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/PI-5990f917/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/PI-5990f917/inputs/seq.fa: 1 curr_seq: _CGCACCACGUUGGCGAAGCU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CGCACCACGUUGGCGAAGCU 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 20 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: 105 n_atoms_counter: 105 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 20.000000 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/PI-5990f917/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/PI-5990f917/inputs/seq.fa: 1 curr_seq: _CGCACCACGUUGGCGAAGCU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CGCACCACGUUGGCGAAGCU 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 20 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: 105 n_atoms_counter: 105 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 20.000000 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/PI-5990f917/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/PI-5990f917/inputs/seq.fa: 1 curr_seq: _CGCACCACGUUGGCGAAGCU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CGCACCACGUUGGCGAAGCU 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 20 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: 105 n_atoms_counter: 105 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 20.000000 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/PI-5990f917/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/PI-5990f917/inputs/seq.fa: 1 curr_seq: _CGCACCACGUUGGCGAAGCU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CGCACCACGUUGGCGAAGCU 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 20 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: 105 n_atoms_counter: 105 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 20.000000 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/PI-5990f917/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/PI-5990f917/inputs/seq.fa: 1 curr_seq: _CGCACCACGUUGGCGAAGCU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CGCACCACGUUGGCGAAGCU 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 20 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: 105 n_atoms_counter: 105 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 20.000000 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/PI-5990f917/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/PI-5990f917/inputs/seq.fa: 1 curr_seq: _CGCACCACGUUGGCGAAGCU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CGCACCACGUUGGCGAAGCU 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 20 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: 105 n_atoms_counter: 105 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 20.000000 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/PI-5990f917/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/PI-5990f917/inputs/seq.fa: 1 curr_seq: _CGCACCACGUUGGCGAAGCU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CGCACCACGUUGGCGAAGCU 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 20 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: 105 n_atoms_counter: 105 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 20.000000 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/PI-5990f917/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/PI-5990f917/inputs/seq.fa: 1 curr_seq: _CGCACCACGUUGGCGAAGCU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CGCACCACGUUGGCGAAGCU 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 20 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: 105 n_atoms_counter: 105 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 20.000000 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/PI-5990f917/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/PI-5990f917/inputs/seq.fa: 1 curr_seq: _CGCACCACGUUGGCGAAGCU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CGCACCACGUUGGCGAAGCU 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 20 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: 105 n_atoms_counter: 105 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 20.000000 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/PI-5990f917/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/PI-5990f917/inputs/seq.fa: 1 curr_seq: _CGCACCACGUUGGCGAAGCU_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CGCACCACGUUGGCGAAGCU 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 20 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: 105 n_atoms_counter: 105 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 20.000000 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: -75.787034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.787034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.787034 (E_RNA) where: Base-Base interactions energy: -1.297 where: short stacking energy: -1.297 Base-Backbone interact. energy: -0.000 local terms energy: -74.490065 where: bonds (distance) C4'-P energy: -19.432 bonds (distance) P-C4' energy: -18.788 flat angles C4'-P-C4' energy: -14.684 flat angles P-C4'-P energy: -16.797 tors. eta vs tors. theta energy: -4.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -75.787034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.787034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.787034 (E_RNA) where: Base-Base interactions energy: -1.297 where: short stacking energy: -1.297 Base-Backbone interact. energy: -0.000 local terms energy: -74.490065 where: bonds (distance) C4'-P energy: -19.432 bonds (distance) P-C4' energy: -18.788 flat angles C4'-P-C4' energy: -14.684 flat angles P-C4'-P energy: -16.797 tors. eta vs tors. theta energy: -4.