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.482740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.482740 (E_RNA) where: Base-Base interactions energy: -11.021 where: short stacking energy: -11.021 Base-Backbone interact. energy: -0.000 local terms energy: -10.461788 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -1.443 flat angles P-C4'-P energy: 1.149 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: 1 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -24.426552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.426552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.426552 (E_RNA) where: Base-Base interactions energy: -6.094 where: short stacking energy: -6.094 Base-Backbone interact. energy: -0.000 local terms energy: -18.332448 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.502 flat angles P-C4'-P energy: -3.673 tors. eta vs tors. theta energy: -2.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -25.685712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.685712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.685712 (E_RNA) where: Base-Base interactions energy: -8.801 where: short stacking energy: -8.801 Base-Backbone interact. energy: -0.000 local terms energy: -16.885108 where: bonds (distance) C4'-P energy: -2.804 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -3.552 flat angles P-C4'-P energy: -1.391 tors. eta vs tors. theta energy: -4.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -22.875507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.875507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.875507 (E_RNA) where: Base-Base interactions energy: -7.224 where: short stacking energy: -7.224 Base-Backbone interact. energy: -0.001 local terms energy: -15.651265 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -3.578 flat angles C4'-P-C4' energy: -3.620 flat angles P-C4'-P energy: -2.604 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: 9, replica: 5 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -22.894374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.894374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.894374 (E_RNA) where: Base-Base interactions energy: -6.637 where: short stacking energy: -6.637 Base-Backbone interact. energy: -0.000 local terms energy: -16.257803 where: bonds (distance) C4'-P energy: -1.803 bonds (distance) P-C4' energy: -4.572 flat angles C4'-P-C4' energy: -3.895 flat angles P-C4'-P energy: -1.705 tors. eta vs tors. theta energy: -4.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -21.318706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.318706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.318706 (E_RNA) where: Base-Base interactions energy: -3.699 where: short stacking energy: -3.699 Base-Backbone interact. energy: -0.009 local terms energy: -17.610969 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.534 flat angles P-C4'-P energy: -3.459 tors. eta vs tors. theta energy: 0.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -28.734577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.734577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.734577 (E_RNA) where: Base-Base interactions energy: -11.342 where: short stacking energy: -11.342 Base-Backbone interact. energy: -0.016 local terms energy: -17.376870 where: bonds (distance) C4'-P energy: -2.536 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -4.151 flat angles P-C4'-P energy: -3.843 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: 2, replica: 4 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -27.733364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.733364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.733364 (E_RNA) where: Base-Base interactions energy: -10.626 where: short stacking energy: -10.626 Base-Backbone interact. energy: -0.000 local terms energy: -17.107785 where: bonds (distance) C4'-P energy: -2.387 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.327 flat angles P-C4'-P energy: -1.439 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: 3, replica: 2 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -25.284805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.284805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.284805 (E_RNA) where: Base-Base interactions energy: -8.902 where: short stacking energy: -8.902 Base-Backbone interact. energy: 0.171 local terms energy: -16.554579 where: bonds (distance) C4'-P energy: -3.053 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.293 flat angles P-C4'-P energy: -3.650 tors. eta vs tors. theta energy: -1.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -26.042607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.042607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.042607 (E_RNA) where: Base-Base interactions energy: -8.054 where: short stacking energy: -8.054 Base-Backbone interact. energy: -0.000 local terms energy: -17.988423 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -2.867 flat angles C4'-P-C4' energy: -4.712 flat angles P-C4'-P energy: -2.307 tors. eta vs tors. theta energy: -3.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -23.508643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.508643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.508643 (E_RNA) where: Base-Base interactions energy: -6.723 where: short stacking energy: -6.723 Base-Backbone interact. energy: -0.000 local terms energy: -16.785476 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -4.370 flat angles C4'-P-C4' energy: -4.681 flat angles P-C4'-P energy: -3.460 tors. eta vs tors. theta energy: -0.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -27.728787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.728787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.728787 (E_RNA) where: Base-Base interactions energy: -9.591 where: short stacking energy: -9.591 Base-Backbone interact. energy: -0.375 local terms energy: -17.763029 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -2.680 flat angles C4'-P-C4' energy: -3.972 flat angles P-C4'-P energy: -3.569 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: 7, replica: 10 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -25.105649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.105649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.105649 (E_RNA) where: Base-Base interactions energy: -7.545 where: short stacking energy: -7.545 Base-Backbone interact. energy: -0.000 local terms energy: -17.560336 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.918 flat angles P-C4'-P energy: -2.538 tors. eta vs tors. theta energy: -3.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -23.087331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.087331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.087331 (E_RNA) where: Base-Base interactions energy: -6.684 where: short stacking energy: -6.684 Base-Backbone interact. energy: -0.000 local terms energy: -16.403324 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.363 flat angles P-C4'-P energy: -0.335 tors. eta vs tors. theta energy: -2.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -19.947179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.947179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.947179 (E_RNA) where: Base-Base interactions energy: -2.584 where: short stacking energy: -2.584 Base-Backbone interact. energy: -0.001 local terms energy: -17.362160 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.148 flat angles P-C4'-P energy: -1.752 tors. eta vs tors. theta energy: -1.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -21.341002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.341002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.341002 (E_RNA) where: Base-Base interactions energy: -3.387 where: short stacking energy: -3.387 Base-Backbone interact. energy: -0.081 local terms energy: -17.873021 where: bonds (distance) C4'-P energy: -3.708 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.435 flat angles P-C4'-P energy: -3.036 tors. eta vs tors. theta energy: -1.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -30.161068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.161068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.161068 (E_RNA) where: Base-Base interactions energy: -11.618 where: short stacking energy: -11.618 Base-Backbone interact. energy: -0.000 local terms energy: -18.543283 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -3.994 flat angles C4'-P-C4' energy: -3.358 flat angles P-C4'-P energy: -3.177 tors. eta vs tors. theta energy: -3.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -25.955327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.955327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.955327 (E_RNA) where: Base-Base interactions energy: -11.508 where: short stacking energy: -11.508 Base-Backbone interact. energy: -0.000 local terms energy: -14.446555 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -1.312 flat angles C4'-P-C4' energy: -4.580 flat angles P-C4'-P energy: -1.230 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: 3, replica: 4 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -24.018068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.018068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.018068 (E_RNA) where: Base-Base interactions energy: -6.417 where: short stacking energy: -6.417 Base-Backbone interact. energy: -0.000 local terms energy: -17.601188 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -3.301 flat angles C4'-P-C4' energy: -3.516 flat angles P-C4'-P energy: -3.582 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: 4, replica: 3 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -26.049451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.049451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.049451 (E_RNA) where: Base-Base interactions energy: -7.498 where: short stacking energy: -7.498 Base-Backbone interact. energy: -0.000 local terms energy: -18.551397 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -3.981 flat angles C4'-P-C4' energy: -4.869 flat angles P-C4'-P energy: -3.329 tors. eta vs tors. theta energy: -2.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -27.142754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.142754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.142754 (E_RNA) where: Base-Base interactions energy: -7.112 where: short stacking energy: -7.112 Base-Backbone interact. energy: -0.000 local terms energy: -20.030653 where: bonds (distance) C4'-P energy: -4.643 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.000 flat angles P-C4'-P energy: -3.178 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: 10 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -21.881871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.881871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.881871 (E_RNA) where: Base-Base interactions energy: -6.579 where: short stacking energy: -6.579 Base-Backbone interact. energy: -0.000 local terms energy: -15.302874 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.683 flat angles P-C4'-P energy: -0.581 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: 7, replica: 1 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -28.289980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.289980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.289980 (E_RNA) where: Base-Base interactions energy: -12.231 where: short stacking energy: -12.231 Base-Backbone interact. energy: -0.038 local terms energy: -16.021139 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.532 flat angles C4'-P-C4' energy: -2.240 flat angles P-C4'-P energy: -3.115 tors. eta vs tors. theta energy: -2.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -24.644802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.644802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.644802 (E_RNA) where: Base-Base interactions energy: -7.883 where: short stacking energy: -7.883 Base-Backbone interact. energy: -0.000 local terms energy: -16.761309 where: bonds (distance) C4'-P energy: -2.804 bonds (distance) P-C4' energy: -3.987 flat angles C4'-P-C4' energy: -4.491 flat angles P-C4'-P energy: -2.193 tors. eta vs tors. theta energy: -3.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -21.300073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.300073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.300073 (E_RNA) where: Base-Base interactions energy: -7.122 where: short stacking energy: -7.122 Base-Backbone interact. energy: -0.000 local terms energy: -14.178231 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -1.974 flat angles P-C4'-P energy: -2.407 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: 10, replica: 5 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -18.574687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.574687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.574687 (E_RNA) where: Base-Base interactions energy: -5.769 where: short stacking energy: -5.769 Base-Backbone interact. energy: -0.023 local terms energy: -12.783491 where: bonds (distance) C4'-P energy: -2.626 bonds (distance) P-C4' energy: -2.814 flat angles C4'-P-C4' energy: -3.890 flat angles P-C4'-P energy: -2.492 tors. eta vs tors. theta energy: -0.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -25.019451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.019451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.019451 (E_RNA) where: Base-Base interactions energy: -6.303 where: short stacking energy: -6.303 Base-Backbone interact. energy: -0.085 local terms energy: -18.630664 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.836 flat angles P-C4'-P energy: -3.865 tors. eta vs tors. theta energy: -1.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -27.756159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.756159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.756159 (E_RNA) where: Base-Base interactions energy: -11.665 where: short stacking energy: -11.665 Base-Backbone interact. energy: -0.000 local terms energy: -16.091251 where: bonds (distance) C4'-P energy: -1.641 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.744 flat angles P-C4'-P energy: -1.935 tors. eta vs tors. theta energy: -3.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -25.111317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.111317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.111317 (E_RNA) where: Base-Base interactions energy: -10.231 where: short stacking energy: -10.231 Base-Backbone interact. energy: -0.006 local terms energy: -14.874243 where: bonds (distance) C4'-P energy: -1.409 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.435 flat angles P-C4'-P energy: -3.249 tors. eta vs tors. theta energy: -1.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -22.778027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.778027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.778027 (E_RNA) where: Base-Base interactions energy: -4.681 where: short stacking energy: -4.681 Base-Backbone interact. energy: -0.017 local terms energy: -18.079664 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.717 flat angles P-C4'-P energy: -3.587 tors. eta vs tors. theta energy: -0.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -20.550589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.550589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.550589 (E_RNA) where: Base-Base interactions energy: -7.264 where: short stacking energy: -7.264 Base-Backbone interact. energy: -0.012 local terms energy: -13.274607 where: bonds (distance) C4'-P energy: -1.559 bonds (distance) P-C4' energy: -3.557 flat angles C4'-P-C4' energy: -3.639 flat angles P-C4'-P energy: -3.957 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: 8 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -24.913132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.913132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.913132 (E_RNA) where: Base-Base interactions energy: -7.612 where: short stacking energy: -7.612 Base-Backbone interact. energy: -0.000 local terms energy: -17.301065 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.292 flat angles P-C4'-P energy: -3.843 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: 7, replica: 9 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -20.293286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.293286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.293286 (E_RNA) where: Base-Base interactions energy: -4.770 where: short stacking energy: -4.770 Base-Backbone interact. energy: -0.000 local terms energy: -15.522674 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -5.128 flat angles C4'-P-C4' energy: -3.719 flat angles P-C4'-P energy: -3.746 tors. eta vs tors. theta energy: 0.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -21.896011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.896011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.896011 (E_RNA) where: Base-Base interactions energy: -8.673 where: short stacking energy: -8.673 Base-Backbone interact. energy: -0.000 local terms energy: -13.222604 where: bonds (distance) C4'-P energy: -2.573 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -3.590 flat angles P-C4'-P energy: -2.039 tors. eta vs tors. theta energy: -0.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -20.868992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.868992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.868992 (E_RNA) where: Base-Base interactions energy: -3.667 where: short stacking energy: -3.667 Base-Backbone interact. energy: -0.000 local terms energy: -17.201812 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.438 flat angles P-C4'-P energy: -2.931 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: 462 Temperature: 1.350000 Total energy: -20.017776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.017776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.017776 (E_RNA) where: Base-Base interactions energy: -6.323 where: short stacking energy: -6.323 Base-Backbone interact. energy: -0.072 local terms energy: -13.622880 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -4.152 flat angles C4'-P-C4' energy: -2.924 flat angles P-C4'-P energy: -1.744 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: 1, replica: 7 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -29.534315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.534315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.534315 (E_RNA) where: Base-Base interactions energy: -12.241 where: short stacking energy: -12.241 Base-Backbone interact. energy: -0.024 local terms energy: -17.269423 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.572 flat angles C4'-P-C4' energy: -4.311 flat angles P-C4'-P energy: -3.351 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: 2, replica: 3 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -26.655989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.655989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.655989 (E_RNA) where: Base-Base interactions energy: -6.603 where: short stacking energy: -6.603 Base-Backbone interact. energy: -0.008 local terms energy: -20.045327 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.089 flat angles P-C4'-P energy: -3.434 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: 3, replica: 2 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -22.622040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.622040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.622040 (E_RNA) where: Base-Base interactions energy: -7.325 where: short stacking energy: -7.325 Base-Backbone interact. energy: 0.310 local terms energy: -15.607624 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -3.659 flat angles C4'-P-C4' energy: -3.258 flat angles P-C4'-P energy: -2.820 tors. eta vs tors. theta energy: -1.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -29.825068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.825068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.825068 (E_RNA) where: Base-Base interactions energy: -10.838 where: short stacking energy: -10.838 Base-Backbone interact. energy: -0.000 local terms energy: -18.987152 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -2.847 flat angles P-C4'-P energy: -2.515 tors. eta vs tors. theta energy: -4.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -22.508984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.508984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.508984 (E_RNA) where: Base-Base interactions energy: -5.564 where: short stacking energy: -5.564 Base-Backbone interact. energy: -0.000 local terms energy: -16.944789 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.953 flat angles P-C4'-P energy: -1.999 tors. eta vs tors. theta energy: -1.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -22.983866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.983866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.983866 (E_RNA) where: Base-Base interactions energy: -4.318 where: short stacking energy: -4.318 Base-Backbone interact. energy: -0.001 local terms energy: -18.665259 where: bonds (distance) C4'-P energy: -2.804 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.750 flat angles P-C4'-P energy: -3.097 tors. eta vs tors. theta energy: -2.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -21.578618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.578618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.578618 (E_RNA) where: Base-Base interactions energy: -3.607 where: short stacking energy: -3.607 Base-Backbone interact. energy: -0.000 local terms energy: -17.971382 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.839 flat angles P-C4'-P energy: -3.150 tors. eta vs tors. theta energy: -0.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -21.099971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.099971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.099971 (E_RNA) where: Base-Base interactions energy: -4.120 where: short stacking energy: -4.120 Base-Backbone interact. energy: -0.000 local terms energy: -16.980432 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.786 flat angles P-C4'-P energy: -3.175 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: 9, replica: 1 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -21.413949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.413949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.413949 (E_RNA) where: Base-Base interactions energy: -8.024 where: short stacking energy: -8.024 Base-Backbone interact. energy: -0.002 local terms energy: -13.388170 where: bonds (distance) C4'-P energy: -0.565 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -4.324 flat angles P-C4'-P energy: -2.895 tors. eta vs tors. theta energy: -1.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -20.771348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.771348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.771348 (E_RNA) where: Base-Base interactions energy: -6.902 where: short stacking energy: -6.902 Base-Backbone interact. energy: -0.030 local terms energy: -13.839563 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.472 flat angles P-C4'-P energy: -1.443 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: 3 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -25.554148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.554148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.554148 (E_RNA) where: Base-Base interactions energy: -9.608 where: short stacking energy: -9.608 Base-Backbone interact. energy: -0.000 local terms energy: -15.945611 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -4.051 flat angles C4'-P-C4' energy: -3.571 flat angles P-C4'-P energy: -2.955 tors. eta vs tors. theta energy: -1.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -29.365190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.365190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.365190 (E_RNA) where: Base-Base interactions energy: -11.851 where: short stacking energy: -11.851 Base-Backbone interact. energy: -0.000 local terms energy: -17.514450 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -3.975 flat angles P-C4'-P energy: -1.504 tors. eta vs tors. theta energy: -3.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -25.173492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.173492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.173492 (E_RNA) where: Base-Base interactions energy: -7.032 where: short stacking energy: -7.032 Base-Backbone interact. energy: -0.000 local terms energy: -18.141349 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -4.325 flat angles P-C4'-P energy: -3.339 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: 4, replica: 2 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -23.013130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.013130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.013130 (E_RNA) where: Base-Base interactions energy: -8.338 where: short stacking energy: -8.338 Base-Backbone interact. energy: -0.002 local terms energy: -14.672530 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -2.517 flat angles C4'-P-C4' energy: -3.054 flat angles P-C4'-P energy: -3.523 tors. eta vs tors. theta energy: -1.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -24.394696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.394696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.394696 (E_RNA) where: Base-Base interactions energy: -10.631 where: short stacking energy: -10.631 Base-Backbone interact. energy: -0.000 local terms energy: -13.763525 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -3.793 flat angles C4'-P-C4' energy: -2.571 flat angles P-C4'-P energy: -0.062 tors. eta vs tors. theta energy: -3.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -23.893368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.893368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.893368 (E_RNA) where: Base-Base interactions energy: -7.688 where: short stacking energy: -7.688 Base-Backbone interact. energy: -0.009 local terms energy: -16.196408 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -2.979 flat angles P-C4'-P energy: -3.307 tors. eta vs tors. theta energy: -1.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -22.662132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.662132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.662132 (E_RNA) where: Base-Base interactions energy: -3.736 where: short stacking energy: -3.736 Base-Backbone interact. energy: -1.255 local terms energy: -17.671539 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.977 flat angles P-C4'-P energy: -2.668 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: 8, replica: 8 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -23.476015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.476015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.476015 (E_RNA) where: Base-Base interactions energy: -9.215 where: short stacking energy: -9.215 Base-Backbone interact. energy: -0.000 local terms energy: -14.261158 where: bonds (distance) C4'-P energy: -3.869 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -3.676 flat angles P-C4'-P energy: 1.116 tors. eta vs tors. theta energy: -3.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -20.272750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.272750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.272750 (E_RNA) where: Base-Base interactions energy: -6.466 where: short stacking energy: -6.466 Base-Backbone interact. energy: -0.000 local terms energy: -13.806979 where: bonds (distance) C4'-P energy: -2.093 bonds (distance) P-C4' energy: -3.134 flat angles C4'-P-C4' energy: -3.722 flat angles P-C4'-P energy: -2.277 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: 10, replica: 6 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -19.930180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.930180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.930180 (E_RNA) where: Base-Base interactions energy: -3.445 where: short stacking energy: -3.445 Base-Backbone interact. energy: -0.000 local terms energy: -16.484771 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.656 flat angles P-C4'-P energy: -3.242 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: 1, replica: 3 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -30.616410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.616410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.616410 (E_RNA) where: Base-Base interactions energy: -11.978 where: short stacking energy: -11.978 Base-Backbone interact. energy: -0.008 local terms energy: -18.630353 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -3.941 flat angles C4'-P-C4' energy: -4.732 flat angles P-C4'-P energy: -3.235 tors. eta vs tors. theta energy: -3.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -23.441026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.441026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.441026 (E_RNA) where: Base-Base interactions energy: -7.875 where: short stacking energy: -7.875 Base-Backbone interact. energy: -0.050 local terms energy: -15.515474 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.295 flat angles P-C4'-P energy: -1.754 tors. eta vs tors. theta energy: -0.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -24.330223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.330223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.330223 (E_RNA) where: Base-Base interactions energy: -7.654 where: short stacking energy: -7.654 Base-Backbone interact. energy: -0.000 local terms energy: -16.675950 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -3.726 flat angles C4'-P-C4' energy: -3.928 flat angles P-C4'-P energy: -3.115 tors. eta vs tors. theta energy: -2.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -22.346398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.346398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.346398 (E_RNA) where: Base-Base interactions energy: -4.724 where: short stacking energy: -4.724 Base-Backbone interact. energy: -0.000 local terms energy: -17.622216 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -4.679 flat angles P-C4'-P energy: -3.116 tors. eta vs tors. theta energy: -1.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -22.763195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.763195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.763195 (E_RNA) where: Base-Base interactions energy: -4.089 where: short stacking energy: -4.089 Base-Backbone interact. energy: -0.000 local terms energy: -18.674228 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.502 flat angles P-C4'-P energy: -3.059 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: 6, replica: 5 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -23.142753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.142753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.142753 (E_RNA) where: Base-Base interactions energy: -5.986 where: short stacking energy: -5.986 Base-Backbone interact. energy: -0.100 local terms energy: -17.056759 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.296 flat angles P-C4'-P energy: -3.142 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: 4 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -23.189065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.189065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.189065 (E_RNA) where: Base-Base interactions energy: -4.153 where: short stacking energy: -4.153 Base-Backbone interact. energy: -0.000 local terms energy: -19.036370 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.413 flat angles C4'-P-C4' energy: -4.066 flat angles P-C4'-P energy: -2.426 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: 8, replica: 1 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -25.038367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.038367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.038367 (E_RNA) where: Base-Base interactions energy: -6.790 where: short stacking energy: -6.790 Base-Backbone interact. energy: -0.000 local terms energy: -18.247982 where: bonds (distance) C4'-P energy: -3.567 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.280 flat angles P-C4'-P energy: -2.422 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: 9, replica: 8 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -23.234273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.234273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.234273 (E_RNA) where: Base-Base interactions energy: -7.058 where: short stacking energy: -7.058 Base-Backbone interact. energy: -0.000 local terms energy: -16.176467 where: bonds (distance) C4'-P energy: -2.983 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -3.465 flat angles P-C4'-P energy: -1.815 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: 10, replica: 6 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -19.644012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.644012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.644012 (E_RNA) where: Base-Base interactions energy: -5.461 where: short stacking energy: -5.461 Base-Backbone interact. energy: -0.012 local terms energy: -14.170443 where: bonds (distance) C4'-P energy: -3.947 bonds (distance) P-C4' energy: -2.845 flat angles C4'-P-C4' energy: -4.422 flat angles P-C4'-P energy: -3.594 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: 10 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -23.998586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.998586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.998586 (E_RNA) where: Base-Base interactions energy: -7.171 where: short stacking energy: -7.171 Base-Backbone interact. energy: -0.005 local terms energy: -16.822434 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.064 flat angles P-C4'-P energy: -2.707 tors. eta vs tors. theta energy: -0.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -23.539153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.539153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.539153 (E_RNA) where: Base-Base interactions energy: -7.726 where: short stacking energy: -7.726 Base-Backbone interact. energy: -0.026 local terms energy: -15.786994 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -4.252 flat angles P-C4'-P energy: -3.357 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: 3, replica: 9 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -25.566263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.566263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.566263 (E_RNA) where: Base-Base interactions energy: -9.837 where: short stacking energy: -9.837 Base-Backbone interact. energy: -0.000 local terms energy: -15.729130 where: bonds (distance) C4'-P energy: -3.158 bonds (distance) P-C4' energy: -3.321 flat angles C4'-P-C4' energy: -4.695 flat angles P-C4'-P energy: -1.417 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: 7 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -22.115560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.115560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.115560 (E_RNA) where: Base-Base interactions energy: -3.517 where: short stacking energy: -3.517 Base-Backbone interact. energy: -0.000 local terms energy: -18.598005 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.641 flat angles P-C4'-P energy: -3.862 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: 466 Temperature: 1.100000 Total energy: -26.560896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.560896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.560896 (E_RNA) where: Base-Base interactions energy: -9.734 where: short stacking energy: -9.734 Base-Backbone interact. energy: -0.000 local terms energy: -16.827380 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -2.969 flat angles C4'-P-C4' energy: -3.462 flat angles P-C4'-P energy: -3.192 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: 6, replica: 2 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -21.920254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.920254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.920254 (E_RNA) where: Base-Base interactions energy: -3.307 where: short stacking energy: -3.307 Base-Backbone interact. energy: -0.000 local terms energy: -18.613402 where: bonds (distance) C4'-P energy: -3.326 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.589 flat angles P-C4'-P energy: -3.557 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: 1 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -25.470842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.470842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.470842 (E_RNA) where: Base-Base interactions energy: -9.381 where: short stacking energy: -9.381 Base-Backbone interact. energy: -0.001 local terms energy: -16.088757 where: bonds (distance) C4'-P energy: -2.892 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.271 flat angles P-C4'-P energy: -1.125 tors. eta vs tors. theta energy: -3.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -20.767498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.767498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.767498 (E_RNA) where: Base-Base interactions energy: -2.910 where: short stacking energy: -2.910 Base-Backbone interact. energy: -0.149 local terms energy: -17.708769 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -2.842 flat angles C4'-P-C4' energy: -4.623 flat angles P-C4'-P energy: -3.758 tors. eta vs tors. theta energy: -2.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -20.584185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.584185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.584185 (E_RNA) where: Base-Base interactions energy: -7.151 where: short stacking energy: -7.151 Base-Backbone interact. energy: -0.000 local terms energy: -13.433039 where: bonds (distance) C4'-P energy: -1.216 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.692 flat angles P-C4'-P energy: -2.062 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: 8 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -22.647731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.647731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.647731 (E_RNA) where: Base-Base interactions energy: -3.544 where: short stacking energy: -3.544 Base-Backbone interact. energy: -0.000 local terms energy: -19.103678 where: bonds (distance) C4'-P energy: -4.750 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.697 flat angles P-C4'-P energy: -1.639 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: 1, replica: 10 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -32.201407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.201407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.201407 (E_RNA) where: Base-Base interactions energy: -12.303 where: short stacking energy: -12.303 Base-Backbone interact. energy: -0.000 local terms energy: -19.897978 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.820 flat angles P-C4'-P energy: -2.317 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: 9 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -27.428128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.428128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.428128 (E_RNA) where: Base-Base interactions energy: -10.349 where: short stacking energy: -10.349 Base-Backbone interact. energy: -0.001 local terms energy: -17.077775 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -2.336 flat angles P-C4'-P energy: -1.968 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: 3 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -28.510433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.510433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.510433 (E_RNA) where: Base-Base interactions energy: -11.438 where: short stacking energy: -11.438 Base-Backbone interact. energy: -0.000 local terms energy: -17.072053 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.487 flat angles P-C4'-P energy: 0.949 tors. eta vs tors. theta energy: -4.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -27.885775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.885775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.885775 (E_RNA) where: Base-Base interactions energy: -10.423 where: short stacking energy: -10.423 Base-Backbone interact. energy: -0.000 local terms energy: -17.462477 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -3.981 flat angles C4'-P-C4' energy: -4.134 flat angles P-C4'-P energy: -1.315 tors. eta vs tors. theta energy: -4.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -24.156968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.156968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.156968 (E_RNA) where: Base-Base interactions energy: -7.272 where: short stacking energy: -7.272 Base-Backbone interact. energy: -0.027 local terms energy: -16.858487 where: bonds (distance) C4'-P energy: -3.344 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.186 flat angles P-C4'-P energy: -3.348 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: 6, replica: 1 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -26.865378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.865378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.865378 (E_RNA) where: Base-Base interactions energy: -10.658 where: short stacking energy: -10.658 Base-Backbone interact. energy: -0.000 local terms energy: -16.207389 where: bonds (distance) C4'-P energy: -2.466 bonds (distance) P-C4' energy: -4.082 flat angles C4'-P-C4' energy: -4.367 flat angles P-C4'-P energy: -1.553 tors. eta vs tors. theta energy: -3.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -21.297257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.297257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.297257 (E_RNA) where: Base-Base interactions energy: -3.139 where: short stacking energy: -3.139 Base-Backbone interact. energy: -0.000 local terms energy: -18.158456 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.261 flat angles P-C4'-P energy: -2.172 tors. eta vs tors. theta energy: -3.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -22.060353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.060353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.060353 (E_RNA) where: Base-Base interactions energy: -5.570 where: short stacking energy: -5.570 Base-Backbone interact. energy: -0.000 local terms energy: -16.490846 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -3.902 flat angles P-C4'-P energy: -3.058 tors. eta vs tors. theta energy: -0.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -20.458191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.458191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.458191 (E_RNA) where: Base-Base interactions energy: -4.519 where: short stacking energy: -4.519 Base-Backbone interact. energy: -0.005 local terms energy: -15.934370 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -2.460 flat angles P-C4'-P energy: -3.051 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: 8 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -20.593593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.593593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.593593 (E_RNA) where: Base-Base interactions energy: -4.491 where: short stacking energy: -4.491 Base-Backbone interact. energy: -0.000 local terms energy: -16.102477 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -2.958 flat angles P-C4'-P energy: -2.354 tors. eta vs tors. theta energy: -1.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -25.641329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.641329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.641329 (E_RNA) where: Base-Base interactions energy: -8.367 where: short stacking energy: -8.367 Base-Backbone interact. energy: -0.000 local terms energy: -17.274600 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.987 flat angles P-C4'-P energy: -2.340 tors. eta vs tors. theta energy: -1.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -30.334971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.334971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.334971 (E_RNA) where: Base-Base interactions energy: -10.118 where: short stacking energy: -10.118 Base-Backbone interact. energy: -0.003 local terms energy: -20.214623 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.590 flat angles P-C4'-P energy: -3.123 tors. eta vs tors. theta energy: -3.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -25.144745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.144745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.144745 (E_RNA) where: Base-Base interactions energy: -7.295 where: short stacking energy: -7.295 Base-Backbone interact. energy: -0.017 local terms energy: -17.831937 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.904 flat angles P-C4'-P energy: -3.398 tors. eta vs tors. theta energy: -1.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -23.745344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.745344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.745344 (E_RNA) where: Base-Base interactions energy: -8.430 where: short stacking energy: -8.430 Base-Backbone interact. energy: -0.151 local terms energy: -15.163893 where: bonds (distance) C4'-P energy: -2.904 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -4.172 flat angles P-C4'-P energy: -3.492 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: 5, replica: 1 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -24.808701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.808701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.808701 (E_RNA) where: Base-Base interactions energy: -5.610 where: short stacking energy: -5.610 Base-Backbone interact. energy: -0.000 local terms energy: -19.198997 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -3.987 flat angles C4'-P-C4' energy: -4.089 flat angles P-C4'-P energy: -3.075 tors. eta vs tors. theta energy: -3.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -25.856391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.856391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.856391 (E_RNA) where: Base-Base interactions energy: -9.369 where: short stacking energy: -9.369 Base-Backbone interact. energy: -0.007 local terms energy: -16.480077 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -3.327 flat angles C4'-P-C4' energy: -4.186 flat angles P-C4'-P energy: -2.698 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: 6 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -19.987385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.987385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.987385 (E_RNA) where: Base-Base interactions energy: -3.466 where: short stacking energy: -3.466 Base-Backbone interact. energy: -0.041 local terms energy: -16.480466 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -3.854 flat angles P-C4'-P energy: -3.501 tors. eta vs tors. theta energy: -0.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -24.818931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.818931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.818931 (E_RNA) where: Base-Base interactions energy: -7.076 where: short stacking energy: -7.076 Base-Backbone interact. energy: -0.000 local terms energy: -17.743393 where: bonds (distance) C4'-P energy: -4.039 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -3.940 flat angles P-C4'-P energy: -2.593 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: 9, replica: 8 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -21.482615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.482615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.482615 (E_RNA) where: Base-Base interactions energy: -4.084 where: short stacking energy: -4.087 Base-Backbone interact. energy: -0.000 local terms energy: -17.398647 where: bonds (distance) C4'-P energy: -3.185 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -3.747 flat angles P-C4'-P energy: -2.599 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: 10, replica: 4 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -20.281442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.281442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.281442 (E_RNA) where: Base-Base interactions energy: -4.518 where: short stacking energy: -4.518 Base-Backbone interact. energy: -0.000 local terms energy: -15.763574 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -3.889 flat angles P-C4'-P energy: -2.458 tors. eta vs tors. theta energy: -0.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -25.451531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.451531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.451531 (E_RNA) where: Base-Base interactions energy: -7.673 where: short stacking energy: -7.673 Base-Backbone interact. energy: -0.000 local terms energy: -17.778263 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.173 flat angles P-C4'-P energy: -3.596 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: 2, replica: 5 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -29.478861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.478861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.478861 (E_RNA) where: Base-Base interactions energy: -10.420 where: short stacking energy: -10.420 Base-Backbone interact. energy: -0.000 local terms energy: -19.058431 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -4.085 flat angles C4'-P-C4' energy: -3.369 flat angles P-C4'-P energy: -3.055 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: 3, replica: 10 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -31.408777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.408777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.408777 (E_RNA) where: Base-Base interactions energy: -9.947 where: short stacking energy: -9.947 Base-Backbone interact. energy: -0.000 local terms energy: -21.461963 where: bonds (distance) C4'-P energy: -3.673 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.417 flat angles P-C4'-P energy: -3.711 tors. eta vs tors. theta energy: -4.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -22.807963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.807963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.807963 (E_RNA) where: Base-Base interactions energy: -7.290 where: short stacking energy: -7.290 Base-Backbone interact. energy: -0.926 local terms energy: -14.592332 where: bonds (distance) C4'-P energy: -2.573 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.762 flat angles P-C4'-P energy: -1.767 tors. eta vs tors. theta energy: -1.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -24.106375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.106375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.106375 (E_RNA) where: Base-Base interactions energy: -6.676 where: short stacking energy: -6.676 Base-Backbone interact. energy: -0.002 local terms energy: -17.428324 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.241 flat angles P-C4'-P energy: -2.465 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: 6, replica: 6 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -23.443293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.443293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.443293 (E_RNA) where: Base-Base interactions energy: -6.146 where: short stacking energy: -6.146 Base-Backbone interact. energy: -0.213 local terms energy: -17.084326 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.104 flat angles P-C4'-P energy: -1.247 tors. eta vs tors. theta energy: -1.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -24.193292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.193292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.193292 (E_RNA) where: Base-Base interactions energy: -7.549 where: short stacking energy: -7.549 Base-Backbone interact. energy: -0.000 local terms energy: -16.644419 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -3.615 flat angles P-C4'-P energy: -1.860 tors. eta vs tors. theta energy: -2.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -22.683433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.683433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.683433 (E_RNA) where: Base-Base interactions energy: -8.322 where: short stacking energy: -8.322 Base-Backbone interact. energy: -0.000 local terms energy: -14.361847 where: bonds (distance) C4'-P energy: -1.409 bonds (distance) P-C4' energy: -3.777 flat angles C4'-P-C4' energy: -4.592 flat angles P-C4'-P energy: -3.081 tors. eta vs tors. theta energy: -1.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -22.712586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.712586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.712586 (E_RNA) where: Base-Base interactions energy: -7.838 where: short stacking energy: -7.838 Base-Backbone interact. energy: -0.100 local terms energy: -14.774446 where: bonds (distance) C4'-P energy: -2.928 bonds (distance) P-C4' energy: -3.385 flat angles C4'-P-C4' energy: -4.313 flat angles P-C4'-P energy: -3.899 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: 4 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -22.337260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.337260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.337260 (E_RNA) where: Base-Base interactions energy: -7.696 where: short stacking energy: -7.696 Base-Backbone interact. energy: -0.004 local terms energy: -14.637100 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.631 flat angles C4'-P-C4' energy: -2.451 flat angles P-C4'-P energy: -1.063 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: 1, replica: 5 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -28.824135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.824135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.824135 (E_RNA) where: Base-Base interactions energy: -9.268 where: short stacking energy: -9.679 Base-Backbone interact. energy: -0.400 local terms energy: -19.156227 where: bonds (distance) C4'-P energy: -4.009 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.116 flat angles P-C4'-P energy: -3.362 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: 2, replica: 9 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -25.226093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.226093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.226093 (E_RNA) where: Base-Base interactions energy: -6.665 where: short stacking energy: -6.665 Base-Backbone interact. energy: -0.000 local terms energy: -18.561151 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.084 flat angles P-C4'-P energy: -3.618 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: 3, replica: 1 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -27.682757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.682757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.682757 (E_RNA) where: Base-Base interactions energy: -7.403 where: short stacking energy: -7.403 Base-Backbone interact. energy: -0.038 local terms energy: -20.241794 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.905 flat angles P-C4'-P energy: -4.012 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: 4, replica: 10 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -22.985500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.985500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.985500 (E_RNA) where: Base-Base interactions energy: -7.681 where: short stacking energy: -7.681 Base-Backbone interact. energy: -0.000 local terms energy: -15.304360 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -2.455 flat angles P-C4'-P energy: -2.101 tors. eta vs tors. theta energy: -1.