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -75.787034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.787034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.787034 (E_RNA) where: Base-Base interactions energy: -1.297 where: short stacking energy: -1.297 Base-Backbone interact. energy: -0.000 local terms energy: -74.490065 where: bonds (distance) C4'-P energy: -19.432 bonds (distance) P-C4' energy: -18.788 flat angles C4'-P-C4' energy: -14.684 flat angles P-C4'-P energy: -16.797 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: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -75.787034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.787034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.787034 (E_RNA) where: Base-Base interactions energy: -1.297 where: short stacking energy: -1.297 Base-Backbone interact. energy: -0.000 local terms energy: -74.490065 where: bonds (distance) C4'-P energy: -19.432 bonds (distance) P-C4' energy: -18.788 flat angles C4'-P-C4' energy: -14.684 flat angles P-C4'-P energy: -16.797 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: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -75.787034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.787034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.787034 (E_RNA) where: Base-Base interactions energy: -1.297 where: short stacking energy: -1.297 Base-Backbone interact. energy: -0.000 local terms energy: -74.490065 where: bonds (distance) C4'-P energy: -19.432 bonds (distance) P-C4' energy: -18.788 flat angles C4'-P-C4' energy: -14.684 flat angles P-C4'-P energy: -16.797 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: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -75.787034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.787034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.787034 (E_RNA) where: Base-Base interactions energy: -1.297 where: short stacking energy: -1.297 Base-Backbone interact. energy: -0.000 local terms energy: -74.490065 where: bonds (distance) C4'-P energy: -19.432 bonds (distance) P-C4' energy: -18.788 flat angles C4'-P-C4' energy: -14.684 flat angles P-C4'-P energy: -16.797 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: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -75.787034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.787034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.787034 (E_RNA) where: Base-Base interactions energy: -1.297 where: short stacking energy: -1.297 Base-Backbone interact. energy: -0.000 local terms energy: -74.490065 where: bonds (distance) C4'-P energy: -19.432 bonds (distance) P-C4' energy: -18.788 flat angles C4'-P-C4' energy: -14.684 flat angles P-C4'-P energy: -16.797 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: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -75.787034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.787034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.787034 (E_RNA) where: Base-Base interactions energy: -1.297 where: short stacking energy: -1.297 Base-Backbone interact. energy: -0.000 local terms energy: -74.490065 where: bonds (distance) C4'-P energy: -19.432 bonds (distance) P-C4' energy: -18.788 flat angles C4'-P-C4' energy: -14.684 flat angles P-C4'-P energy: -16.797 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: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -75.787034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.787034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.787034 (E_RNA) where: Base-Base interactions energy: -1.297 where: short stacking energy: -1.297 Base-Backbone interact. energy: -0.000 local terms energy: -74.490065 where: bonds (distance) C4'-P energy: -19.432 bonds (distance) P-C4' energy: -18.788 flat angles C4'-P-C4' energy: -14.684 flat angles P-C4'-P energy: -16.797 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: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -75.787034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.787034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.787034 (E_RNA) where: Base-Base interactions energy: -1.297 where: short stacking energy: -1.297 Base-Backbone interact. energy: -0.000 local terms energy: -74.490065 where: bonds (distance) C4'-P energy: -19.432 bonds (distance) P-C4' energy: -18.788 flat angles C4'-P-C4' energy: -14.684 flat angles P-C4'-P energy: -16.797 tors. eta vs tors. theta energy: -4.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -122.997393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.997393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.997393 (E_RNA) where: Base-Base interactions energy: -55.754 where: short stacking energy: -53.530 Base-Backbone interact. energy: -0.309 local terms energy: -66.934693 where: bonds (distance) C4'-P energy: -15.690 bonds (distance) P-C4' energy: -16.858 flat angles C4'-P-C4' energy: -12.138 flat angles P-C4'-P energy: -9.655 tors. eta vs tors. theta energy: -12.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -150.123573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.123573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.123573 (E_RNA) where: Base-Base interactions energy: -78.159 where: short stacking energy: -56.464 Base-Backbone interact. energy: -0.417 local terms energy: -71.547990 where: bonds (distance) C4'-P energy: -15.933 bonds (distance) P-C4' energy: -14.371 flat angles C4'-P-C4' energy: -15.577 flat angles P-C4'-P energy: -12.285 tors. eta vs tors. theta energy: -13.381 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: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -107.072599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.072599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.072599 (E_RNA) where: Base-Base interactions energy: -52.263 where: short stacking energy: -38.192 Base-Backbone interact. energy: -0.286 local terms energy: -54.523383 where: bonds (distance) C4'-P energy: -12.147 bonds (distance) P-C4' energy: -13.440 flat angles C4'-P-C4' energy: -14.273 flat angles P-C4'-P energy: -10.232 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: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -104.383287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.383287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.383287 (E_RNA) where: Base-Base interactions energy: -47.715 where: short stacking energy: -36.492 Base-Backbone interact. energy: -0.028 local terms energy: -56.640925 where: bonds (distance) C4'-P energy: -14.236 bonds (distance) P-C4' energy: -17.513 flat angles C4'-P-C4' energy: -11.583 flat angles P-C4'-P energy: -8.539 tors. eta vs tors. theta energy: -4.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -95.344349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.344349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.344349 (E_RNA) where: Base-Base interactions energy: -35.360 where: short stacking energy: -35.360 Base-Backbone interact. energy: -0.113 local terms energy: -59.870899 where: bonds (distance) C4'-P energy: -14.890 bonds (distance) P-C4' energy: -12.664 flat angles C4'-P-C4' energy: -13.376 flat angles P-C4'-P energy: -11.930 tors. eta vs tors. theta energy: -7.