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -23.978233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.978233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.978233 (E_RNA) where: Base-Base interactions energy: -6.986 where: short stacking energy: -6.986 Base-Backbone interact. energy: -0.000 local terms energy: -16.992078 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -3.941 flat angles C4'-P-C4' energy: -4.890 flat angles P-C4'-P energy: -2.625 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: 3 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -21.970046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.970046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.970046 (E_RNA) where: Base-Base interactions energy: -6.080 where: short stacking energy: -6.169 Base-Backbone interact. energy: -0.099 local terms energy: -15.790857 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -3.078 flat angles C4'-P-C4' energy: -3.024 flat angles P-C4'-P energy: -3.806 tors. eta vs tors. theta energy: -2.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -24.286330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.286330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.286330 (E_RNA) where: Base-Base interactions energy: -5.324 where: short stacking energy: -5.324 Base-Backbone interact. energy: -0.000 local terms energy: -18.962088 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -3.371 flat angles C4'-P-C4' energy: -4.676 flat angles P-C4'-P energy: -3.957 tors. eta vs tors. theta energy: -2.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -23.924975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.924975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.924975 (E_RNA) where: Base-Base interactions energy: -9.698 where: short stacking energy: -9.698 Base-Backbone interact. energy: -0.053 local terms energy: -14.174212 where: bonds (distance) C4'-P energy: -3.334 bonds (distance) P-C4' energy: -3.786 flat angles C4'-P-C4' energy: -2.835 flat angles P-C4'-P energy: -1.570 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: 9, replica: 4 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -22.146319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.146319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.146319 (E_RNA) where: Base-Base interactions energy: -7.829 where: short stacking energy: -7.829 Base-Backbone interact. energy: -0.001 local terms energy: -14.316215 where: bonds (distance) C4'-P energy: -3.301 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -1.684 flat angles P-C4'-P energy: -3.120 tors. eta vs tors. theta energy: -1.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -22.130219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.130219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.130219 (E_RNA) where: Base-Base interactions energy: -7.202 where: short stacking energy: -7.202 Base-Backbone interact. energy: -0.000 local terms energy: -14.927638 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -3.586 flat angles P-C4'-P energy: -1.389 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: 1, replica: 5 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -25.475706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.475706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.475706 (E_RNA) where: Base-Base interactions energy: -8.630 where: short stacking energy: -8.630 Base-Backbone interact. energy: -0.000 local terms energy: -16.845047 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.750 flat angles P-C4'-P energy: -2.879 tors. eta vs tors. theta energy: -2.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -29.497117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.497117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.497117 (E_RNA) where: Base-Base interactions energy: -10.973 where: short stacking energy: -10.973 Base-Backbone interact. energy: -0.000 local terms energy: -18.524288 where: bonds (distance) C4'-P energy: -4.270 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -2.687 flat angles P-C4'-P energy: -3.460 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: 9 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -26.006017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.006017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.006017 (E_RNA) where: Base-Base interactions energy: -7.760 where: short stacking energy: -7.760 Base-Backbone interact. energy: -0.000 local terms energy: -18.246092 where: bonds (distance) C4'-P energy: -3.161 bonds (distance) P-C4' energy: -5.104 flat angles C4'-P-C4' energy: -4.163 flat angles P-C4'-P energy: -3.149 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: 4, replica: 6 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -27.406811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.406811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.406811 (E_RNA) where: Base-Base interactions energy: -10.784 where: short stacking energy: -10.784 Base-Backbone interact. energy: -0.000 local terms energy: -16.622688 where: bonds (distance) C4'-P energy: -3.078 bonds (distance) P-C4' energy: -3.777 flat angles C4'-P-C4' energy: -4.375 flat angles P-C4'-P energy: -2.610 tors. eta vs tors. theta energy: -2.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -23.523294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.523294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.523294 (E_RNA) where: Base-Base interactions energy: -4.255 where: short stacking energy: -4.255 Base-Backbone interact. energy: -0.000 local terms energy: -19.268786 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.005 flat angles P-C4'-P energy: -3.532 tors. eta vs tors. theta energy: -3.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -25.043926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.043926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.043926 (E_RNA) where: Base-Base interactions energy: -7.582 where: short stacking energy: -7.582 Base-Backbone interact. energy: -0.047 local terms energy: -17.414778 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.305 flat angles P-C4'-P energy: -1.881 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: 7, replica: 3 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -22.497703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.497703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.497703 (E_RNA) where: Base-Base interactions energy: -7.122 where: short stacking energy: -7.122 Base-Backbone interact. energy: -0.016 local terms energy: -15.359668 where: bonds (distance) C4'-P energy: -2.556 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.353 flat angles P-C4'-P energy: -2.917 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: 8, replica: 4 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -19.010876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.010876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.010876 (E_RNA) where: Base-Base interactions energy: -4.503 where: short stacking energy: -4.503 Base-Backbone interact. energy: -0.012 local terms energy: -14.495925 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -3.006 flat angles P-C4'-P energy: -2.885 tors. eta vs tors. theta energy: -0.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -20.064299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.064299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.064299 (E_RNA) where: Base-Base interactions energy: -6.301 where: short stacking energy: -6.301 Base-Backbone interact. energy: -0.004 local terms energy: -13.758658 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -2.639 flat angles P-C4'-P energy: -2.659 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: 10, replica: 2 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -18.580776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.580776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.580776 (E_RNA) where: Base-Base interactions energy: -2.953 where: short stacking energy: -2.953 Base-Backbone interact. energy: -0.702 local terms energy: -14.925609 where: bonds (distance) C4'-P energy: -3.673 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.140 flat angles P-C4'-P energy: -2.621 tors. eta vs tors. theta energy: 0.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -28.734907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.734907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.734907 (E_RNA) where: Base-Base interactions energy: -10.353 where: short stacking energy: -10.353 Base-Backbone interact. energy: -0.000 local terms energy: -18.381469 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -2.856 flat angles P-C4'-P energy: -3.731 tors. eta vs tors. theta energy: -2.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -27.361210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.361210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.361210 (E_RNA) where: Base-Base interactions energy: -8.713 where: short stacking energy: -8.713 Base-Backbone interact. energy: -0.000 local terms energy: -18.647979 where: bonds (distance) C4'-P energy: -3.152 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -3.140 flat angles P-C4'-P energy: -3.833 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: 3, replica: 6 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -27.136326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.136326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.136326 (E_RNA) where: Base-Base interactions energy: -6.918 where: short stacking energy: -6.918 Base-Backbone interact. energy: -0.000 local terms energy: -20.217840 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.186 flat angles P-C4'-P energy: -3.605 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: 4, replica: 9 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -25.018770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.018770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.018770 (E_RNA) where: Base-Base interactions energy: -7.673 where: short stacking energy: -7.673 Base-Backbone interact. energy: -0.099 local terms energy: -17.246627 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.163 flat angles P-C4'-P energy: -2.961 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: 8 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -24.463239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.463239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.463239 (E_RNA) where: Base-Base interactions energy: -7.230 where: short stacking energy: -7.230 Base-Backbone interact. energy: -0.005 local terms energy: -17.227865 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.608 flat angles P-C4'-P energy: -3.073 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: 472 Temperature: 1.150000 Total energy: -20.993225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.993225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.993225 (E_RNA) where: Base-Base interactions energy: -6.620 where: short stacking energy: -6.620 Base-Backbone interact. energy: -0.084 local terms energy: -14.288719 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -1.777 flat angles P-C4'-P energy: -3.332 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: 472 Temperature: 1.200000 Total energy: -20.879474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.879474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.879474 (E_RNA) where: Base-Base interactions energy: -3.634 where: short stacking energy: -3.634 Base-Backbone interact. energy: -0.020 local terms energy: -17.226121 where: bonds (distance) C4'-P energy: -3.645 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.750 flat angles P-C4'-P energy: -3.092 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: 8, replica: 3 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -21.727992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.727992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.727992 (E_RNA) where: Base-Base interactions energy: -3.999 where: short stacking energy: -3.999 Base-Backbone interact. energy: -0.000 local terms energy: -17.728358 where: bonds (distance) C4'-P energy: -3.397 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -3.854 flat angles P-C4'-P energy: -4.079 tors. eta vs tors. theta energy: -1.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -22.427917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.427917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.427917 (E_RNA) where: Base-Base interactions energy: -7.149 where: short stacking energy: -7.149 Base-Backbone interact. energy: -0.000 local terms energy: -15.278664 where: bonds (distance) C4'-P energy: -2.954 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -3.514 flat angles P-C4'-P energy: -1.579 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: 10, replica: 7 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -19.611411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.611411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.611411 (E_RNA) where: Base-Base interactions energy: -8.925 where: short stacking energy: -8.925 Base-Backbone interact. energy: -0.000 local terms energy: -10.686494 where: bonds (distance) C4'-P energy: -1.704 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -2.343 flat angles P-C4'-P energy: -0.882 tors. eta vs tors. theta energy: -1.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -31.075195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.075195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.075195 (E_RNA) where: Base-Base interactions energy: -12.099 where: short stacking energy: -12.099 Base-Backbone interact. energy: -0.000 local terms energy: -18.975984 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.564 flat angles P-C4'-P energy: -2.328 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: 6 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -23.473152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.473152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.473152 (E_RNA) where: Base-Base interactions energy: -5.097 where: short stacking energy: -5.097 Base-Backbone interact. energy: -0.077 local terms energy: -18.298796 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.661 flat angles P-C4'-P energy: -3.680 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: 3, replica: 5 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -24.311151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.311151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.311151 (E_RNA) where: Base-Base interactions energy: -7.946 where: short stacking energy: -7.946 Base-Backbone interact. energy: -0.010 local terms energy: -16.355923 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.777 flat angles P-C4'-P energy: -2.629 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: 4, replica: 8 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -29.751085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.751085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.751085 (E_RNA) where: Base-Base interactions energy: -11.418 where: short stacking energy: -11.418 Base-Backbone interact. energy: -0.000 local terms energy: -18.333546 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -4.421 flat angles P-C4'-P energy: -3.285 tors. eta vs tors. theta energy: -2.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -21.947842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.947842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.947842 (E_RNA) where: Base-Base interactions energy: -4.741 where: short stacking energy: -6.134 Base-Backbone interact. energy: -0.079 local terms energy: -17.127978 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.051 flat angles C4'-P-C4' energy: -3.697 flat angles P-C4'-P energy: -2.858 tors. eta vs tors. theta energy: -2.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -23.310408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.310408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.310408 (E_RNA) where: Base-Base interactions energy: -7.738 where: short stacking energy: -7.738 Base-Backbone interact. energy: -0.000 local terms energy: -15.572207 where: bonds (distance) C4'-P energy: -3.479 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.233 flat angles P-C4'-P energy: -0.871 tors. eta vs tors. theta energy: -1.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -25.600110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.600110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.600110 (E_RNA) where: Base-Base interactions energy: -8.031 where: short stacking energy: -8.217 Base-Backbone interact. energy: -1.052 local terms energy: -16.516160 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.157 flat angles P-C4'-P energy: -3.362 tors. eta vs tors. theta energy: -1.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -20.972127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.972127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.972127 (E_RNA) where: Base-Base interactions energy: -4.365 where: short stacking energy: -4.365 Base-Backbone interact. energy: -0.010 local terms energy: -16.597540 where: bonds (distance) C4'-P energy: -2.387 bonds (distance) P-C4' energy: -3.815 flat angles C4'-P-C4' energy: -4.433 flat angles P-C4'-P energy: -3.568 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: 9, replica: 3 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -21.878679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.878679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.878679 (E_RNA) where: Base-Base interactions energy: -9.693 where: short stacking energy: -9.693 Base-Backbone interact. energy: -0.032 local terms energy: -12.152986 where: bonds (distance) C4'-P energy: -1.132 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.472 flat angles P-C4'-P energy: -0.388 tors. eta vs tors. theta energy: -1.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -22.024765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.024765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.024765 (E_RNA) where: Base-Base interactions energy: -8.465 where: short stacking energy: -8.465 Base-Backbone interact. energy: -0.000 local terms energy: -13.559884 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -4.413 flat angles C4'-P-C4' energy: -1.863 flat angles P-C4'-P energy: -2.974 tors. eta vs tors. theta energy: -0.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -25.456941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.456941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.456941 (E_RNA) where: Base-Base interactions energy: -7.728 where: short stacking energy: -7.728 Base-Backbone interact. energy: -0.000 local terms energy: -17.729377 where: bonds (distance) C4'-P energy: -3.546 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.377 flat angles P-C4'-P energy: -3.082 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: 2, replica: 1 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -25.706687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.706687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.706687 (E_RNA) where: Base-Base interactions energy: -7.903 where: short stacking energy: -7.903 Base-Backbone interact. energy: -0.000 local terms energy: -17.803470 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -3.711 flat angles C4'-P-C4' energy: -3.525 flat angles P-C4'-P energy: -2.819 tors. eta vs tors. theta energy: -3.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -26.563465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.563465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.563465 (E_RNA) where: Base-Base interactions energy: -9.593 where: short stacking energy: -9.593 Base-Backbone interact. energy: -0.000 local terms energy: -16.970439 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.044 flat angles C4'-P-C4' energy: -3.906 flat angles P-C4'-P energy: -2.285 tors. eta vs tors. theta energy: -2.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -22.928331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.928331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.928331 (E_RNA) where: Base-Base interactions energy: -7.088 where: short stacking energy: -7.088 Base-Backbone interact. energy: -0.067 local terms energy: -15.772812 where: bonds (distance) C4'-P energy: -3.044 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.657 flat angles P-C4'-P energy: -2.839 tors. eta vs tors. theta energy: -0.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -20.896590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.896590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.896590 (E_RNA) where: Base-Base interactions energy: -5.093 where: short stacking energy: -5.093 Base-Backbone interact. energy: 0.582 local terms energy: -16.385031 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -3.981 flat angles C4'-P-C4' energy: -3.796 flat angles P-C4'-P energy: -3.359 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: 6, replica: 9 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -27.824502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.824502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.824502 (E_RNA) where: Base-Base interactions energy: -12.000 where: short stacking energy: -12.000 Base-Backbone interact. energy: -0.000 local terms energy: -15.824887 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -2.864 flat angles C4'-P-C4' energy: -3.784 flat angles P-C4'-P energy: -1.569 tors. eta vs tors. theta energy: -3.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -21.369027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.369027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.369027 (E_RNA) where: Base-Base interactions energy: -7.395 where: short stacking energy: -7.395 Base-Backbone interact. energy: -0.000 local terms energy: -13.974206 where: bonds (distance) C4'-P energy: -0.639 bonds (distance) P-C4' energy: -3.301 flat angles C4'-P-C4' energy: -4.520 flat angles P-C4'-P energy: -2.886 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: 8, replica: 10 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -19.835704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.835704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.835704 (E_RNA) where: Base-Base interactions energy: -4.238 where: short stacking energy: -4.238 Base-Backbone interact. energy: -0.089 local terms energy: -15.508564 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.103 flat angles C4'-P-C4' energy: -4.676 flat angles P-C4'-P energy: -2.668 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: 9, replica: 7 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -20.711828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.711828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.711828 (E_RNA) where: Base-Base interactions energy: -6.076 where: short stacking energy: -6.076 Base-Backbone interact. energy: -0.011 local terms energy: -14.624432 where: bonds (distance) C4'-P energy: -1.497 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -4.162 flat angles P-C4'-P energy: -3.021 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: 10, replica: 3 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -20.275916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.275916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.275916 (E_RNA) where: Base-Base interactions energy: -5.809 where: short stacking energy: -5.828 Base-Backbone interact. energy: -0.001 local terms energy: -14.466430 where: bonds (distance) C4'-P energy: -3.317 bonds (distance) P-C4' energy: -3.885 flat angles C4'-P-C4' energy: -1.644 flat angles P-C4'-P energy: -3.368 tors. eta vs tors. theta energy: -2.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -31.405157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.405157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.405157 (E_RNA) where: Base-Base interactions energy: -10.597 where: short stacking energy: -10.597 Base-Backbone interact. energy: -0.000 local terms energy: -20.808115 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.821 flat angles P-C4'-P energy: -3.892 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: 2, replica: 8 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -30.181233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.181233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.181233 (E_RNA) where: Base-Base interactions energy: -10.306 where: short stacking energy: -10.306 Base-Backbone interact. energy: -0.000 local terms energy: -19.875243 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -3.793 flat angles C4'-P-C4' energy: -4.530 flat angles P-C4'-P energy: -3.015 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: 3, replica: 1 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -25.353029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.353029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.353029 (E_RNA) where: Base-Base interactions energy: -8.868 where: short stacking energy: -8.868 Base-Backbone interact. energy: -0.008 local terms energy: -16.477293 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -3.466 flat angles P-C4'-P energy: -3.430 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: 4, replica: 4 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -23.555546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.555546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.555546 (E_RNA) where: Base-Base interactions energy: -6.836 where: short stacking energy: -6.836 Base-Backbone interact. energy: -0.000 local terms energy: -16.719263 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.661 flat angles P-C4'-P energy: -2.570 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: 5, replica: 5 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -24.387007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.387007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.387007 (E_RNA) where: Base-Base interactions energy: -6.357 where: short stacking energy: -6.357 Base-Backbone interact. energy: -0.000 local terms energy: -18.029570 where: bonds (distance) C4'-P energy: -3.575 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.035 flat angles P-C4'-P energy: -2.251 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: 9 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -30.605679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.605679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.605679 (E_RNA) where: Base-Base interactions energy: -10.487 where: short stacking energy: -10.487 Base-Backbone interact. energy: -0.000 local terms energy: -20.118796 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.255 flat angles P-C4'-P energy: -2.990 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: 7, replica: 2 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -22.635241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.635241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.635241 (E_RNA) where: Base-Base interactions energy: -6.179 where: short stacking energy: -6.179 Base-Backbone interact. energy: -0.000 local terms energy: -16.456577 where: bonds (distance) C4'-P energy: -3.417 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.324 flat angles P-C4'-P energy: -2.887 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: 8, replica: 10 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -20.976307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.976307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.976307 (E_RNA) where: Base-Base interactions energy: -6.565 where: short stacking energy: -6.565 Base-Backbone interact. energy: -0.000 local terms energy: -14.411293 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -3.560 flat angles C4'-P-C4' energy: -2.476 flat angles P-C4'-P energy: -3.574 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: 9, replica: 7 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -22.162335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.162335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.162335 (E_RNA) where: Base-Base interactions energy: -6.891 where: short stacking energy: -6.891 Base-Backbone interact. energy: -0.000 local terms energy: -15.271014 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -1.951 flat angles P-C4'-P energy: -2.563 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: 3 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -21.720534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.720534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.720534 (E_RNA) where: Base-Base interactions energy: -8.103 where: short stacking energy: -8.384 Base-Backbone interact. energy: -0.005 local terms energy: -13.612709 where: bonds (distance) C4'-P energy: -2.540 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -2.802 flat angles P-C4'-P energy: -2.645 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: 8 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -31.273017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.273017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.273017 (E_RNA) where: Base-Base interactions energy: -10.452 where: short stacking energy: -10.452 Base-Backbone interact. energy: -0.000 local terms energy: -20.821258 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: -4.519 flat angles P-C4'-P energy: -3.752 tors. eta vs tors. theta energy: -3.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -28.397244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.397244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.397244 (E_RNA) where: Base-Base interactions energy: -9.517 where: short stacking energy: -9.517 Base-Backbone interact. energy: -0.000 local terms energy: -18.880307 where: bonds (distance) C4'-P energy: -1.852 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.500 flat angles P-C4'-P energy: -3.234 tors. eta vs tors. theta energy: -4.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -25.021337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.021337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.021337 (E_RNA) where: Base-Base interactions energy: -8.100 where: short stacking energy: -8.100 Base-Backbone interact. energy: -0.000 local terms energy: -16.921474 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.938 flat angles P-C4'-P energy: -3.172 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: 4, replica: 4 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -26.818162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.818162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.818162 (E_RNA) where: Base-Base interactions energy: -8.020 where: short stacking energy: -8.020 Base-Backbone interact. energy: -0.000 local terms energy: -18.797703 where: bonds (distance) C4'-P energy: -4.171 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.521 flat angles P-C4'-P energy: -3.794 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: 5, replica: 9 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -25.375352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.375352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.375352 (E_RNA) where: Base-Base interactions energy: -9.713 where: short stacking energy: -9.713 Base-Backbone interact. energy: -0.001 local terms energy: -15.661840 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -1.298 flat angles P-C4'-P energy: -2.228 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: 6, replica: 5 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -21.699314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.699314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.699314 (E_RNA) where: Base-Base interactions energy: -7.730 where: short stacking energy: -7.730 Base-Backbone interact. energy: -0.023 local terms energy: -13.946903 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.314 flat angles C4'-P-C4' energy: -3.957 flat angles P-C4'-P energy: -1.815 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: 7, replica: 10 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -25.811744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.811744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.811744 (E_RNA) where: Base-Base interactions energy: -6.341 where: short stacking energy: -6.341 Base-Backbone interact. energy: -0.000 local terms energy: -19.470340 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -4.958 flat angles P-C4'-P energy: -2.549 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: 8, replica: 2 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -21.228237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.228237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.228237 (E_RNA) where: Base-Base interactions energy: -6.320 where: short stacking energy: -6.320 Base-Backbone interact. energy: -0.015 local terms energy: -14.892940 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -3.608 flat angles P-C4'-P energy: -3.770 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: 3 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -24.408801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.408801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.408801 (E_RNA) where: Base-Base interactions energy: -7.468 where: short stacking energy: -7.468 Base-Backbone interact. energy: -0.001 local terms energy: -16.940251 where: bonds (distance) C4'-P energy: -2.510 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.698 flat angles P-C4'-P energy: -3.452 tors. eta vs tors. theta energy: -1.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -20.996088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.996088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.996088 (E_RNA) where: Base-Base interactions energy: -3.835 where: short stacking energy: -3.835 Base-Backbone interact. energy: -0.002 local terms energy: -17.159659 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.805 flat angles P-C4'-P energy: -3.016 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: 1, replica: 8 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -30.336076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.336076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.336076 (E_RNA) where: Base-Base interactions energy: -10.238 where: short stacking energy: -10.238 Base-Backbone interact. energy: -0.002 local terms energy: -20.096099 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.564 flat angles P-C4'-P energy: -3.626 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: 2, replica: 1 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -27.900935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.900935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.900935 (E_RNA) where: Base-Base interactions energy: -11.793 where: short stacking energy: -11.793 Base-Backbone interact. energy: -0.000 local terms energy: -16.108170 where: bonds (distance) C4'-P energy: -3.753 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.229 flat angles P-C4'-P energy: -1.510 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: 3, replica: 6 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -29.661005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.661005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.661005 (E_RNA) where: Base-Base interactions energy: -10.098 where: short stacking energy: -10.098 Base-Backbone interact. energy: -0.000 local terms energy: -19.562810 where: bonds (distance) C4'-P energy: -4.163 bonds (distance) P-C4' energy: -3.582 flat angles C4'-P-C4' energy: -3.567 flat angles P-C4'-P energy: -3.122 tors. eta vs tors. theta energy: -5.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -28.105442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.105442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.105442 (E_RNA) where: Base-Base interactions energy: -9.030 where: short stacking energy: -9.030 Base-Backbone interact. energy: -0.000 local terms energy: -19.075820 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.017 flat angles P-C4'-P energy: -3.880 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: 5, replica: 4 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -22.288808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.288808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.288808 (E_RNA) where: Base-Base interactions energy: -6.867 where: short stacking energy: -7.267 Base-Backbone interact. energy: -0.015 local terms energy: -15.406665 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -2.475 flat angles P-C4'-P energy: -2.399 tors. eta vs tors. theta energy: -1.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -24.220865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.220865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.220865 (E_RNA) where: Base-Base interactions energy: -4.520 where: short stacking energy: -4.520 Base-Backbone interact. energy: -0.000 local terms energy: -19.700779 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -4.712 flat angles P-C4'-P energy: -2.236 tors. eta vs tors. theta energy: -4.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -24.698803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.698803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.698803 (E_RNA) where: Base-Base interactions energy: -9.020 where: short stacking energy: -9.020 Base-Backbone interact. energy: -0.000 local terms energy: -15.679169 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -3.793 flat angles C4'-P-C4' energy: -1.184 flat angles P-C4'-P energy: -2.414 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: 8, replica: 3 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -23.675100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.675100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.675100 (E_RNA) where: Base-Base interactions energy: -7.197 where: short stacking energy: -7.197 Base-Backbone interact. energy: -0.013 local terms energy: -16.465221 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.098 flat angles P-C4'-P energy: -3.075 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: 9, replica: 2 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -21.404220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.404220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.404220 (E_RNA) where: Base-Base interactions energy: -7.431 where: short stacking energy: -7.431 Base-Backbone interact. energy: -0.000 local terms energy: -13.972952 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -1.203 flat angles P-C4'-P energy: -2.276 tors. eta vs tors. theta energy: -1.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -18.997201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.997201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.997201 (E_RNA) where: Base-Base interactions energy: -3.539 where: short stacking energy: -3.539 Base-Backbone interact. energy: -0.006 local terms energy: -15.451855 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.254 flat angles P-C4'-P energy: -3.169 tors. eta vs tors. theta energy: -0.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -31.570909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.570909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.570909 (E_RNA) where: Base-Base interactions energy: -11.622 where: short stacking energy: -11.622 Base-Backbone interact. energy: -0.002 local terms energy: -19.947777 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.602 flat angles P-C4'-P energy: -3.816 tors. eta vs tors. theta energy: -3.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -29.098889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.098889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.098889 (E_RNA) where: Base-Base interactions energy: -9.022 where: short stacking energy: -9.022 Base-Backbone interact. energy: -0.000 local terms energy: -20.076921 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.115 flat angles P-C4'-P energy: -3.612 tors. eta vs tors. theta energy: -3.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -25.077156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.077156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.077156 (E_RNA) where: Base-Base interactions energy: -8.395 where: short stacking energy: -8.395 Base-Backbone interact. energy: -0.129 local terms energy: -16.553449 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -4.256 flat angles P-C4'-P energy: -2.010 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: 4, replica: 6 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -25.516284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.516284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.516284 (E_RNA) where: Base-Base interactions energy: -8.337 where: short stacking energy: -8.337 Base-Backbone interact. energy: -0.009 local terms energy: -17.170559 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.678 flat angles C4'-P-C4' energy: -2.865 flat angles P-C4'-P energy: -3.449 tors. eta vs tors. theta energy: -1.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -24.658692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.658692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.658692 (E_RNA) where: Base-Base interactions energy: -7.575 where: short stacking energy: -7.575 Base-Backbone interact. energy: -0.000 local terms energy: -17.083384 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -3.578 flat angles C4'-P-C4' energy: -3.894 flat angles P-C4'-P energy: -3.843 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: 6, replica: 4 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -24.392367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.392367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.392367 (E_RNA) where: Base-Base interactions energy: -6.643 where: short stacking energy: -6.643 Base-Backbone interact. energy: -0.002 local terms energy: -17.747355 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.238 flat angles P-C4'-P energy: -2.510 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: 7, replica: 3 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -25.355389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.355389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.355389 (E_RNA) where: Base-Base interactions energy: -10.261 where: short stacking energy: -10.261 Base-Backbone interact. energy: -0.000 local terms energy: -15.094547 where: bonds (distance) C4'-P energy: -3.583 bonds (distance) P-C4' energy: -0.345 flat angles C4'-P-C4' energy: -4.604 flat angles P-C4'-P energy: -2.913 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: 8, replica: 5 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -20.631887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.631887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.631887 (E_RNA) where: Base-Base interactions energy: -2.908 where: short stacking energy: -2.908 Base-Backbone interact. energy: -0.091 local terms energy: -17.632846 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -3.995 flat angles P-C4'-P energy: -3.948 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: 9, replica: 7 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -20.685193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.685193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.685193 (E_RNA) where: Base-Base interactions energy: -5.635 where: short stacking energy: -5.635 Base-Backbone interact. energy: -0.000 local terms energy: -15.050511 where: bonds (distance) C4'-P energy: -4.750 bonds (distance) P-C4' energy: -2.361 flat angles C4'-P-C4' energy: -3.781 flat angles P-C4'-P energy: -2.016 tors. eta vs tors. theta energy: -2.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -18.938353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.938353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.938353 (E_RNA) where: Base-Base interactions energy: -2.311 where: short stacking energy: -2.311 Base-Backbone interact. energy: -0.000 local terms energy: -16.627240 where: bonds (distance) C4'-P energy: -3.861 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.025 flat angles P-C4'-P energy: -3.884 tors. eta vs tors. theta energy: 0.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -31.816378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.816378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.816378 (E_RNA) where: Base-Base interactions energy: -11.618 where: short stacking energy: -11.618 Base-Backbone interact. energy: -0.001 local terms energy: -20.198117 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -3.189 flat angles P-C4'-P energy: -3.767 tors. eta vs tors. theta energy: -3.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -29.121111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.121111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.121111 (E_RNA) where: Base-Base interactions energy: -11.815 where: short stacking energy: -11.815 Base-Backbone interact. energy: -0.000 local terms energy: -17.306329 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -2.644 flat angles P-C4'-P energy: -2.421 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: 3, replica: 1 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -27.772394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.772394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.772394 (E_RNA) where: Base-Base interactions energy: -10.273 where: short stacking energy: -10.273 Base-Backbone interact. energy: -0.017 local terms energy: -17.482243 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.364 flat angles P-C4'-P energy: -2.580 tors. eta vs tors. theta energy: -1.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -25.427315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.427315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.427315 (E_RNA) where: Base-Base interactions energy: -7.653 where: short stacking energy: -7.653 Base-Backbone interact. energy: -0.006 local terms energy: -17.768189 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.676 flat angles P-C4'-P energy: -2.507 tors. eta vs tors. theta energy: -1.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -21.452749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.452749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.452749 (E_RNA) where: Base-Base interactions energy: -7.142 where: short stacking energy: -7.142 Base-Backbone interact. energy: -0.017 local terms energy: -14.294097 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.028 flat angles P-C4'-P energy: -2.296 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: 6, replica: 3 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -20.236685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.236685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.236685 (E_RNA) where: Base-Base interactions energy: -4.505 where: short stacking energy: -4.034 Base-Backbone interact. energy: -0.066 local terms energy: -15.666225 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.750 flat angles P-C4'-P energy: -3.371 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: 7, replica: 4 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -21.856528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.856528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.856528 (E_RNA) where: Base-Base interactions energy: -2.996 where: short stacking energy: -2.996 Base-Backbone interact. energy: -0.000 local terms energy: -18.860964 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.726 flat angles P-C4'-P energy: -2.654 tors. eta vs tors. theta energy: -2.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -20.244348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.244348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.244348 (E_RNA) where: Base-Base interactions energy: -3.778 where: short stacking energy: -3.825 Base-Backbone interact. energy: -0.081 local terms energy: -16.385619 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.211 flat angles P-C4'-P energy: -3.843 tors. eta vs tors. theta energy: 0.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -21.800193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.800193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.800193 (E_RNA) where: Base-Base interactions energy: -2.880 where: short stacking energy: -2.880 Base-Backbone interact. energy: -0.000 local terms energy: -18.920491 where: bonds (distance) C4'-P energy: -3.185 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.433 flat angles P-C4'-P energy: -4.006 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: 2 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -21.155155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.155155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.155155 (E_RNA) where: Base-Base interactions energy: -4.916 where: short stacking energy: -4.916 Base-Backbone interact. energy: -0.000 local terms energy: -16.239243 where: bonds (distance) C4'-P energy: -2.510 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.786 flat angles P-C4'-P energy: -3.522 tors. eta vs tors. theta energy: -1.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -31.902951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.902951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.902951 (E_RNA) where: Base-Base interactions energy: -12.456 where: short stacking energy: -12.456 Base-Backbone interact. energy: -0.009 local terms energy: -19.437628 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.345 flat angles P-C4'-P energy: -1.874 tors. eta vs tors. theta energy: -3.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -32.563015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.563015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.563015 (E_RNA) where: Base-Base interactions energy: -11.155 where: short stacking energy: -11.155 Base-Backbone interact. energy: -0.000 local terms energy: -21.408501 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.461 flat angles P-C4'-P energy: -2.828 tors. eta vs tors. theta energy: -5.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -30.230241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.230241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.230241 (E_RNA) where: Base-Base interactions energy: -10.415 where: short stacking energy: -10.415 Base-Backbone interact. energy: -0.000 local terms energy: -19.815543 where: bonds (distance) C4'-P energy: -2.452 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.607 flat angles P-C4'-P energy: -3.873 tors. eta vs tors. theta energy: -4.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 480 Temperature: 1.050000 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: -7.744 where: short stacking energy: -7.744 Base-Backbone interact. energy: -0.010 local terms energy: -16.711733 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.992 flat angles P-C4'-P energy: -2.720 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: 3 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -26.469842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.469842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.469842 (E_RNA) where: Base-Base interactions energy: -12.124 where: short stacking energy: -12.124 Base-Backbone interact. energy: -0.002 local terms energy: -14.343366 where: bonds (distance) C4'-P energy: -4.303 bonds (distance) P-C4' energy: -2.680 flat angles C4'-P-C4' energy: -3.743 flat angles P-C4'-P energy: -1.173 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: 6, replica: 6 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -22.316490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.316490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.316490 (E_RNA) where: Base-Base interactions energy: -7.312 where: short stacking energy: -7.312 Base-Backbone interact. energy: -0.006 local terms energy: -14.998662 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -2.843 flat angles P-C4'-P energy: -2.147 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: 4 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -28.569690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.569690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.569690 (E_RNA) where: Base-Base interactions energy: -8.664 where: short stacking energy: -8.664 Base-Backbone interact. energy: -0.000 local terms energy: -19.905283 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.098 flat angles P-C4'-P energy: -3.106 tors. eta vs tors. theta energy: -2.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -22.573242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.573242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.573242 (E_RNA) where: Base-Base interactions energy: -7.326 where: short stacking energy: -7.326 Base-Backbone interact. energy: -0.000 local terms energy: -15.247533 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.307 flat angles P-C4'-P energy: -0.400 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: 2 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -21.898401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.898401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.898401 (E_RNA) where: Base-Base interactions energy: -6.888 where: short stacking energy: -6.888 Base-Backbone interact. energy: -0.786 local terms energy: -14.224322 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -3.981 flat angles C4'-P-C4' energy: -2.966 flat angles P-C4'-P energy: -3.751 tors. eta vs tors. theta energy: 0.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -20.115780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.115780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.115780 (E_RNA) where: Base-Base interactions energy: -5.242 where: short stacking energy: -5.242 Base-Backbone interact. energy: -0.003 local terms energy: -14.870371 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.237 flat angles P-C4'-P energy: -1.893 tors. eta vs tors. theta energy: -0.