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -85.949175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.949175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.949175 (E_RNA) where: Base-Base interactions energy: -35.000 where: short stacking energy: -30.757 Base-Backbone interact. energy: -0.104 local terms energy: -50.844912 where: bonds (distance) C4'-P energy: -16.082 bonds (distance) P-C4' energy: -8.290 flat angles C4'-P-C4' energy: -10.057 flat angles P-C4'-P energy: -10.305 tors. eta vs tors. theta energy: -6.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -114.750146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.750146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.750146 (E_RNA) where: Base-Base interactions energy: -64.618 where: short stacking energy: -45.580 Base-Backbone interact. energy: -0.117 local terms energy: -50.014660 where: bonds (distance) C4'-P energy: -10.775 bonds (distance) P-C4' energy: -15.187 flat angles C4'-P-C4' energy: -15.472 flat angles P-C4'-P energy: -4.488 tors. eta vs tors. theta energy: -4.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -103.748619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.748619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.748619 (E_RNA) where: Base-Base interactions energy: -52.095 where: short stacking energy: -27.335 Base-Backbone interact. energy: -0.575 local terms energy: -51.078479 where: bonds (distance) C4'-P energy: -13.026 bonds (distance) P-C4' energy: -14.777 flat angles C4'-P-C4' energy: -14.101 flat angles P-C4'-P energy: -9.704 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: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -84.767704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.767704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.767704 (E_RNA) where: Base-Base interactions energy: -37.588 where: short stacking energy: -34.009 Base-Backbone interact. energy: -0.034 local terms energy: -47.145918 where: bonds (distance) C4'-P energy: -14.773 bonds (distance) P-C4' energy: -12.943 flat angles C4'-P-C4' energy: -9.848 flat angles P-C4'-P energy: -6.011 tors. eta vs tors. theta energy: -3.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -77.080047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.080047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.080047 (E_RNA) where: Base-Base interactions energy: -24.551 where: short stacking energy: -24.551 Base-Backbone interact. energy: -0.616 local terms energy: -51.912998 where: bonds (distance) C4'-P energy: -12.621 bonds (distance) P-C4' energy: -12.943 flat angles C4'-P-C4' energy: -14.146 flat angles P-C4'-P energy: -9.419 tors. eta vs tors. theta energy: -2.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -157.734355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.734355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.734355 (E_RNA) where: Base-Base interactions energy: -97.145 where: short stacking energy: -55.477 Base-Backbone interact. energy: -0.203 local terms energy: -60.386546 where: bonds (distance) C4'-P energy: -11.244 bonds (distance) P-C4' energy: -15.487 flat angles C4'-P-C4' energy: -16.485 flat angles P-C4'-P energy: -6.050 tors. eta vs tors. theta energy: -11.120 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: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -199.349269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.349269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.349269 (E_RNA) where: Base-Base interactions energy: -130.793 where: short stacking energy: -68.584 Base-Backbone interact. energy: -0.001 local terms energy: -68.555501 where: bonds (distance) C4'-P energy: -14.547 bonds (distance) P-C4' energy: -14.492 flat angles C4'-P-C4' energy: -14.274 flat angles P-C4'-P energy: -9.359 tors. eta vs tors. theta energy: -15.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -147.437440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.437440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.437440 (E_RNA) where: Base-Base interactions energy: -91.050 where: short stacking energy: -40.794 Base-Backbone interact. energy: -0.193 local terms energy: -56.195269 where: bonds (distance) C4'-P energy: -11.703 bonds (distance) P-C4' energy: -15.383 flat angles C4'-P-C4' energy: -15.441 flat angles P-C4'-P energy: -8.343 tors. eta vs tors. theta energy: -5.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -139.964480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.964480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.964480 (E_RNA) where: Base-Base interactions energy: -82.260 where: short stacking energy: -50.037 Base-Backbone interact. energy: -0.004 local terms energy: -57.700559 where: bonds (distance) C4'-P energy: -12.655 bonds (distance) P-C4' energy: -14.558 flat angles C4'-P-C4' energy: -15.076 flat angles P-C4'-P energy: -4.044 tors. eta vs tors. theta energy: -11.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -94.880808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.880808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.880808 (E_RNA) where: Base-Base interactions energy: -41.494 where: short stacking energy: -38.642 Base-Backbone interact. energy: -0.230 local terms energy: -53.156836 where: bonds (distance) C4'-P energy: -7.550 bonds (distance) P-C4' energy: -15.272 flat angles C4'-P-C4' energy: -13.059 flat angles P-C4'-P energy: -8.562 tors. eta vs tors. theta energy: -8.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -104.870754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.870754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.870754 (E_RNA) where: Base-Base interactions energy: -43.384 where: short stacking energy: -43.384 Base-Backbone interact. energy: -0.123 local terms energy: -61.363106 where: bonds (distance) C4'-P energy: -13.306 bonds (distance) P-C4' energy: -11.752 flat angles C4'-P-C4' energy: -14.752 flat angles P-C4'-P energy: -13.556 tors. eta vs tors. theta energy: -7.