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -22.895847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.895847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.895847 (E_RNA) where: Base-Base interactions energy: -8.193 where: short stacking energy: -8.193 Base-Backbone interact. energy: -0.001 local terms energy: -14.701873 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.763 flat angles P-C4'-P energy: -2.275 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: 2, replica: 10 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -23.904752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.904752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.904752 (E_RNA) where: Base-Base interactions energy: -7.442 where: short stacking energy: -7.442 Base-Backbone interact. energy: -0.035 local terms energy: -16.427600 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.008 flat angles P-C4'-P energy: -2.544 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: 3, replica: 8 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -25.510857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.510857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.510857 (E_RNA) where: Base-Base interactions energy: -7.722 where: short stacking energy: -7.722 Base-Backbone interact. energy: -0.000 local terms energy: -17.788465 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.063 flat angles P-C4'-P energy: -1.604 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: 4, replica: 3 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -23.853786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.853786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.853786 (E_RNA) where: Base-Base interactions energy: -5.365 where: short stacking energy: -5.365 Base-Backbone interact. energy: -0.000 local terms energy: -18.488353 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.502 flat angles P-C4'-P energy: -3.984 tors. eta vs tors. theta energy: -1.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -25.834050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.834050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.834050 (E_RNA) where: Base-Base interactions energy: -8.200 where: short stacking energy: -8.200 Base-Backbone interact. energy: -0.003 local terms energy: -17.631608 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -1.560 flat angles P-C4'-P energy: -2.856 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: 6, replica: 4 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -22.141124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.141124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.141124 (E_RNA) where: Base-Base interactions energy: -6.367 where: short stacking energy: -6.367 Base-Backbone interact. energy: -0.007 local terms energy: -15.766407 where: bonds (distance) C4'-P energy: -3.061 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -2.612 flat angles P-C4'-P energy: -2.400 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: 7, replica: 6 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -24.591055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.591055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.591055 (E_RNA) where: Base-Base interactions energy: -4.965 where: short stacking energy: -4.965 Base-Backbone interact. energy: -0.000 local terms energy: -19.626352 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.907 flat angles P-C4'-P energy: -3.174 tors. eta vs tors. theta energy: -2.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -20.254691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.254691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.254691 (E_RNA) where: Base-Base interactions energy: -3.210 where: short stacking energy: -3.210 Base-Backbone interact. energy: -0.021 local terms energy: -17.023667 where: bonds (distance) C4'-P energy: -2.796 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.032 flat angles P-C4'-P energy: -3.275 tors. eta vs tors. theta energy: -1.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -22.628993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.628993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.628993 (E_RNA) where: Base-Base interactions energy: -5.354 where: short stacking energy: -5.354 Base-Backbone interact. energy: -0.000 local terms energy: -17.275123 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.666 flat angles P-C4'-P energy: -3.835 tors. eta vs tors. theta energy: 0.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -21.580949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.580949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.580949 (E_RNA) where: Base-Base interactions energy: -3.749 where: short stacking energy: -3.749 Base-Backbone interact. energy: -0.000 local terms energy: -17.832029 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.367 flat angles C4'-P-C4' energy: -3.606 flat angles P-C4'-P energy: -3.306 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: 1, replica: 10 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -26.663261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.663261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.663261 (E_RNA) where: Base-Base interactions energy: -8.349 where: short stacking energy: -8.349 Base-Backbone interact. energy: -0.000 local terms energy: -18.313672 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.221 flat angles P-C4'-P energy: -2.959 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: 2, replica: 9 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -26.634060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.634060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.634060 (E_RNA) where: Base-Base interactions energy: -6.916 where: short stacking energy: -6.916 Base-Backbone interact. energy: -0.003 local terms energy: -19.715441 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.839 flat angles P-C4'-P energy: -3.075 tors. eta vs tors. theta energy: -3.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -27.251971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.251971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.251971 (E_RNA) where: Base-Base interactions energy: -8.297 where: short stacking energy: -8.297 Base-Backbone interact. energy: -0.001 local terms energy: -18.954167 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.699 flat angles P-C4'-P energy: -3.796 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: 4, replica: 8 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -25.901611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.901611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.901611 (E_RNA) where: Base-Base interactions energy: -7.206 where: short stacking energy: -7.206 Base-Backbone interact. energy: -0.000 local terms energy: -18.695832 where: bonds (distance) C4'-P energy: -3.406 bonds (distance) P-C4' energy: -4.342 flat angles C4'-P-C4' energy: -3.656 flat angles P-C4'-P energy: -3.522 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: 5, replica: 4 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -29.636149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.636149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.636149 (E_RNA) where: Base-Base interactions energy: -10.526 where: short stacking energy: -10.526 Base-Backbone interact. energy: -0.000 local terms energy: -19.110168 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -3.552 flat angles P-C4'-P energy: -3.787 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: 1 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -25.278885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.278885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.278885 (E_RNA) where: Base-Base interactions energy: -6.470 where: short stacking energy: -6.470 Base-Backbone interact. energy: -0.000 local terms energy: -18.808776 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.154 flat angles P-C4'-P energy: -2.822 tors. eta vs tors. theta energy: -2.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -24.028431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.028431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.028431 (E_RNA) where: Base-Base interactions energy: -7.857 where: short stacking energy: -7.857 Base-Backbone interact. energy: -0.001 local terms energy: -16.170550 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.770 flat angles P-C4'-P energy: -1.741 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: 6 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -21.601876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.601876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.601876 (E_RNA) where: Base-Base interactions energy: -6.495 where: short stacking energy: -6.495 Base-Backbone interact. energy: -0.000 local terms energy: -15.106413 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -3.131 flat angles C4'-P-C4' energy: -3.287 flat angles P-C4'-P energy: -2.971 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: 5 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -25.255996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.255996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.255996 (E_RNA) where: Base-Base interactions energy: -7.639 where: short stacking energy: -7.639 Base-Backbone interact. energy: -0.762 local terms energy: -16.854843 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.195 flat angles P-C4'-P energy: -2.280 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: 10, replica: 7 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -19.116429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.116429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.116429 (E_RNA) where: Base-Base interactions energy: -2.810 where: short stacking energy: -2.810 Base-Backbone interact. energy: -0.057 local terms energy: -16.249571 where: bonds (distance) C4'-P energy: -4.055 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.871 flat angles P-C4'-P energy: -1.923 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: 1, replica: 10 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -28.057331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.057331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.057331 (E_RNA) where: Base-Base interactions energy: -10.779 where: short stacking energy: -10.779 Base-Backbone interact. energy: -0.031 local terms energy: -17.247927 where: bonds (distance) C4'-P energy: -3.301 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.792 flat angles P-C4'-P energy: -3.330 tors. eta vs tors. theta energy: -1.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -26.757796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.757796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.757796 (E_RNA) where: Base-Base interactions energy: -7.676 where: short stacking energy: -7.676 Base-Backbone interact. energy: -0.000 local terms energy: -19.082226 where: bonds (distance) C4'-P energy: -3.699 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.555 flat angles P-C4'-P energy: -1.796 tors. eta vs tors. theta energy: -3.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -25.450057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.450057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.450057 (E_RNA) where: Base-Base interactions energy: -10.620 where: short stacking energy: -10.620 Base-Backbone interact. energy: -0.058 local terms energy: -14.771940 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -3.544 flat angles C4'-P-C4' energy: -2.157 flat angles P-C4'-P energy: -3.729 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: 4, replica: 4 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -22.083274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.083274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.083274 (E_RNA) where: Base-Base interactions energy: -6.300 where: short stacking energy: -6.300 Base-Backbone interact. energy: -0.001 local terms energy: -15.782163 where: bonds (distance) C4'-P energy: -1.960 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.657 flat angles P-C4'-P energy: -1.990 tors. eta vs tors. theta energy: -2.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -23.616364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.616364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.616364 (E_RNA) where: Base-Base interactions energy: -9.517 where: short stacking energy: -9.517 Base-Backbone interact. energy: -0.099 local terms energy: -14.000655 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -3.786 flat angles C4'-P-C4' energy: -4.613 flat angles P-C4'-P energy: -0.344 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: 6, replica: 2 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -25.499038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.499038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.499038 (E_RNA) where: Base-Base interactions energy: -7.145 where: short stacking energy: -7.145 Base-Backbone interact. energy: -0.000 local terms energy: -18.353913 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.326 flat angles P-C4'-P energy: -1.598 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: 7, replica: 1 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -24.317512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.317512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.317512 (E_RNA) where: Base-Base interactions energy: -7.312 where: short stacking energy: -7.312 Base-Backbone interact. energy: -0.000 local terms energy: -17.005939 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.346 flat angles P-C4'-P energy: -2.734 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: 8, replica: 5 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -20.139149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.139149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.139149 (E_RNA) where: Base-Base interactions energy: -5.325 where: short stacking energy: -5.325 Base-Backbone interact. energy: -0.090 local terms energy: -14.724758 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -4.095 flat angles P-C4'-P energy: -3.058 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: 483 Temperature: 1.300000 Total energy: -20.557585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.557585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.557585 (E_RNA) where: Base-Base interactions energy: -7.902 where: short stacking energy: -7.902 Base-Backbone interact. energy: -0.000 local terms energy: -12.654897 where: bonds (distance) C4'-P energy: -2.121 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.118 flat angles P-C4'-P energy: -1.431 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: 7 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -22.881844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.881844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.881844 (E_RNA) where: Base-Base interactions energy: -8.649 where: short stacking energy: -8.649 Base-Backbone interact. energy: -0.093 local terms energy: -14.140174 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -2.232 flat angles P-C4'-P energy: -3.204 tors. eta vs tors. theta energy: -0.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -29.092144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.092144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.092144 (E_RNA) where: Base-Base interactions energy: -11.744 where: short stacking energy: -11.744 Base-Backbone interact. energy: -0.000 local terms energy: -17.348370 where: bonds (distance) C4'-P energy: -3.036 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -4.172 flat angles P-C4'-P energy: -2.539 tors. eta vs tors. theta energy: -2.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -25.483189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.483189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.483189 (E_RNA) where: Base-Base interactions energy: -7.880 where: short stacking energy: -7.880 Base-Backbone interact. energy: -0.004 local terms energy: -17.598958 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -3.299 flat angles P-C4'-P energy: -3.014 tors. eta vs tors. theta energy: -2.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -22.526155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.526155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.526155 (E_RNA) where: Base-Base interactions energy: -8.085 where: short stacking energy: -8.085 Base-Backbone interact. energy: -0.280 local terms energy: -14.160444 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -3.199 flat angles P-C4'-P energy: -2.394 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: 4, replica: 9 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -21.774613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.774613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.774613 (E_RNA) where: Base-Base interactions energy: -5.417 where: short stacking energy: -5.729 Base-Backbone interact. energy: -0.018 local terms energy: -16.339905 where: bonds (distance) C4'-P energy: -4.125 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -3.907 flat angles P-C4'-P energy: -2.676 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: 5, replica: 2 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -23.555095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.555095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.555095 (E_RNA) where: Base-Base interactions energy: -3.272 where: short stacking energy: -3.882 Base-Backbone interact. energy: -0.082 local terms energy: -20.201352 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.663 flat angles P-C4'-P energy: -3.228 tors. eta vs tors. theta energy: -2.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -23.829245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.829245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.829245 (E_RNA) where: Base-Base interactions energy: -7.164 where: short stacking energy: -7.164 Base-Backbone interact. energy: -0.068 local terms energy: -16.596824 where: bonds (distance) C4'-P energy: -3.318 bonds (distance) P-C4' energy: -4.044 flat angles C4'-P-C4' energy: -4.345 flat angles P-C4'-P energy: -3.617 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: 484 Temperature: 1.200000 Total energy: -24.313589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.313589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.313589 (E_RNA) where: Base-Base interactions energy: -8.050 where: short stacking energy: -8.050 Base-Backbone interact. energy: -0.000 local terms energy: -16.263635 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -3.229 flat angles P-C4'-P energy: -1.323 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: 8, replica: 1 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -19.969977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.969977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.969977 (E_RNA) where: Base-Base interactions energy: -5.505 where: short stacking energy: -4.347 Base-Backbone interact. energy: -0.033 local terms energy: -14.432398 where: bonds (distance) C4'-P energy: -3.268 bonds (distance) P-C4' energy: -3.723 flat angles C4'-P-C4' energy: -3.162 flat angles P-C4'-P energy: -3.434 tors. eta vs tors. theta energy: -0.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -21.503467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.503467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.503467 (E_RNA) where: Base-Base interactions energy: -4.786 where: short stacking energy: -4.786 Base-Backbone interact. energy: -0.000 local terms energy: -16.717718 where: bonds (distance) C4'-P energy: -4.001 bonds (distance) P-C4' energy: -4.053 flat angles C4'-P-C4' energy: -3.570 flat angles P-C4'-P energy: -3.673 tors. eta vs tors. theta energy: -1.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -21.927555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.927555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.927555 (E_RNA) where: Base-Base interactions energy: -4.385 where: short stacking energy: -4.342 Base-Backbone interact. energy: -0.002 local terms energy: -17.540358 where: bonds (distance) C4'-P energy: -3.889 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.536 flat angles P-C4'-P energy: -2.213 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: 1, replica: 3 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -29.322293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.322293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.322293 (E_RNA) where: Base-Base interactions energy: -10.400 where: short stacking energy: -10.400 Base-Backbone interact. energy: -0.056 local terms energy: -18.866579 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.346 flat angles P-C4'-P energy: -3.586 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: 2, replica: 4 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -25.880186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.880186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.880186 (E_RNA) where: Base-Base interactions energy: -7.936 where: short stacking energy: -7.936 Base-Backbone interact. energy: -0.000 local terms energy: -17.944601 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -3.532 flat angles C4'-P-C4' energy: -4.801 flat angles P-C4'-P energy: -2.676 tors. eta vs tors. theta energy: -2.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -28.973666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.973666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.973666 (E_RNA) where: Base-Base interactions energy: -11.451 where: short stacking energy: -11.451 Base-Backbone interact. energy: -0.000 local terms energy: -17.522725 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.039 flat angles P-C4'-P energy: -2.886 tors. eta vs tors. theta energy: -2.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -23.296553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.296553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.296553 (E_RNA) where: Base-Base interactions energy: -8.119 where: short stacking energy: -8.119 Base-Backbone interact. energy: -0.090 local terms energy: -15.086948 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -2.519 flat angles P-C4'-P energy: -2.397 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: 5, replica: 9 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -26.446713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.446713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.446713 (E_RNA) where: Base-Base interactions energy: -10.881 where: short stacking energy: -10.881 Base-Backbone interact. energy: -0.000 local terms energy: -15.565771 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.314 flat angles C4'-P-C4' energy: -1.282 flat angles P-C4'-P energy: -2.673 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: 6, replica: 5 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -20.702247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.702247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.702247 (E_RNA) where: Base-Base interactions energy: -5.132 where: short stacking energy: -6.377 Base-Backbone interact. energy: -0.022 local terms energy: -15.547877 where: bonds (distance) C4'-P energy: -2.680 bonds (distance) P-C4' energy: -5.100 flat angles C4'-P-C4' energy: -3.622 flat angles P-C4'-P energy: -3.588 tors. eta vs tors. theta energy: -0.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -21.637158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.637158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.637158 (E_RNA) where: Base-Base interactions energy: -3.700 where: short stacking energy: -3.700 Base-Backbone interact. energy: -0.000 local terms energy: -17.937003 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.923 flat angles P-C4'-P energy: -2.829 tors. eta vs tors. theta energy: -2.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -21.136616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.136616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.136616 (E_RNA) where: Base-Base interactions energy: -7.253 where: short stacking energy: -7.253 Base-Backbone interact. energy: -0.089 local terms energy: -13.794211 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -2.391 flat angles P-C4'-P energy: -2.774 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: 9, replica: 1 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -22.598001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.598001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.598001 (E_RNA) where: Base-Base interactions energy: -6.229 where: short stacking energy: -6.229 Base-Backbone interact. energy: -0.000 local terms energy: -16.369476 where: bonds (distance) C4'-P energy: -1.632 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.314 flat angles P-C4'-P energy: -2.579 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: 10, replica: 6 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -22.847820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.847820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.847820 (E_RNA) where: Base-Base interactions energy: -5.979 where: short stacking energy: -5.979 Base-Backbone interact. energy: -0.000 local terms energy: -16.868757 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -3.650 flat angles P-C4'-P energy: -3.122 tors. eta vs tors. theta energy: -1.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -26.109401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.109401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.109401 (E_RNA) where: Base-Base interactions energy: -7.152 where: short stacking energy: -7.152 Base-Backbone interact. energy: -0.000 local terms energy: -18.957361 where: bonds (distance) C4'-P energy: -3.645 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.366 flat angles P-C4'-P energy: -2.889 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: 2, replica: 4 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -26.366786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.366786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.366786 (E_RNA) where: Base-Base interactions energy: -10.484 where: short stacking energy: -10.484 Base-Backbone interact. energy: -0.000 local terms energy: -15.882260 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -4.510 flat angles P-C4'-P energy: -3.630 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: 3, replica: 2 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -29.033031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.033031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.033031 (E_RNA) where: Base-Base interactions energy: -11.150 where: short stacking energy: -11.150 Base-Backbone interact. energy: -0.032 local terms energy: -17.850158 where: bonds (distance) C4'-P energy: -3.773 bonds (distance) P-C4' energy: -3.523 flat angles C4'-P-C4' energy: -3.957 flat angles P-C4'-P energy: -3.873 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: 4, replica: 10 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -30.888272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.888272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.888272 (E_RNA) where: Base-Base interactions energy: -11.157 where: short stacking energy: -11.157 Base-Backbone interact. energy: -0.000 local terms energy: -19.731357 where: bonds (distance) C4'-P energy: -3.442 bonds (distance) P-C4' energy: -4.205 flat angles C4'-P-C4' energy: -4.640 flat angles P-C4'-P energy: -2.977 tors. eta vs tors. theta energy: -4.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -25.216115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.216115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.216115 (E_RNA) where: Base-Base interactions energy: -6.447 where: short stacking energy: -6.447 Base-Backbone interact. energy: -0.001 local terms energy: -18.768496 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -3.478 flat angles P-C4'-P energy: -3.835 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: 6, replica: 9 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -20.180347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.180347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.180347 (E_RNA) where: Base-Base interactions energy: -4.135 where: short stacking energy: -4.135 Base-Backbone interact. energy: -0.000 local terms energy: -16.045528 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -3.034 flat angles P-C4'-P energy: -2.657 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: 7, replica: 7 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -22.037835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.037835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.037835 (E_RNA) where: Base-Base interactions energy: -7.880 where: short stacking energy: -7.880 Base-Backbone interact. energy: -0.000 local terms energy: -14.157207 where: bonds (distance) C4'-P energy: -3.053 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -3.852 flat angles P-C4'-P energy: -2.448 tors. eta vs tors. theta energy: -0.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -18.853496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -18.853496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -18.853496 (E_RNA) where: Base-Base interactions energy: -4.171 where: short stacking energy: -4.171 Base-Backbone interact. energy: -0.000 local terms energy: -14.682197 where: bonds (distance) C4'-P energy: -4.332 bonds (distance) P-C4' energy: -3.110 flat angles C4'-P-C4' energy: -3.622 flat angles P-C4'-P energy: -2.765 tors. eta vs tors. theta energy: -0.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -21.978433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.978433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.978433 (E_RNA) where: Base-Base interactions energy: -6.573 where: short stacking energy: -6.573 Base-Backbone interact. energy: -0.001 local terms energy: -15.404255 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -3.578 flat angles C4'-P-C4' energy: -2.535 flat angles P-C4'-P energy: -2.554 tors. eta vs tors. theta energy: -2.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -23.584449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.584449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.584449 (E_RNA) where: Base-Base interactions energy: -7.221 where: short stacking energy: -7.221 Base-Backbone interact. energy: -0.002 local terms energy: -16.361267 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.889 flat angles P-C4'-P energy: -2.779 tors. eta vs tors. theta energy: -0.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -23.925155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.925155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.925155 (E_RNA) where: Base-Base interactions energy: -7.528 where: short stacking energy: -7.528 Base-Backbone interact. energy: -0.004 local terms energy: -16.393698 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -3.582 flat angles C4'-P-C4' energy: -4.574 flat angles P-C4'-P energy: -3.205 tors. eta vs tors. theta energy: -0.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -28.123763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.123763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.123763 (E_RNA) where: Base-Base interactions energy: -11.313 where: short stacking energy: -11.313 Base-Backbone interact. energy: -0.000 local terms energy: -16.810373 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -3.984 flat angles C4'-P-C4' energy: -3.820 flat angles P-C4'-P energy: -2.873 tors. eta vs tors. theta energy: -1.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -22.363258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.363258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.363258 (E_RNA) where: Base-Base interactions energy: -5.331 where: short stacking energy: -5.331 Base-Backbone interact. energy: -0.068 local terms energy: -16.964450 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.832 flat angles C4'-P-C4' energy: -4.540 flat angles P-C4'-P energy: -1.791 tors. eta vs tors. theta energy: -1.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -22.516935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.516935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.516935 (E_RNA) where: Base-Base interactions energy: -6.360 where: short stacking energy: -6.360 Base-Backbone interact. energy: -0.000 local terms energy: -16.157095 where: bonds (distance) C4'-P energy: -3.558 bonds (distance) P-C4' energy: -4.106 flat angles C4'-P-C4' energy: -4.413 flat angles P-C4'-P energy: -3.008 tors. eta vs tors. theta energy: -1.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -24.482065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.482065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.482065 (E_RNA) where: Base-Base interactions energy: -7.422 where: short stacking energy: -7.422 Base-Backbone interact. energy: -0.016 local terms energy: -17.044061 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -3.828 flat angles P-C4'-P energy: -3.673 tors. eta vs tors. theta energy: -0.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -20.829829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.829829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.829829 (E_RNA) where: Base-Base interactions energy: -4.431 where: short stacking energy: -4.431 Base-Backbone interact. energy: -0.000 local terms energy: -16.398551 where: bonds (distance) C4'-P energy: -3.070 bonds (distance) P-C4' energy: -3.658 flat angles C4'-P-C4' energy: -4.070 flat angles P-C4'-P energy: -3.137 tors. eta vs tors. theta energy: -2.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -23.872847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.872847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.872847 (E_RNA) where: Base-Base interactions energy: -6.631 where: short stacking energy: -6.631 Base-Backbone interact. energy: -0.019 local terms energy: -17.223002 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.456 flat angles P-C4'-P energy: -1.161 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: 8, replica: 6 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -23.458008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.458008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.458008 (E_RNA) where: Base-Base interactions energy: -8.323 where: short stacking energy: -8.323 Base-Backbone interact. energy: -0.036 local terms energy: -15.098629 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -2.596 flat angles P-C4'-P energy: -2.520 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: 9, replica: 8 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -25.580793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.580793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.580793 (E_RNA) where: Base-Base interactions energy: -5.831 where: short stacking energy: -5.831 Base-Backbone interact. energy: -0.000 local terms energy: -19.750014 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -3.517 flat angles P-C4'-P energy: -1.898 tors. eta vs tors. theta energy: -4.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -25.349879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.349879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.349879 (E_RNA) where: Base-Base interactions energy: -6.190 where: short stacking energy: -6.190 Base-Backbone interact. energy: -0.000 local terms energy: -19.160242 where: bonds (distance) C4'-P energy: -2.962 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -4.437 flat angles P-C4'-P energy: -3.605 tors. eta vs tors. theta energy: -3.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -27.047221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.047221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.047221 (E_RNA) where: Base-Base interactions energy: -7.620 where: short stacking energy: -7.620 Base-Backbone interact. energy: -0.722 local terms energy: -18.705750 where: bonds (distance) C4'-P energy: -3.897 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.664 flat angles P-C4'-P energy: -2.675 tors. eta vs tors. theta energy: -2.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -25.360931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.360931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.360931 (E_RNA) where: Base-Base interactions energy: -7.040 where: short stacking energy: -7.040 Base-Backbone interact. energy: -0.000 local terms energy: -18.320663 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -3.764 flat angles P-C4'-P energy: -3.799 tors. eta vs tors. theta energy: -1.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -24.364753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.364753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.364753 (E_RNA) where: Base-Base interactions energy: -8.610 where: short stacking energy: -8.610 Base-Backbone interact. energy: -0.000 local terms energy: -15.754722 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -3.835 flat angles P-C4'-P energy: -1.666 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: 4 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -30.715982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.715982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.715982 (E_RNA) where: Base-Base interactions energy: -12.224 where: short stacking energy: -12.224 Base-Backbone interact. energy: -0.000 local terms energy: -18.491601 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -3.652 flat angles C4'-P-C4' energy: -4.570 flat angles P-C4'-P energy: -2.521 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: 5, replica: 7 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -28.375881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.375881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.375881 (E_RNA) where: Base-Base interactions energy: -9.753 where: short stacking energy: -9.753 Base-Backbone interact. energy: -0.000 local terms energy: -18.623024 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -3.400 flat angles P-C4'-P energy: -2.208 tors. eta vs tors. theta energy: -3.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -22.383328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.383328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.383328 (E_RNA) where: Base-Base interactions energy: -7.463 where: short stacking energy: -7.463 Base-Backbone interact. energy: -0.000 local terms energy: -14.920446 where: bonds (distance) C4'-P energy: -3.393 bonds (distance) P-C4' energy: -3.526 flat angles C4'-P-C4' energy: -3.399 flat angles P-C4'-P energy: -4.072 tors. eta vs tors. theta energy: -0.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -20.826138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.826138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.826138 (E_RNA) where: Base-Base interactions energy: -4.892 where: short stacking energy: -4.892 Base-Backbone interact. energy: -0.000 local terms energy: -15.933931 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -3.711 flat angles C4'-P-C4' energy: -3.079 flat angles P-C4'-P energy: -2.846 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: 8, replica: 9 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -22.568084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.568084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.568084 (E_RNA) where: Base-Base interactions energy: -4.899 where: short stacking energy: -4.899 Base-Backbone interact. energy: -0.101 local terms energy: -17.568612 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -4.629 flat angles P-C4'-P energy: -1.706 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: 9, replica: 1 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -21.947391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.947391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.947391 (E_RNA) where: Base-Base interactions energy: -4.777 where: short stacking energy: -4.777 Base-Backbone interact. energy: -0.000 local terms energy: -17.170331 where: bonds (distance) C4'-P energy: -4.047 bonds (distance) P-C4' energy: -3.131 flat angles C4'-P-C4' energy: -3.695 flat angles P-C4'-P energy: -3.418 tors. eta vs tors. theta energy: -2.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -20.944655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.944655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.944655 (E_RNA) where: Base-Base interactions energy: -4.800 where: short stacking energy: -4.800 Base-Backbone interact. energy: -0.013 local terms energy: -16.131090 where: bonds (distance) C4'-P energy: -3.277 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -3.448 flat angles P-C4'-P energy: -3.007 tors. eta vs tors. theta energy: -1.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -28.298346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.298346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.298346 (E_RNA) where: Base-Base interactions energy: -8.776 where: short stacking energy: -8.776 Base-Backbone interact. energy: -0.000 local terms energy: -19.522204 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -3.120 flat angles P-C4'-P energy: -4.043 tors. eta vs tors. theta energy: -2.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -24.622507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.622507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.622507 (E_RNA) where: Base-Base interactions energy: -7.949 where: short stacking energy: -7.949 Base-Backbone interact. energy: -0.000 local terms energy: -16.673598 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -3.322 flat angles P-C4'-P energy: -2.580 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: 3 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -27.329799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.329799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.329799 (E_RNA) where: Base-Base interactions energy: -8.921 where: short stacking energy: -8.921 Base-Backbone interact. energy: -0.004 local terms energy: -18.404252 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -4.875 flat angles P-C4'-P energy: -2.018 tors. eta vs tors. theta energy: -2.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -23.553713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.553713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.553713 (E_RNA) where: Base-Base interactions energy: -6.077 where: short stacking energy: -6.077 Base-Backbone interact. energy: -0.091 local terms energy: -17.385828 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -4.575 flat angles C4'-P-C4' energy: -3.122 flat angles P-C4'-P energy: -3.259 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: 5, replica: 4 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -24.048109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.048109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.048109 (E_RNA) where: Base-Base interactions energy: -7.349 where: short stacking energy: -7.349 Base-Backbone interact. energy: -0.002 local terms energy: -16.697269 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.441 flat angles C4'-P-C4' energy: -4.025 flat angles P-C4'-P energy: -3.333 tors. eta vs tors. theta energy: -0.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -29.312801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.312801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.312801 (E_RNA) where: Base-Base interactions energy: -10.389 where: short stacking energy: -10.389 Base-Backbone interact. energy: -0.000 local terms energy: -18.923361 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.362 flat angles P-C4'-P energy: -1.977 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: 7, replica: 6 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -23.254124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.254124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.254124 (E_RNA) where: Base-Base interactions energy: -6.416 where: short stacking energy: -6.416 Base-Backbone interact. energy: -0.000 local terms energy: -16.837536 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.697 flat angles P-C4'-P energy: -2.202 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: 8, replica: 1 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -20.592846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.592846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.592846 (E_RNA) where: Base-Base interactions energy: -7.123 where: short stacking energy: -7.123 Base-Backbone interact. energy: -0.000 local terms energy: -13.469214 where: bonds (distance) C4'-P energy: -0.097 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.417 flat angles P-C4'-P energy: -2.449 tors. eta vs tors. theta energy: -2.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -22.061802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.061802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.061802 (E_RNA) where: Base-Base interactions energy: -6.472 where: short stacking energy: -6.472 Base-Backbone interact. energy: -0.000 local terms energy: -15.589588 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -3.100 flat angles C4'-P-C4' energy: -4.165 flat angles P-C4'-P energy: -2.774 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: 10, replica: 8 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -24.671624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.671624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.671624 (E_RNA) where: Base-Base interactions energy: -7.727 where: short stacking energy: -7.727 Base-Backbone interact. energy: -0.000 local terms energy: -16.944518 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -2.413 flat angles C4'-P-C4' energy: -3.647 flat angles P-C4'-P energy: -3.832 tors. eta vs tors. theta energy: -2.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -27.464915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.464915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.464915 (E_RNA) where: Base-Base interactions energy: -8.112 where: short stacking energy: -8.112 Base-Backbone interact. energy: -0.000 local terms energy: -19.352344 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -2.837 flat angles P-C4'-P energy: -3.242 tors. eta vs tors. theta energy: -4.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -27.611238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.611238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.611238 (E_RNA) where: Base-Base interactions energy: -10.321 where: short stacking energy: -10.321 Base-Backbone interact. energy: -0.000 local terms energy: -17.290280 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -4.590 flat angles P-C4'-P energy: -1.336 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: 490 Temperature: 1.000000 Total energy: -28.472885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.472885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.472885 (E_RNA) where: Base-Base interactions energy: -11.842 where: short stacking energy: -11.842 Base-Backbone interact. energy: -0.027 local terms energy: -16.603706 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -3.327 flat angles C4'-P-C4' energy: -4.736 flat angles P-C4'-P energy: -1.834 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: 4, replica: 3 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -24.380705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.380705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.380705 (E_RNA) where: Base-Base interactions energy: -6.722 where: short stacking energy: -6.722 Base-Backbone interact. energy: -0.000 local terms energy: -17.658439 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -3.688 flat angles P-C4'-P energy: -3.397 tors. eta vs tors. theta energy: -1.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -25.585629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.585629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.585629 (E_RNA) where: Base-Base interactions energy: -7.359 where: short stacking energy: -7.359 Base-Backbone interact. energy: -0.003 local terms energy: -18.223535 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.631 flat angles C4'-P-C4' energy: -4.080 flat angles P-C4'-P energy: -3.171 tors. eta vs tors. theta energy: -1.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -24.956307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.956307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.956307 (E_RNA) where: Base-Base interactions energy: -8.358 where: short stacking energy: -8.358 Base-Backbone interact. energy: -0.019 local terms energy: -16.579554 where: bonds (distance) C4'-P energy: -3.372 bonds (distance) P-C4' energy: -3.553 flat angles C4'-P-C4' energy: -4.647 flat angles P-C4'-P energy: -2.711 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: 7, replica: 1 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -28.012069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.012069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.012069 (E_RNA) where: Base-Base interactions energy: -9.675 where: short stacking energy: -9.675 Base-Backbone interact. energy: -0.332 local terms energy: -18.005116 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.057 flat angles C4'-P-C4' energy: -3.154 flat angles P-C4'-P energy: -2.920 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: 8, replica: 6 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -21.686823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.686823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.686823 (E_RNA) where: Base-Base interactions energy: -7.927 where: short stacking energy: -7.927 Base-Backbone interact. energy: -0.000 local terms energy: -13.759451 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.653 flat angles C4'-P-C4' energy: 0.505 flat angles P-C4'-P energy: -3.229 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: 9, replica: 9 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -21.101085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.101085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.101085 (E_RNA) where: Base-Base interactions energy: -6.368 where: short stacking energy: -6.368 Base-Backbone interact. energy: -0.000 local terms energy: -14.733449 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -1.799 flat angles C4'-P-C4' energy: -4.604 flat angles P-C4'-P energy: -2.724 tors. eta vs tors. theta energy: -1.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -24.967620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.967620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.967620 (E_RNA) where: Base-Base interactions energy: -6.119 where: short stacking energy: -6.119 Base-Backbone interact. energy: 0.816 local terms energy: -19.664320 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.786 flat angles P-C4'-P energy: -3.769 tors. eta vs tors. theta energy: -3.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -25.135453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.135453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.135453 (E_RNA) where: Base-Base interactions energy: -9.774 where: short stacking energy: -9.774 Base-Backbone interact. energy: -0.013 local terms energy: -15.348210 where: bonds (distance) C4'-P energy: -3.186 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -4.309 flat angles P-C4'-P energy: -3.277 tors. eta vs tors. theta energy: -0.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -29.115965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.115965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.115965 (E_RNA) where: Base-Base interactions energy: -11.142 where: short stacking energy: -11.142 Base-Backbone interact. energy: -0.000 local terms energy: -17.973852 where: bonds (distance) C4'-P energy: -3.673 bonds (distance) P-C4' energy: -4.320 flat angles C4'-P-C4' energy: -3.811 flat angles P-C4'-P energy: -3.871 tors. eta vs tors. theta energy: -2.298 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: 3, replica: 7 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -26.617572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.617572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.617572 (E_RNA) where: Base-Base interactions energy: -10.874 where: short stacking energy: -10.874 Base-Backbone interact. energy: -0.000 local terms energy: -15.743494 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -4.343 flat angles C4'-P-C4' energy: -3.398 flat angles P-C4'-P energy: -1.806 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: 10 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -24.837291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.837291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.837291 (E_RNA) where: Base-Base interactions energy: -6.649 where: short stacking energy: -6.649 Base-Backbone interact. energy: -0.000 local terms energy: -18.187827 where: bonds (distance) C4'-P energy: -4.311 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -2.353 flat angles P-C4'-P energy: -3.644 tors. eta vs tors. theta energy: -2.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -23.607652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.607652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.607652 (E_RNA) where: Base-Base interactions energy: -7.507 where: short stacking energy: -7.507 Base-Backbone interact. energy: -0.004 local terms energy: -16.096694 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.116 flat angles P-C4'-P energy: -3.908 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: 6, replica: 1 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -24.175572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.175572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.175572 (E_RNA) where: Base-Base interactions energy: -7.000 where: short stacking energy: -7.000 Base-Backbone interact. energy: -0.082 local terms energy: -17.094072 where: bonds (distance) C4'-P energy: -3.256 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.476 flat angles P-C4'-P energy: -3.873 tors. eta vs tors. theta energy: -1.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -23.829096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.829096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.829096 (E_RNA) where: Base-Base interactions energy: -6.795 where: short stacking energy: -6.795 Base-Backbone interact. energy: -0.000 local terms energy: -17.033971 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -3.736 flat angles P-C4'-P energy: -2.383 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: 8, replica: 6 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -20.176507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.176507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.176507 (E_RNA) where: Base-Base interactions energy: -4.571 where: short stacking energy: -4.571 Base-Backbone interact. energy: -0.000 local terms energy: -15.605505 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.106 flat angles C4'-P-C4' energy: -3.568 flat angles P-C4'-P energy: -1.422 tors. eta vs tors. theta energy: -2.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -20.658579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.658579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.658579 (E_RNA) where: Base-Base interactions energy: -4.141 where: short stacking energy: -4.141 Base-Backbone interact. energy: -0.000 local terms energy: -16.517189 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.341 flat angles P-C4'-P energy: -2.934 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: 10, replica: 8 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -21.979759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.979759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.979759 (E_RNA) where: Base-Base interactions energy: -8.997 where: short stacking energy: -8.997 Base-Backbone interact. energy: -1.585 local terms energy: -11.397697 where: bonds (distance) C4'-P energy: -0.424 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -2.512 flat angles P-C4'-P energy: -2.221 tors. eta vs tors. theta energy: -1.