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -98.277130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.277130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.277130 (E_RNA) where: Base-Base interactions energy: -39.267 where: short stacking energy: -37.867 Base-Backbone interact. energy: -0.043 local terms energy: -58.966823 where: bonds (distance) C4'-P energy: -13.143 bonds (distance) P-C4' energy: -12.495 flat angles C4'-P-C4' energy: -13.975 flat angles P-C4'-P energy: -11.654 tors. eta vs tors. theta energy: -7.699 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: 3 Temperature: 1.250000 Total energy: -82.981537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.981537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.981537 (E_RNA) where: Base-Base interactions energy: -29.751 where: short stacking energy: -29.751 Base-Backbone interact. energy: -0.146 local terms energy: -53.084453 where: bonds (distance) C4'-P energy: -13.614 bonds (distance) P-C4' energy: -16.846 flat angles C4'-P-C4' energy: -15.737 flat angles P-C4'-P energy: -6.935 tors. eta vs tors. theta energy: 0.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -96.841943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.841943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.841943 (E_RNA) where: Base-Base interactions energy: -56.564 where: short stacking energy: -32.870 Base-Backbone interact. energy: -0.175 local terms energy: -40.103261 where: bonds (distance) C4'-P energy: -14.220 bonds (distance) P-C4' energy: -12.432 flat angles C4'-P-C4' energy: -5.634 flat angles P-C4'-P energy: -4.779 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: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -78.238908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.238908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.238908 (E_RNA) where: Base-Base interactions energy: -38.383 where: short stacking energy: -29.285 Base-Backbone interact. energy: -0.222 local terms energy: -39.634458 where: bonds (distance) C4'-P energy: -8.453 bonds (distance) P-C4' energy: -11.814 flat angles C4'-P-C4' energy: -8.431 flat angles P-C4'-P energy: -8.462 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: 1, replica: 2 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -207.533990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.533990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.533990 (E_RNA) where: Base-Base interactions energy: -133.769 where: short stacking energy: -69.857 Base-Backbone interact. energy: -0.071 local terms energy: -73.693882 where: bonds (distance) C4'-P energy: -16.062 bonds (distance) P-C4' energy: -12.349 flat angles C4'-P-C4' energy: -15.250 flat angles P-C4'-P energy: -12.437 tors. eta vs tors. theta energy: -17.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -165.283573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.283573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.283573 (E_RNA) where: Base-Base interactions energy: -92.700 where: short stacking energy: -63.626 Base-Backbone interact. energy: -0.388 local terms energy: -72.195279 where: bonds (distance) C4'-P energy: -12.460 bonds (distance) P-C4' energy: -15.975 flat angles C4'-P-C4' energy: -16.891 flat angles P-C4'-P energy: -11.760 tors. eta vs tors. theta energy: -15.110 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: 3 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -142.153039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.153039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.153039 (E_RNA) where: Base-Base interactions energy: -85.871 where: short stacking energy: -39.170 Base-Backbone interact. energy: -0.586 local terms energy: -55.696124 where: bonds (distance) C4'-P energy: -15.034 bonds (distance) P-C4' energy: -11.376 flat angles C4'-P-C4' energy: -15.945 flat angles P-C4'-P energy: -6.309 tors. eta vs tors. theta energy: -7.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -123.600616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.600616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.600616 (E_RNA) where: Base-Base interactions energy: -63.344 where: short stacking energy: -38.908 Base-Backbone interact. energy: 0.127 local terms energy: -60.383984 where: bonds (distance) C4'-P energy: -14.771 bonds (distance) P-C4' energy: -16.600 flat angles C4'-P-C4' energy: -14.554 flat angles P-C4'-P energy: -10.254 tors. eta vs tors. theta energy: -4.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -102.864196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.864196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.864196 (E_RNA) where: Base-Base interactions energy: -43.903 where: short stacking energy: -43.903 Base-Backbone interact. energy: -0.244 local terms energy: -58.716946 where: bonds (distance) C4'-P energy: -13.069 bonds (distance) P-C4' energy: -15.298 flat angles C4'-P-C4' energy: -16.052 flat angles P-C4'-P energy: -9.262 tors. eta vs tors. theta energy: -5.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -103.202526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.202526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.202526 (E_RNA) where: Base-Base interactions energy: -50.262 where: short stacking energy: -35.367 Base-Backbone interact. energy: -0.147 local terms energy: -52.793597 where: bonds (distance) C4'-P energy: -11.897 bonds (distance) P-C4' energy: -9.313 flat angles C4'-P-C4' energy: -15.713 flat angles P-C4'-P energy: -10.027 tors. eta vs tors. theta energy: -5.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -93.093101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.093101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.093101 (E_RNA) where: Base-Base interactions energy: -32.033 where: short stacking energy: -26.092 Base-Backbone interact. energy: -0.502 local terms energy: -60.558098 where: bonds (distance) C4'-P energy: -14.063 bonds (distance) P-C4' energy: -17.062 flat angles C4'-P-C4' energy: -15.400 flat angles P-C4'-P energy: -11.722 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: 8, replica: 7 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -95.675524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.675524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.675524 (E_RNA) where: Base-Base interactions energy: -43.920 where: short stacking energy: -28.435 Base-Backbone interact. energy: -0.386 local terms energy: -51.368910 where: bonds (distance) C4'-P energy: -12.381 bonds (distance) P-C4' energy: -12.265 flat angles C4'-P-C4' energy: -15.356 flat angles P-C4'-P energy: -11.902 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: 9, replica: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -87.805054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.805054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.805054 (E_RNA) where: Base-Base interactions energy: -41.477 where: short stacking energy: -26.490 Base-Backbone interact. energy: -0.339 local terms energy: -45.989775 where: bonds (distance) C4'-P energy: -11.980 bonds (distance) P-C4' energy: -14.793 flat angles C4'-P-C4' energy: -4.566 flat angles P-C4'-P energy: -9.875 tors. eta vs tors. theta energy: -4.