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -29.686735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.686735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.686735 (E_RNA) where: Base-Base interactions energy: -11.477 where: short stacking energy: -11.477 Base-Backbone interact. energy: -0.000 local terms energy: -18.209615 where: bonds (distance) C4'-P energy: -4.287 bonds (distance) P-C4' energy: -5.097 flat angles C4'-P-C4' energy: -4.319 flat angles P-C4'-P energy: -3.778 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: 2, replica: 5 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -23.360945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.360945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.360945 (E_RNA) where: Base-Base interactions energy: -9.097 where: short stacking energy: -9.097 Base-Backbone interact. energy: -0.000 local terms energy: -14.264213 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -3.916 flat angles C4'-P-C4' energy: -4.521 flat angles P-C4'-P energy: -2.575 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: 3, replica: 10 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -23.760579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.760579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.760579 (E_RNA) where: Base-Base interactions energy: -6.182 where: short stacking energy: -6.182 Base-Backbone interact. energy: -0.001 local terms energy: -17.577365 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.054 flat angles C4'-P-C4' energy: -4.555 flat angles P-C4'-P energy: -2.923 tors. eta vs tors. theta energy: -1.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -23.954370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.954370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.954370 (E_RNA) where: Base-Base interactions energy: -7.393 where: short stacking energy: -7.393 Base-Backbone interact. energy: -0.005 local terms energy: -16.557183 where: bonds (distance) C4'-P energy: -3.161 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -3.974 flat angles P-C4'-P energy: -3.721 tors. eta vs tors. theta energy: -0.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -23.042822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.042822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.042822 (E_RNA) where: Base-Base interactions energy: -5.509 where: short stacking energy: -5.509 Base-Backbone interact. energy: -0.003 local terms energy: -17.530884 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.869 flat angles P-C4'-P energy: -3.318 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: 6, replica: 3 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -20.345347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.345347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.345347 (E_RNA) where: Base-Base interactions energy: -3.972 where: short stacking energy: -3.979 Base-Backbone interact. energy: -0.025 local terms energy: -16.347854 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.698 flat angles P-C4'-P energy: -3.909 tors. eta vs tors. theta energy: 1.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -24.127506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.127506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.127506 (E_RNA) where: Base-Base interactions energy: -5.117 where: short stacking energy: -5.117 Base-Backbone interact. energy: -0.014 local terms energy: -18.996545 where: bonds (distance) C4'-P energy: -4.535 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.266 flat angles P-C4'-P energy: -3.586 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: 4 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -24.137943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.137943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.137943 (E_RNA) where: Base-Base interactions energy: -11.016 where: short stacking energy: -11.016 Base-Backbone interact. energy: -0.023 local terms energy: -13.098812 where: bonds (distance) C4'-P energy: -1.107 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -2.781 flat angles P-C4'-P energy: -2.824 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: 9, replica: 9 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -20.211736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.211736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.211736 (E_RNA) where: Base-Base interactions energy: -5.530 where: short stacking energy: -5.530 Base-Backbone interact. energy: -0.002 local terms energy: -14.680224 where: bonds (distance) C4'-P energy: -2.805 bonds (distance) P-C4' energy: -3.815 flat angles C4'-P-C4' energy: -3.524 flat angles P-C4'-P energy: -3.588 tors. eta vs tors. theta energy: -0.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -23.902453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.902453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.902453 (E_RNA) where: Base-Base interactions energy: -6.277 where: short stacking energy: -6.277 Base-Backbone interact. energy: -0.000 local terms energy: -17.625164 where: bonds (distance) C4'-P energy: -4.278 bonds (distance) P-C4' energy: -3.815 flat angles C4'-P-C4' energy: -3.130 flat angles P-C4'-P energy: -3.278 tors. eta vs tors. theta energy: -3.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -31.091934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.091934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.091934 (E_RNA) where: Base-Base interactions energy: -12.149 where: short stacking energy: -12.149 Base-Backbone interact. energy: -0.001 local terms energy: -18.941772 where: bonds (distance) C4'-P energy: -4.419 bonds (distance) P-C4' energy: -4.431 flat angles C4'-P-C4' energy: -4.561 flat angles P-C4'-P energy: -3.392 tors. eta vs tors. theta energy: -2.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -26.948961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.948961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.948961 (E_RNA) where: Base-Base interactions energy: -7.329 where: short stacking energy: -7.329 Base-Backbone interact. energy: -0.003 local terms energy: -19.616952 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -4.628 flat angles P-C4'-P energy: -3.624 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: 3, replica: 5 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -24.588123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.588123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.588123 (E_RNA) where: Base-Base interactions energy: -7.765 where: short stacking energy: -7.765 Base-Backbone interact. energy: -0.047 local terms energy: -16.775900 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.290 flat angles P-C4'-P energy: -3.683 tors. eta vs tors. theta energy: -0.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -24.111048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.111048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.111048 (E_RNA) where: Base-Base interactions energy: -7.060 where: short stacking energy: -7.060 Base-Backbone interact. energy: -0.022 local terms energy: -17.028878 where: bonds (distance) C4'-P energy: -3.716 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.118 flat angles P-C4'-P energy: -3.207 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: 7 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -23.351887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.351887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.351887 (E_RNA) where: Base-Base interactions energy: -5.726 where: short stacking energy: -5.726 Base-Backbone interact. energy: -0.000 local terms energy: -17.626222 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.873 flat angles P-C4'-P energy: -2.506 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: 6 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -24.349464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.349464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.349464 (E_RNA) where: Base-Base interactions energy: -4.956 where: short stacking energy: -4.956 Base-Backbone interact. energy: -0.000 local terms energy: -19.393830 where: bonds (distance) C4'-P energy: -4.341 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.678 flat angles P-C4'-P energy: -1.848 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: 7, replica: 3 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -21.914336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.914336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.914336 (E_RNA) where: Base-Base interactions energy: -10.166 where: short stacking energy: -10.166 Base-Backbone interact. energy: -0.021 local terms energy: -11.727168 where: bonds (distance) C4'-P energy: -2.283 bonds (distance) P-C4' energy: -4.624 flat angles C4'-P-C4' energy: -2.251 flat angles P-C4'-P energy: -2.485 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: 8, replica: 9 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -22.429632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.429632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.429632 (E_RNA) where: Base-Base interactions energy: -7.588 where: short stacking energy: -7.588 Base-Backbone interact. energy: -0.098 local terms energy: -14.743397 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -3.551 flat angles C4'-P-C4' energy: -4.642 flat angles P-C4'-P energy: -3.618 tors. eta vs tors. theta energy: 1.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -20.219862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.219862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.219862 (E_RNA) where: Base-Base interactions energy: -6.605 where: short stacking energy: -6.605 Base-Backbone interact. energy: -0.022 local terms energy: -13.592431 where: bonds (distance) C4'-P energy: -1.190 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.610 flat angles P-C4'-P energy: -2.089 tors. eta vs tors. theta energy: -0.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -21.673051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.673051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.673051 (E_RNA) where: Base-Base interactions energy: -7.359 where: short stacking energy: -7.359 Base-Backbone interact. energy: -0.000 local terms energy: -14.314065 where: bonds (distance) C4'-P energy: -3.595 bonds (distance) P-C4' energy: -3.040 flat angles C4'-P-C4' energy: -4.765 flat angles P-C4'-P energy: -1.334 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: 1, replica: 10 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -29.219172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.219172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.219172 (E_RNA) where: Base-Base interactions energy: -11.451 where: short stacking energy: -11.451 Base-Backbone interact. energy: -0.004 local terms energy: -17.764063 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -3.675 flat angles P-C4'-P energy: -3.036 tors. eta vs tors. theta energy: -2.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -27.016446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.016446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.016446 (E_RNA) where: Base-Base interactions energy: -10.904 where: short stacking energy: -10.904 Base-Backbone interact. energy: -0.002 local terms energy: -16.110111 where: bonds (distance) C4'-P energy: -2.606 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.099 flat angles P-C4'-P energy: -2.314 tors. eta vs tors. theta energy: -2.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -27.153881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.153881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.153881 (E_RNA) where: Base-Base interactions energy: -7.953 where: short stacking energy: -7.953 Base-Backbone interact. energy: -0.000 local terms energy: -19.200478 where: bonds (distance) C4'-P energy: -3.592 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -3.998 flat angles P-C4'-P energy: -2.420 tors. eta vs tors. theta energy: -4.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -26.582653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.582653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.582653 (E_RNA) where: Base-Base interactions energy: -11.675 where: short stacking energy: -11.675 Base-Backbone interact. energy: -0.044 local terms energy: -14.863562 where: bonds (distance) C4'-P energy: -1.827 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.067 flat angles P-C4'-P energy: -3.038 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: 5, replica: 6 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -22.900715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.900715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.900715 (E_RNA) where: Base-Base interactions energy: -5.615 where: short stacking energy: -5.615 Base-Backbone interact. energy: -0.000 local terms energy: -17.285391 where: bonds (distance) C4'-P energy: -3.264 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.367 flat angles P-C4'-P energy: -2.973 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: 6, replica: 7 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -21.131042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.131042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.131042 (E_RNA) where: Base-Base interactions energy: -4.738 where: short stacking energy: -4.738 Base-Backbone interact. energy: -0.000 local terms energy: -16.393041 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -4.574 flat angles P-C4'-P energy: -2.660 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: 7, replica: 9 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -21.944922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.944922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.944922 (E_RNA) where: Base-Base interactions energy: -4.749 where: short stacking energy: -4.749 Base-Backbone interact. energy: -0.023 local terms energy: -17.172622 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -4.376 flat angles P-C4'-P energy: -2.904 tors. eta vs tors. theta energy: -1.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -23.304883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.304883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.304883 (E_RNA) where: Base-Base interactions energy: -9.357 where: short stacking energy: -9.367 Base-Backbone interact. energy: -0.000 local terms energy: -13.947771 where: bonds (distance) C4'-P energy: -2.395 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -1.438 flat angles P-C4'-P energy: -3.629 tors. eta vs tors. theta energy: -1.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -20.945267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.945267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.945267 (E_RNA) where: Base-Base interactions energy: -3.493 where: short stacking energy: -3.493 Base-Backbone interact. energy: -0.010 local terms energy: -17.442210 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.746 flat angles P-C4'-P energy: -3.701 tors. eta vs tors. theta energy: 0.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -22.188009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.188009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.188009 (E_RNA) where: Base-Base interactions energy: -4.352 where: short stacking energy: -4.352 Base-Backbone interact. energy: -0.011 local terms energy: -17.825362 where: bonds (distance) C4'-P energy: -3.247 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -3.845 flat angles P-C4'-P energy: -3.594 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: 1, replica: 10 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -27.108705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.108705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.108705 (E_RNA) where: Base-Base interactions energy: -8.563 where: short stacking energy: -8.563 Base-Backbone interact. energy: -0.000 local terms energy: -18.545400 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -3.315 flat angles C4'-P-C4' energy: -4.266 flat angles P-C4'-P energy: -3.554 tors. eta vs tors. theta energy: -2.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -29.111764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.111764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.111764 (E_RNA) where: Base-Base interactions energy: -7.122 where: short stacking energy: -7.122 Base-Backbone interact. energy: -0.000 local terms energy: -21.989864 where: bonds (distance) C4'-P energy: -3.815 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.468 flat angles P-C4'-P energy: -3.652 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: 3, replica: 2 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -28.511001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.511001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.511001 (E_RNA) where: Base-Base interactions energy: -8.836 where: short stacking energy: -8.836 Base-Backbone interact. energy: -0.000 local terms energy: -19.675396 where: bonds (distance) C4'-P energy: -4.411 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.486 flat angles P-C4'-P energy: -1.530 tors. eta vs tors. theta energy: -4.578 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: 6 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -23.820661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.820661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.820661 (E_RNA) where: Base-Base interactions energy: -6.418 where: short stacking energy: -6.418 Base-Backbone interact. energy: -0.059 local terms energy: -17.344120 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.126 flat angles P-C4'-P energy: -3.850 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: 5, replica: 5 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -21.553016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.553016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.553016 (E_RNA) where: Base-Base interactions energy: -8.227 where: short stacking energy: -8.227 Base-Backbone interact. energy: -0.000 local terms energy: -13.325722 where: bonds (distance) C4'-P energy: -2.904 bonds (distance) P-C4' energy: -4.047 flat angles C4'-P-C4' energy: -3.207 flat angles P-C4'-P energy: -2.689 tors. eta vs tors. theta energy: -0.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -27.783125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.783125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.783125 (E_RNA) where: Base-Base interactions energy: -9.783 where: short stacking energy: -9.783 Base-Backbone interact. energy: -0.000 local terms energy: -18.000399 where: bonds (distance) C4'-P energy: -3.807 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -2.397 flat angles P-C4'-P energy: -3.271 tors. eta vs tors. theta energy: -3.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -22.535818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.535818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.535818 (E_RNA) where: Base-Base interactions energy: -6.736 where: short stacking energy: -6.736 Base-Backbone interact. energy: -0.000 local terms energy: -15.799672 where: bonds (distance) C4'-P energy: -2.680 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -3.555 flat angles P-C4'-P energy: -3.137 tors. eta vs tors. theta energy: -2.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -20.759172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.759172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.759172 (E_RNA) where: Base-Base interactions energy: -6.274 where: short stacking energy: -6.274 Base-Backbone interact. energy: -0.000 local terms energy: -14.485570 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -1.719 flat angles P-C4'-P energy: -1.919 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: 9, replica: 3 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -21.653140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.653140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.653140 (E_RNA) where: Base-Base interactions energy: -5.579 where: short stacking energy: -5.579 Base-Backbone interact. energy: -0.000 local terms energy: -16.073814 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.093 flat angles C4'-P-C4' energy: -4.313 flat angles P-C4'-P energy: -3.617 tors. eta vs tors. theta energy: 1.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -21.715796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.715796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.715796 (E_RNA) where: Base-Base interactions energy: -8.601 where: short stacking energy: -8.601 Base-Backbone interact. energy: -0.019 local terms energy: -13.095916 where: bonds (distance) C4'-P energy: -4.527 bonds (distance) P-C4' energy: -3.100 flat angles C4'-P-C4' energy: -3.670 flat angles P-C4'-P energy: -0.968 tors. eta vs tors. theta energy: -0.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -31.264095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.264095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.264095 (E_RNA) where: Base-Base interactions energy: -11.137 where: short stacking energy: -11.137 Base-Backbone interact. energy: -0.000 local terms energy: -20.126871 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -4.245 flat angles P-C4'-P energy: -3.518 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: 2, replica: 10 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -22.828163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.828163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.828163 (E_RNA) where: Base-Base interactions energy: -7.478 where: short stacking energy: -7.478 Base-Backbone interact. energy: -0.000 local terms energy: -15.349236 where: bonds (distance) C4'-P energy: -3.053 bonds (distance) P-C4' energy: -4.836 flat angles C4'-P-C4' energy: -4.328 flat angles P-C4'-P energy: -1.757 tors. eta vs tors. theta energy: -1.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -31.231297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -31.231297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -31.231297 (E_RNA) where: Base-Base interactions energy: -12.061 where: short stacking energy: -12.061 Base-Backbone interact. energy: -0.000 local terms energy: -19.170291 where: bonds (distance) C4'-P energy: -2.830 bonds (distance) P-C4' energy: -4.664 flat angles C4'-P-C4' energy: -3.963 flat angles P-C4'-P energy: -4.128 tors. eta vs tors. theta energy: -3.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -23.488178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.488178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.488178 (E_RNA) where: Base-Base interactions energy: -8.383 where: short stacking energy: -8.383 Base-Backbone interact. energy: -0.000 local terms energy: -15.104523 where: bonds (distance) C4'-P energy: -2.121 bonds (distance) P-C4' energy: -4.054 flat angles C4'-P-C4' energy: -3.919 flat angles P-C4'-P energy: -3.721 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: 9 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -25.682985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.682985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.682985 (E_RNA) where: Base-Base interactions energy: -8.267 where: short stacking energy: -8.267 Base-Backbone interact. energy: -0.016 local terms energy: -17.399745 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.589 flat angles P-C4'-P energy: -2.670 tors. eta vs tors. theta energy: -1.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -26.053311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.053311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.053311 (E_RNA) where: Base-Base interactions energy: -8.083 where: short stacking energy: -8.083 Base-Backbone interact. energy: -0.033 local terms energy: -17.937611 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -3.447 flat angles P-C4'-P energy: -3.491 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: 8 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -25.248382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.248382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.248382 (E_RNA) where: Base-Base interactions energy: -11.116 where: short stacking energy: -11.116 Base-Backbone interact. energy: -0.067 local terms energy: -14.064699 where: bonds (distance) C4'-P energy: -4.634 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -2.605 flat angles P-C4'-P energy: -2.354 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: 7 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -21.739325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.739325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.739325 (E_RNA) where: Base-Base interactions energy: -3.595 where: short stacking energy: -3.595 Base-Backbone interact. energy: -0.000 local terms energy: -18.144483 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.839 flat angles P-C4'-P energy: -1.397 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: 9, replica: 4 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -22.092151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.092151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.092151 (E_RNA) where: Base-Base interactions energy: -7.225 where: short stacking energy: -7.225 Base-Backbone interact. energy: -0.000 local terms energy: -14.866863 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -4.177 flat angles C4'-P-C4' energy: -4.082 flat angles P-C4'-P energy: -1.456 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: 10, replica: 3 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -21.710168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.710168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.710168 (E_RNA) where: Base-Base interactions energy: -7.173 where: short stacking energy: -7.173 Base-Backbone interact. energy: -0.031 local terms energy: -14.506646 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -3.210 flat angles P-C4'-P energy: -1.293 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: 497 Temperature: 0.900000 Total energy: -27.234859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.234859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.234859 (E_RNA) where: Base-Base interactions energy: -8.250 where: short stacking energy: -8.250 Base-Backbone interact. energy: -0.001 local terms energy: -18.983285 where: bonds (distance) C4'-P energy: -3.629 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.786 flat angles P-C4'-P energy: -3.624 tors. eta vs tors. theta energy: -2.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -27.875411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -27.875411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -27.875411 (E_RNA) where: Base-Base interactions energy: -10.377 where: short stacking energy: -10.377 Base-Backbone interact. energy: -0.003 local terms energy: -17.495290 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.668 flat angles C4'-P-C4' energy: -4.357 flat angles P-C4'-P energy: -2.955 tors. eta vs tors. theta energy: -1.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -25.537035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.537035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.537035 (E_RNA) where: Base-Base interactions energy: -8.855 where: short stacking energy: -8.855 Base-Backbone interact. energy: -0.000 local terms energy: -16.681669 where: bonds (distance) C4'-P energy: -3.567 bonds (distance) P-C4' energy: -4.674 flat angles C4'-P-C4' energy: -4.095 flat angles P-C4'-P energy: -2.436 tors. eta vs tors. theta energy: -1.