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -72.434576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.434576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.434576 (E_RNA) where: Base-Base interactions energy: -24.371 where: short stacking energy: -23.104 Base-Backbone interact. energy: -0.049 local terms energy: -48.014785 where: bonds (distance) C4'-P energy: -11.910 bonds (distance) P-C4' energy: -15.435 flat angles C4'-P-C4' energy: -14.716 flat angles P-C4'-P energy: -5.146 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: 1, replica: 2 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -209.226897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.226897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.226897 (E_RNA) where: Base-Base interactions energy: -141.252 where: short stacking energy: -66.274 Base-Backbone interact. energy: -0.052 local terms energy: -67.922910 where: bonds (distance) C4'-P energy: -16.799 bonds (distance) P-C4' energy: -14.127 flat angles C4'-P-C4' energy: -12.023 flat angles P-C4'-P energy: -11.762 tors. eta vs tors. theta energy: -13.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -172.197374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.197374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.197374 (E_RNA) where: Base-Base interactions energy: -109.693 where: short stacking energy: -50.732 Base-Backbone interact. energy: -0.087 local terms energy: -62.417638 where: bonds (distance) C4'-P energy: -15.967 bonds (distance) P-C4' energy: -15.035 flat angles C4'-P-C4' energy: -15.628 flat angles P-C4'-P energy: -6.514 tors. eta vs tors. theta energy: -9.274 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: 3 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -140.007203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.007203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.007203 (E_RNA) where: Base-Base interactions energy: -78.742 where: short stacking energy: -52.882 Base-Backbone interact. energy: -0.104 local terms energy: -61.161017 where: bonds (distance) C4'-P energy: -13.765 bonds (distance) P-C4' energy: -11.106 flat angles C4'-P-C4' energy: -14.599 flat angles P-C4'-P energy: -8.414 tors. eta vs tors. theta energy: -13.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -141.627819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.627819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.627819 (E_RNA) where: Base-Base interactions energy: -82.140 where: short stacking energy: -46.780 Base-Backbone interact. energy: -0.110 local terms energy: -59.378261 where: bonds (distance) C4'-P energy: -12.424 bonds (distance) P-C4' energy: -13.865 flat angles C4'-P-C4' energy: -14.455 flat angles P-C4'-P energy: -7.179 tors. eta vs tors. theta energy: -11.455 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: 5 Temperature: 1.100000 Total energy: -98.511891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.511891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.511891 (E_RNA) where: Base-Base interactions energy: -40.257 where: short stacking energy: -29.584 Base-Backbone interact. energy: -0.150 local terms energy: -58.105078 where: bonds (distance) C4'-P energy: -12.948 bonds (distance) P-C4' energy: -18.268 flat angles C4'-P-C4' energy: -13.957 flat angles P-C4'-P energy: -8.053 tors. eta vs tors. theta energy: -4.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -98.690379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.690379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.690379 (E_RNA) where: Base-Base interactions energy: -48.496 where: short stacking energy: -35.163 Base-Backbone interact. energy: -0.097 local terms energy: -50.097800 where: bonds (distance) C4'-P energy: -13.993 bonds (distance) P-C4' energy: -13.026 flat angles C4'-P-C4' energy: -5.801 flat angles P-C4'-P energy: -8.417 tors. eta vs tors. theta energy: -8.862 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: 6 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -91.186895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.186895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.186895 (E_RNA) where: Base-Base interactions energy: -35.676 where: short stacking energy: -33.864 Base-Backbone interact. energy: -0.235 local terms energy: -55.276150 where: bonds (distance) C4'-P energy: -14.088 bonds (distance) P-C4' energy: -14.036 flat angles C4'-P-C4' energy: -13.405 flat angles P-C4'-P energy: -2.384 tors. eta vs tors. theta energy: -11.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -86.736325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.736325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.736325 (E_RNA) where: Base-Base interactions energy: -30.216 where: short stacking energy: -29.364 Base-Backbone interact. energy: -0.102 local terms energy: -56.418405 where: bonds (distance) C4'-P energy: -11.205 bonds (distance) P-C4' energy: -14.470 flat angles C4'-P-C4' energy: -13.777 flat angles P-C4'-P energy: -8.004 tors. eta vs tors. theta energy: -8.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -84.963587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.963587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.963587 (E_RNA) where: Base-Base interactions energy: -36.755 where: short stacking energy: -28.706 Base-Backbone interact. energy: -0.244 local terms energy: -47.964033 where: bonds (distance) C4'-P energy: -12.362 bonds (distance) P-C4' energy: -13.867 flat angles C4'-P-C4' energy: -12.735 flat angles P-C4'-P energy: -7.741 tors. eta vs tors. theta energy: -1.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -68.553334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.553334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.553334 (E_RNA) where: Base-Base interactions energy: -25.639 where: short stacking energy: -20.799 Base-Backbone interact. energy: -0.010 local terms energy: -42.904798 where: bonds (distance) C4'-P energy: -11.581 bonds (distance) P-C4' energy: -12.360 flat angles C4'-P-C4' energy: -6.653 flat angles P-C4'-P energy: -10.952 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: 1, replica: 2 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -208.366305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.366305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.366305 (E_RNA) where: Base-Base interactions energy: -146.066 where: short stacking energy: -63.934 Base-Backbone interact. energy: -0.043 local terms energy: -62.256960 where: bonds (distance) C4'-P energy: -17.023 bonds (distance) P-C4' energy: -13.218 flat angles C4'-P-C4' energy: -14.250 flat angles P-C4'-P energy: -8.340 tors. eta vs tors. theta energy: -9.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -182.772355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.772355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.772355 (E_RNA) where: Base-Base interactions energy: -115.895 where: short stacking energy: -57.213 Base-Backbone interact. energy: -0.098 local terms energy: -66.779256 where: bonds (distance) C4'-P energy: -13.726 bonds (distance) P-C4' energy: -16.122 flat angles C4'-P-C4' energy: -14.672 flat angles P-C4'-P energy: -7.101 tors. eta vs tors. theta energy: -15.158 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: 4 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -142.118356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.118356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.118356 (E_RNA) where: Base-Base interactions energy: -82.460 where: short stacking energy: -45.244 Base-Backbone interact. energy: -1.406 local terms energy: -58.252420 where: bonds (distance) C4'-P energy: -12.349 bonds (distance) P-C4' energy: -13.760 flat angles C4'-P-C4' energy: -12.735 flat angles P-C4'-P energy: -10.241 tors. eta vs tors. theta energy: -9.167 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: 3 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -139.624291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.624291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.624291 (E_RNA) where: Base-Base interactions energy: -80.773 where: short stacking energy: -40.016 Base-Backbone interact. energy: -0.019 local terms energy: -58.832087 where: bonds (distance) C4'-P energy: -15.006 bonds (distance) P-C4' energy: -13.081 flat angles C4'-P-C4' energy: -15.589 flat angles P-C4'-P energy: -7.679 tors. eta vs tors. theta energy: -7.476 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: 9 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -105.830484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.830484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.830484 (E_RNA) where: Base-Base interactions energy: -48.593 where: short stacking energy: -48.593 Base-Backbone interact. energy: -0.016 local terms energy: -57.222007 where: bonds (distance) C4'-P energy: -11.425 bonds (distance) P-C4' energy: -13.536 flat angles C4'-P-C4' energy: -13.799 flat angles P-C4'-P energy: -11.206 tors. eta vs tors. theta energy: -7.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -100.209467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.209467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.209467 (E_RNA) where: Base-Base interactions energy: -39.806 where: short stacking energy: -40.506 Base-Backbone interact. energy: -0.542 local terms energy: -59.861000 where: bonds (distance) C4'-P energy: -16.100 bonds (distance) P-C4' energy: -9.625 flat angles C4'-P-C4' energy: -11.810 flat angles P-C4'-P energy: -10.147 tors. eta vs tors. theta energy: -12.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -91.261649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.261649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.261649 (E_RNA) where: Base-Base interactions energy: -36.894 where: short stacking energy: -27.140 Base-Backbone interact. energy: -0.124 local terms energy: -54.243768 where: bonds (distance) C4'-P energy: -11.881 bonds (distance) P-C4' energy: -16.683 flat angles C4'-P-C4' energy: -10.421 flat angles P-C4'-P energy: -9.125 tors. eta vs tors. theta energy: -6.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -100.520761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.520761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.520761 (E_RNA) where: Base-Base interactions energy: -46.975 where: short stacking energy: -41.562 Base-Backbone interact. energy: -0.055 local terms energy: -53.490783 where: bonds (distance) C4'-P energy: -10.151 bonds (distance) P-C4' energy: -16.197 flat angles C4'-P-C4' energy: -10.003 flat angles P-C4'-P energy: -7.860 tors. eta vs tors. theta energy: -9.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -69.558475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.558475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.558475 (E_RNA) where: Base-Base interactions energy: -23.217 where: short stacking energy: -23.517 Base-Backbone interact. energy: -0.222 local terms energy: -46.119353 where: bonds (distance) C4'-P energy: -8.718 bonds (distance) P-C4' energy: -15.296 flat angles C4'-P-C4' energy: -10.751 flat angles P-C4'-P energy: -8.955 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: 10, replica: 7 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -79.273856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.273856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.273856 (E_RNA) where: Base-Base interactions energy: -33.140 where: short stacking energy: -33.140 Base-Backbone interact. energy: 0.714 local terms energy: -46.847782 where: bonds (distance) C4'-P energy: -9.869 bonds (distance) P-C4' energy: -13.046 flat angles C4'-P-C4' energy: -11.893 flat angles P-C4'-P energy: -6.177 tors. eta vs tors. theta energy: -5.863 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: 2 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -205.229860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.229860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.229860 (E_RNA) where: Base-Base interactions energy: -132.886 where: short stacking energy: -68.145 Base-Backbone interact. energy: -0.044 local terms energy: -72.300047 where: bonds (distance) C4'-P energy: -12.974 bonds (distance) P-C4' energy: -15.136 flat angles C4'-P-C4' energy: -16.208 flat angles P-C4'-P energy: -11.787 tors. eta vs tors. theta energy: -16.195 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: 