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -24.594153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.594153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.594153 (E_RNA) where: Base-Base interactions energy: -8.235 where: short stacking energy: -8.235 Base-Backbone interact. energy: -0.010 local terms energy: -16.348455 where: bonds (distance) C4'-P energy: -3.104 bonds (distance) P-C4' energy: -4.406 flat angles C4'-P-C4' energy: -4.797 flat angles P-C4'-P energy: -3.382 tors. eta vs tors. theta energy: -0.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -23.943793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.943793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.943793 (E_RNA) where: Base-Base interactions energy: -7.616 where: short stacking energy: -7.616 Base-Backbone interact. energy: -0.075 local terms energy: -16.252626 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -3.053 flat angles P-C4'-P energy: -1.871 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: 6, replica: 8 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -23.808120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.808120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.808120 (E_RNA) where: Base-Base interactions energy: -7.250 where: short stacking energy: -7.250 Base-Backbone interact. energy: -0.001 local terms energy: -16.557272 where: bonds (distance) C4'-P energy: -3.985 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -4.138 flat angles P-C4'-P energy: -2.856 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: 5 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -24.867652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.867652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.867652 (E_RNA) where: Base-Base interactions energy: -9.881 where: short stacking energy: -9.881 Base-Backbone interact. energy: -0.000 local terms energy: -14.986715 where: bonds (distance) C4'-P energy: -2.556 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.437 flat angles P-C4'-P energy: -1.408 tors. eta vs tors. theta energy: -1.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -24.249569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.249569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.249569 (E_RNA) where: Base-Base interactions energy: -5.365 where: short stacking energy: -5.365 Base-Backbone interact. energy: -0.074 local terms energy: -18.809961 where: bonds (distance) C4'-P energy: -4.311 bonds (distance) P-C4' energy: -3.895 flat angles C4'-P-C4' energy: -3.623 flat angles P-C4'-P energy: -3.929 tors. eta vs tors. theta energy: -3.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -21.756131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.756131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.756131 (E_RNA) where: Base-Base interactions energy: -3.943 where: short stacking energy: -3.943 Base-Backbone interact. energy: -0.000 local terms energy: -17.812698 where: bonds (distance) C4'-P energy: -4.279 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -3.533 flat angles P-C4'-P energy: -2.921 tors. eta vs tors. theta energy: -2.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -21.668874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.668874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.668874 (E_RNA) where: Base-Base interactions energy: -7.651 where: short stacking energy: -7.651 Base-Backbone interact. energy: -0.000 local terms energy: -14.017965 where: bonds (distance) C4'-P energy: -3.124 bonds (distance) P-C4' energy: -4.339 flat angles C4'-P-C4' energy: -3.043 flat angles P-C4'-P energy: -2.007 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: 1, replica: 6 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -28.258806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.258806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.258806 (E_RNA) where: Base-Base interactions energy: -7.923 where: short stacking energy: -7.923 Base-Backbone interact. energy: -0.000 local terms energy: -20.335466 where: bonds (distance) C4'-P energy: -4.038 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.095 flat angles P-C4'-P energy: -3.477 tors. eta vs tors. theta energy: -3.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -24.816191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.816191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.816191 (E_RNA) where: Base-Base interactions energy: -8.116 where: short stacking energy: -8.116 Base-Backbone interact. energy: -0.001 local terms energy: -16.699030 where: bonds (distance) C4'-P energy: -3.993 bonds (distance) P-C4' energy: -3.944 flat angles C4'-P-C4' energy: -4.559 flat angles P-C4'-P energy: -2.414 tors. eta vs tors. theta energy: -1.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -28.756937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.756937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.756937 (E_RNA) where: Base-Base interactions energy: -9.590 where: short stacking energy: -9.590 Base-Backbone interact. energy: -0.000 local terms energy: -19.166927 where: bonds (distance) C4'-P energy: -3.781 bonds (distance) P-C4' energy: -5.090 flat angles C4'-P-C4' energy: -3.664 flat angles P-C4'-P energy: -1.956 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: 498 Temperature: 1.050000 Total energy: -25.381225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.381225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.381225 (E_RNA) where: Base-Base interactions energy: -8.931 where: short stacking energy: -8.931 Base-Backbone interact. energy: -0.001 local terms energy: -16.449760 where: bonds (distance) C4'-P energy: -4.109 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -2.839 flat angles P-C4'-P energy: -2.258 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: 5, replica: 8 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -22.934024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.934024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.934024 (E_RNA) where: Base-Base interactions energy: -6.367 where: short stacking energy: -6.367 Base-Backbone interact. energy: 0.900 local terms energy: -17.467123 where: bonds (distance) C4'-P energy: -4.216 bonds (distance) P-C4' energy: -2.814 flat angles C4'-P-C4' energy: -4.290 flat angles P-C4'-P energy: -2.390 tors. eta vs tors. theta energy: -3.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -25.430115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.430115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.430115 (E_RNA) where: Base-Base interactions energy: -7.358 where: short stacking energy: -7.358 Base-Backbone interact. energy: -0.000 local terms energy: -18.072363 where: bonds (distance) C4'-P energy: -4.101 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -3.500 flat angles P-C4'-P energy: -1.759 tors. eta vs tors. theta energy: -4.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -24.234765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.234765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.234765 (E_RNA) where: Base-Base interactions energy: -7.474 where: short stacking energy: -7.474 Base-Backbone interact. energy: -0.000 local terms energy: -16.760408 where: bonds (distance) C4'-P energy: -4.154 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -4.666 flat angles P-C4'-P energy: -2.361 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: 8, replica: 5 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -22.163566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.163566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.163566 (E_RNA) where: Base-Base interactions energy: -3.907 where: short stacking energy: -3.907 Base-Backbone interact. energy: -0.000 local terms energy: -18.256191 where: bonds (distance) C4'-P energy: -3.024 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -4.379 flat angles P-C4'-P energy: -3.728 tors. eta vs tors. theta energy: -2.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -29.762877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.762877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.762877 (E_RNA) where: Base-Base interactions energy: -11.141 where: short stacking energy: -11.141 Base-Backbone interact. energy: -0.000 local terms energy: -18.621799 where: bonds (distance) C4'-P energy: -3.363 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -4.647 flat angles P-C4'-P energy: -2.803 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: 10, replica: 7 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -20.499967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.499967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.499967 (E_RNA) where: Base-Base interactions energy: -6.615 where: short stacking energy: -6.615 Base-Backbone interact. energy: -0.014 local terms energy: -13.871184 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -0.614 flat angles P-C4'-P energy: -2.631 tors. eta vs tors. theta energy: -0.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -30.287518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -30.287518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -30.287518 (E_RNA) where: Base-Base interactions energy: -11.075 where: short stacking energy: -11.075 Base-Backbone interact. energy: -0.000 local terms energy: -19.212970 where: bonds (distance) C4'-P energy: -3.541 bonds (distance) P-C4' energy: -5.122 flat angles C4'-P-C4' energy: -4.265 flat angles P-C4'-P energy: -2.901 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: 2 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -28.424145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.424145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.424145 (E_RNA) where: Base-Base interactions energy: -11.459 where: short stacking energy: -11.459 Base-Backbone interact. energy: -0.000 local terms energy: -16.965553 where: bonds (distance) C4'-P energy: -3.549 bonds (distance) P-C4' energy: -3.811 flat angles C4'-P-C4' energy: -4.025 flat angles P-C4'-P energy: -2.339 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: 3, replica: 1 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -23.882896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.882896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.882896 (E_RNA) where: Base-Base interactions energy: -8.114 where: short stacking energy: -8.114 Base-Backbone interact. energy: -0.000 local terms energy: -15.768783 where: bonds (distance) C4'-P energy: -3.008 bonds (distance) P-C4' energy: -3.793 flat angles C4'-P-C4' energy: -4.252 flat angles P-C4'-P energy: -3.673 tors. eta vs tors. theta energy: -1.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -22.462118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.462118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.462118 (E_RNA) where: Base-Base interactions energy: -6.463 where: short stacking energy: -6.463 Base-Backbone interact. energy: -0.004 local terms energy: -15.995133 where: bonds (distance) C4'-P energy: -4.626 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -4.271 flat angles P-C4'-P energy: -1.855 tors. eta vs tors. theta energy: 0.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -26.089996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.089996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.089996 (E_RNA) where: Base-Base interactions energy: -7.074 where: short stacking energy: -7.074 Base-Backbone interact. energy: -0.000 local terms energy: -19.016148 where: bonds (distance) C4'-P energy: -4.295 bonds (distance) P-C4' energy: -5.115 flat angles C4'-P-C4' energy: -4.116 flat angles P-C4'-P energy: -2.556 tors. eta vs tors. theta energy: -2.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -19.723306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.723306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.723306 (E_RNA) where: Base-Base interactions energy: -2.744 where: short stacking energy: -2.744 Base-Backbone interact. energy: -0.018 local terms energy: -16.961092 where: bonds (distance) C4'-P energy: -2.307 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.027 flat angles P-C4'-P energy: -3.437 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: 9 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -25.728683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.728683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.728683 (E_RNA) where: Base-Base interactions energy: -10.509 where: short stacking energy: -10.509 Base-Backbone interact. energy: -0.000 local terms energy: -15.219116 where: bonds (distance) C4'-P energy: -2.068 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.054 flat angles P-C4'-P energy: -2.714 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: 3 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -22.663063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.663063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.663063 (E_RNA) where: Base-Base interactions energy: -7.016 where: short stacking energy: -7.016 Base-Backbone interact. energy: -0.024 local terms energy: -15.622538 where: bonds (distance) C4'-P energy: -3.309 bonds (distance) P-C4' energy: -4.392 flat angles C4'-P-C4' energy: -3.822 flat angles P-C4'-P energy: -2.087 tors. eta vs tors. theta energy: -2.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -25.068301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.068301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.068301 (E_RNA) where: Base-Base interactions energy: -7.322 where: short stacking energy: -7.322 Base-Backbone interact. energy: -0.003 local terms energy: -17.742869 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.794 flat angles P-C4'-P energy: -2.694 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: 10, replica: 7 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -21.223050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.223050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.223050 (E_RNA) where: Base-Base interactions energy: -7.807 where: short stacking energy: -7.807 Base-Backbone interact. energy: -0.000 local terms energy: -13.415992 where: bonds (distance) C4'-P energy: -2.473 bonds (distance) P-C4' energy: -4.149 flat angles C4'-P-C4' energy: -3.896 flat angles P-C4'-P energy: -2.937 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: 1, replica: 2 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -26.716132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.716132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.716132 (E_RNA) where: Base-Base interactions energy: -9.138 where: short stacking energy: -9.138 Base-Backbone interact. energy: -0.001 local terms energy: -17.577191 where: bonds (distance) C4'-P energy: -3.657 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -3.924 flat angles P-C4'-P energy: -2.555 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: 2, replica: 6 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -26.646777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.646777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.646777 (E_RNA) where: Base-Base interactions energy: -10.843 where: short stacking energy: -10.843 Base-Backbone interact. energy: -0.001 local terms energy: -15.803233 where: bonds (distance) C4'-P energy: -3.161 bonds (distance) P-C4' energy: -3.941 flat angles C4'-P-C4' energy: -4.215 flat angles P-C4'-P energy: -2.006 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: 8 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -26.300729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.300729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.300729 (E_RNA) where: Base-Base interactions energy: -5.541 where: short stacking energy: -5.541 Base-Backbone interact. energy: -0.047 local terms energy: -20.712644 where: bonds (distance) C4'-P energy: -4.510 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.207 flat angles P-C4'-P energy: -3.257 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: 4, replica: 1 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -22.604402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.604402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.604402 (E_RNA) where: Base-Base interactions energy: -3.917 where: short stacking energy: -3.917 Base-Backbone interact. energy: -0.000 local terms energy: -18.687286 where: bonds (distance) C4'-P energy: -3.691 bonds (distance) P-C4' energy: -4.435 flat angles C4'-P-C4' energy: -3.658 flat angles P-C4'-P energy: -3.907 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: 5, replica: 4 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -24.074045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -24.074045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -24.074045 (E_RNA) where: Base-Base interactions energy: -5.402 where: short stacking energy: -5.402 Base-Backbone interact. energy: -0.000 local terms energy: -18.672497 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -4.035 flat angles P-C4'-P energy: -2.872 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: 10 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -21.406226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.406226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.406226 (E_RNA) where: Base-Base interactions energy: -6.297 where: short stacking energy: -6.297 Base-Backbone interact. energy: -0.001 local terms energy: -15.108390 where: bonds (distance) C4'-P energy: -2.432 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -2.795 flat angles P-C4'-P energy: -3.567 tors. eta vs tors. theta energy: -1.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -21.583059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.583059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.583059 (E_RNA) where: Base-Base interactions energy: -6.770 where: short stacking energy: -6.770 Base-Backbone interact. energy: -0.074 local terms energy: -14.738554 where: bonds (distance) C4'-P energy: -3.923 bonds (distance) P-C4' energy: -4.671 flat angles C4'-P-C4' energy: -3.908 flat angles P-C4'-P energy: -2.905 tors. eta vs tors. theta energy: 0.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -21.841901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -21.841901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -21.841901 (E_RNA) where: Base-Base interactions energy: -3.777 where: short stacking energy: -3.777 Base-Backbone interact. energy: -0.097 local terms energy: -17.968439 where: bonds (distance) C4'-P energy: -4.341 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -3.696 flat angles P-C4'-P energy: -3.765 tors. eta vs tors. theta energy: -0.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -25.941372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -25.941372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -25.941372 (E_RNA) where: Base-Base interactions energy: -7.382 where: short stacking energy: -7.382 Base-Backbone interact. energy: -0.000 local terms energy: -18.559740 where: bonds (distance) C4'-P energy: -2.954 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -4.152 flat angles P-C4'-P energy: -3.843 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: 10, replica: 5 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -20.936948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -20.936948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -20.936948 (E_RNA) where: Base-Base interactions energy: -4.919 where: short stacking energy: -4.919 Base-Backbone interact. energy: -0.035 local terms energy: -15.983210 where: bonds (distance) C4'-P energy: -3.414 bonds (distance) P-C4' energy: -4.656 flat angles C4'-P-C4' energy: -4.134 flat angles P-C4'-P energy: -3.471 tors. eta vs tors. theta energy: -0.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -26.097964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.097964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.097964 (E_RNA) where: Base-Base interactions energy: -11.257 where: short stacking energy: -11.257 Base-Backbone interact. energy: -0.002 local terms energy: -14.838849 where: bonds (distance) C4'-P energy: -4.394 bonds (distance) P-C4' energy: -3.336 flat angles C4'-P-C4' energy: -4.345 flat angles P-C4'-P energy: -2.249 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: 2, replica: 6 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -29.675054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -29.675054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -29.675054 (E_RNA) where: Base-Base interactions energy: -9.924 where: short stacking energy: -9.924 Base-Backbone interact. energy: -0.000 local terms energy: -19.750650 where: bonds (distance) C4'-P energy: -3.665 bonds (distance) P-C4' energy: -5.351 flat angles C4'-P-C4' energy: -4.010 flat angles P-C4'-P energy: -3.020 tors. eta vs tors. theta energy: -3.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -28.541640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -28.541640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -28.541640 (E_RNA) where: Base-Base interactions energy: -11.832 where: short stacking energy: -11.832 Base-Backbone interact. energy: -0.000 local terms energy: -16.710030 where: bonds (distance) C4'-P energy: -2.163 bonds (distance) P-C4' energy: -4.413 flat angles C4'-P-C4' energy: -4.820 flat angles P-C4'-P energy: -2.917 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: 4, replica: 4 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -26.582652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -26.582652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -26.582652 (E_RNA) where: Base-Base interactions energy: -9.206 where: short stacking energy: -9.206 Base-Backbone interact. energy: -0.077 local terms energy: -17.299736 where: bonds (distance) C4'-P energy: -2.023 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -4.148 flat angles P-C4'-P energy: -3.906 tors. eta vs tors. theta energy: -2.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -22.798035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.798035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.798035 (E_RNA) where: Base-Base interactions energy: -7.003 where: short stacking energy: -7.003 Base-Backbone interact. energy: -0.000 local terms energy: -15.794911 where: bonds (distance) C4'-P energy: -2.589 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -3.705 flat angles P-C4'-P energy: -3.384 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: 6, replica: 3 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -23.369087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.369087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.369087 (E_RNA) where: Base-Base interactions energy: -6.115 where: short stacking energy: -6.115 Base-Backbone interact. energy: -0.000 local terms energy: -17.253580 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -5.358 flat angles C4'-P-C4' energy: -2.359 flat angles P-C4'-P energy: -3.270 tors. eta vs tors. theta energy: -1.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -23.732880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.732880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.732880 (E_RNA) where: Base-Base interactions energy: -6.664 where: short stacking energy: -6.664 Base-Backbone interact. energy: -0.000 local terms energy: -17.069198 where: bonds (distance) C4'-P energy: -4.518 bonds (distance) P-C4' energy: -4.205 flat angles C4'-P-C4' energy: -2.864 flat angles P-C4'-P energy: -2.625 tors. eta vs tors. theta energy: -2.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -22.814076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -22.814076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -22.814076 (E_RNA) where: Base-Base interactions energy: -6.049 where: short stacking energy: -6.049 Base-Backbone interact. energy: -0.008 local terms energy: -16.756436 where: bonds (distance) C4'-P energy: -4.402 bonds (distance) P-C4' energy: -4.410 flat angles C4'-P-C4' energy: -1.429 flat angles P-C4'-P energy: -3.644 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: 9 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -23.465104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -23.465104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -23.465104 (E_RNA) where: Base-Base interactions energy: -4.538 where: short stacking energy: -4.538 Base-Backbone interact. energy: 0.110 local terms energy: -19.036879 where: bonds (distance) C4'-P energy: -4.117 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -3.852 flat angles P-C4'-P energy: -3.469 tors. eta vs tors. theta energy: -2.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -19.949317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -19.949317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -19.949317 (E_RNA) where: Base-Base interactions energy: -3.773 where: short stacking energy: -3.773 Base-Backbone interact. energy: -0.000 local terms energy: -16.176056 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -5.354 flat angles C4'-P-C4' energy: -2.479 flat angles P-C4'-P energy: -4.102 tors. eta vs tors. theta energy: -0.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) replica 6 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 6668458 moves confirmed later: 8987653 all moves confirmed: 15656111 percent of confirmed moves: 1.957014 current total energy: -17.335848 recalc. total energy: -17.335848 replica 2 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 6677192 moves confirmed later: 9003528 all moves confirmed: 15680720 percent of confirmed moves: 1.960090 current total energy: -11.669795 recalc. total energy: -11.669795 replica 4 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 6688913 moves confirmed later: 9035275 all moves confirmed: 15724188 percent of confirmed moves: 1.965523 current total energy: -8.894176 recalc. total energy: -8.894176 replica 8 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 6649325 moves confirmed later: 8948768 all moves confirmed: 15598093 percent of confirmed moves: 1.949762 current total energy: -6.627021 recalc. total energy: -6.627021 replica 3 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 6658074 moves confirmed later: 8974493 all moves confirmed: 15632567 percent of confirmed moves: 1.954071 current total energy: -3.473936 recalc. total energy: -3.473936 replica 1 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 6656088 moves confirmed later: 8965002 all moves confirmed: 15621090 percent of confirmed moves: 1.952636 current total energy: -10.220781 recalc. total energy: -10.220781 replica 7 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 6658104 moves confirmed later: 8968485 all moves confirmed: 15626589 percent of confirmed moves: 1.953324 current total energy: -9.504545 recalc. total energy: -9.504545 replica 10 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 6696785 moves confirmed later: 9037274 all moves confirmed: 15734059 percent of confirmed moves: 1.966757 current total energy: 1.532171 recalc. total energy: 1.532171 replica 5 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 6654600 moves confirmed later: 8962382 all moves confirmed: 15616982 percent of confirmed moves: 1.952123 current total energy: -5.619042 recalc. total energy: -5.619042 replica 9 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 6665194 moves confirmed later: 8978897 all moves confirmed: 15644091 percent of confirmed moves: 1.955511 current total energy: -10.482412 recalc. total energy: -10.482412 out arg RESULTS//1/5m8i_rna-cb22d2b2_01 Time of doing 8000000 iterations: 304.089 seconds