4 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -183.713071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.713071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.713071 (E_RNA) where: Base-Base interactions energy: -120.889 where: short stacking energy: -54.270 Base-Backbone interact. energy: -0.071 local terms energy: -62.753324 where: bonds (distance) C4'-P energy: -13.505 bonds (distance) P-C4' energy: -14.702 flat angles C4'-P-C4' energy: -11.569 flat angles P-C4'-P energy: -9.776 tors. eta vs tors. theta energy: -13.203 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: 1 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -176.123505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.123505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.123505 (E_RNA) where: Base-Base interactions energy: -108.440 where: short stacking energy: -54.829 Base-Backbone interact. energy: -0.191 local terms energy: -67.492779 where: bonds (distance) C4'-P energy: -14.551 bonds (distance) P-C4' energy: -13.052 flat angles C4'-P-C4' energy: -14.728 flat angles P-C4'-P energy: -9.926 tors. eta vs tors. theta energy: -15.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -112.063370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.063370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.063370 (E_RNA) where: Base-Base interactions energy: -54.078 where: short stacking energy: -39.029 Base-Backbone interact. energy: -0.390 local terms energy: -57.595140 where: bonds (distance) C4'-P energy: -13.156 bonds (distance) P-C4' energy: -14.867 flat angles C4'-P-C4' energy: -12.831 flat angles P-C4'-P energy: -10.397 tors. eta vs tors. theta energy: -6.343 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: 5, replica: 3 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -134.182236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.182236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.182236 (E_RNA) where: Base-Base interactions energy: -87.661 where: short stacking energy: -36.996 Base-Backbone interact. energy: -1.083 local terms energy: -45.438297 where: bonds (distance) C4'-P energy: -12.514 bonds (distance) P-C4' energy: -12.309 flat angles C4'-P-C4' energy: -11.064 flat angles P-C4'-P energy: -7.715 tors. eta vs tors. theta energy: -1.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -95.471879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.471879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.471879 (E_RNA) where: Base-Base interactions energy: -38.210 where: short stacking energy: -38.210 Base-Backbone interact. energy: -0.008 local terms energy: -57.254492 where: bonds (distance) C4'-P energy: -13.578 bonds (distance) P-C4' energy: -16.376 flat angles C4'-P-C4' energy: -15.420 flat angles P-C4'-P energy: -3.643 tors. eta vs tors. theta energy: -8.239 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: 7 Temperature: 1.200000 Total energy: -129.608643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.608643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.608643 (E_RNA) where: Base-Base interactions energy: -77.285 where: short stacking energy: -36.918 Base-Backbone interact. energy: -0.241 local terms energy: -52.082930 where: bonds (distance) C4'-P energy: -13.934 bonds (distance) P-C4' energy: -14.343 flat angles C4'-P-C4' energy: -11.170 flat angles P-C4'-P energy: -8.055 tors. eta vs tors. theta energy: -4.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -82.229286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.229286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.229286 (E_RNA) where: Base-Base interactions energy: -28.604 where: short stacking energy: -28.604 Base-Backbone interact. energy: 0.739 local terms energy: -54.364609 where: bonds (distance) C4'-P energy: -14.738 bonds (distance) P-C4' energy: -17.327 flat angles C4'-P-C4' energy: -10.528 flat angles P-C4'-P energy: -7.388 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: 9, replica: 6 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -94.700204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.700204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.700204 (E_RNA) where: Base-Base interactions energy: -41.856 where: short stacking energy: -30.271 Base-Backbone interact. energy: -0.004 local terms energy: -52.839611 where: bonds (distance) C4'-P energy: -11.109 bonds (distance) P-C4' energy: -15.466 flat angles C4'-P-C4' energy: -12.787 flat angles P-C4'-P energy: -10.372 tors. eta vs tors. theta energy: -3.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -86.292245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.292245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.292245 (E_RNA) where: Base-Base interactions energy: -47.262 where: short stacking energy: -43.891 Base-Backbone interact. energy: -0.104 local terms energy: -38.925867 where: bonds (distance) C4'-P energy: -9.070 bonds (distance) P-C4' energy: -12.757 flat angles C4'-P-C4' energy: -6.929 flat angles P-C4'-P energy: -0.608 tors. eta vs tors. theta energy: -9.561 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: 2 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -210.914729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.914729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.914729 (E_RNA) where: Base-Base interactions energy: -136.550 where: short stacking energy: -71.132 Base-Backbone interact. energy: -0.052 local terms energy: -74.313048 where: bonds (distance) C4'-P energy: -15.466 bonds (distance) P-C4' energy: -14.168 flat angles C4'-P-C4' energy: -17.263 flat angles P-C4'-P energy: -11.792 tors. eta vs tors. theta energy: -15.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -179.925719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.925719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.925719 (E_RNA) where: Base-Base interactions energy: -110.837 where: short stacking energy: -57.070 Base-Backbone interact. energy: -0.099 local terms energy: -68.990277 where: bonds (distance) C4'-P energy: -16.045 bonds (distance) P-C4' energy: -13.800 flat angles C4'-P-C4' energy: -15.279 flat angles P-C4'-P energy: -9.193 tors. eta vs tors. theta energy: -14.673 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: 1 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -176.059349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.059349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.059349 (E_RNA) where: Base-Base interactions energy: -108.863 where: short stacking energy: -56.716 Base-Backbone interact. energy: -0.015 local terms energy: -67.180886 where: bonds (distance) C4'-P energy: -13.574 bonds (distance) P-C4' energy: -12.863 flat angles C4'-P-C4' energy: -16.194 flat angles P-C4'-P energy: -9.460 tors. eta vs tors. theta energy: -15.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -141.581288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.581288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.581288 (E_RNA) where: Base-Base interactions energy: -85.713 where: short stacking energy: -42.017 Base-Backbone interact. energy: 1.972 local terms energy: -57.840808 where: bonds (distance) C4'-P energy: -9.873 bonds (distance) P-C4' energy: -15.174 flat angles C4'-P-C4' energy: -14.712 flat angles P-C4'-P energy: -7.705 tors. eta vs tors. theta energy: -10.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -135.947854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.947854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.947854 (E_RNA) where: Base-Base interactions energy: -80.651 where: short stacking energy: -42.066 Base-Backbone interact. energy: -1.086 local terms energy: -54.211538 where: bonds (distance) C4'-P energy: -11.029 bonds (distance) P-C4' energy: -13.217 flat angles C4'-P-C4' energy: -11.415 flat angles P-C4'-P energy: -11.805 tors. eta vs tors. theta energy: -6.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -118.667348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.667348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.667348 (E_RNA) where: Base-Base interactions energy: -55.516 where: short stacking energy: -54.735 Base-Backbone interact. energy: -0.006 local terms energy: -63.145283 where: bonds (distance) C4'-P energy: -13.409 bonds (distance) P-C4' energy: -11.975 flat angles C4'-P-C4' energy: -14.172 flat angles P-C4'-P energy: -8.508 tors. eta vs tors. theta energy: -15.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -131.521933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.521933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.521933 (E_RNA) where: Base-Base interactions energy: -79.919 where: short stacking energy: -30.568 Base-Backbone interact. energy: -0.185 local terms energy: -51.417091 where: bonds (distance) C4'-P energy: -11.158 bonds (distance) P-C4' energy: -15.628 flat angles C4'-P-C4' energy: -10.568 flat angles P-C4'-P energy: -8.359 tors. eta vs tors. theta energy: -5.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -85.403696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.403696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.403696 (E_RNA) where: Base-Base interactions energy: -33.890 where: short stacking energy: -33.890 Base-Backbone interact. energy: -0.049 local terms energy: -51.464599 where: bonds (distance) C4'-P energy: -12.360 bonds (distance) P-C4' energy: -13.477 flat angles C4'-P-C4' energy: -7.627 flat angles P-C4'-P energy: -8.011 tors. eta vs tors. theta energy: -9.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -87.903987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.903987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.903987 (E_RNA) where: Base-Base interactions energy: -33.853 where: short stacking energy: -27.310 Base-Backbone interact. energy: 0.119 local terms energy: -54.170567 where: bonds (distance) C4'-P energy: -12.465 bonds (distance) P-C4' energy: -13.522 flat angles C4'-P-C4' energy: -14.090 flat angles P-C4'-P energy: -9.461 tors. eta vs tors. theta energy: -4.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -84.033505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.033505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.033505 (E_RNA) where: Base-Base interactions energy: -38.171 where: short stacking energy: -25.526 Base-Backbone interact. energy: -0.536 local terms energy: -45.327006 where: bonds (distance) C4'-P energy: -15.681 bonds (distance) P-C4' energy: -14.413 flat angles C4'-P-C4' energy: -10.959 flat angles P-C4'-P energy: -3.058 tors. eta vs tors. theta energy: -1.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -203.947871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.947871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.947871 (E_RNA) where: Base-Base interactions energy: -132.535 where: short stacking energy: -66.451 Base-Backbone interact. energy: -0.654 local terms energy: -70.758781 where: bonds (distance) C4'-P energy: -12.714 bonds (distance) P-C4' energy: -16.086 flat angles C4'-P-C4' energy: -14.078 flat angles P-C4'-P energy: -11.652 tors. eta vs tors. theta energy: -16.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -194.820894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.820894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.820894 (E_RNA) where: Base-Base interactions energy: -125.831 where: short stacking energy: -61.559 Base-Backbone interact. energy: 1.150 local terms energy: -70.139373 where: bonds (distance) C4'-P energy: -12.572 bonds (distance) P-C4' energy: -12.855 flat angles C4'-P-C4' energy: -13.392 flat angles P-C4'-P energy: -12.473 tors. eta vs tors. theta energy: -18.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -183.134077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.134077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.134077 (E_RNA) where: Base-Base interactions energy: -114.184 where: short stacking energy: -59.960 Base-Backbone interact. energy: -0.091 local terms energy: -68.858972 where: bonds (distance) C4'-P energy: -15.869 bonds (distance) P-C4' energy: -14.346 flat angles C4'-P-C4' energy: -13.601 flat angles P-C4'-P energy: -9.412 tors. eta vs tors. theta energy: -15.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -166.931389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.931389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.931389 (E_RNA) where: Base-Base interactions energy: -99.997 where: short stacking energy: -45.847 Base-Backbone interact. energy: -0.069 local terms energy: -66.865478 where: bonds (distance) C4'-P energy: -17.122 bonds (distance) P-C4' energy: -12.935 flat angles C4'-P-C4' energy: -13.414 flat angles P-C4'-P energy: -10.877 tors. eta vs tors. theta energy: -12.517 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: 9 Temperature: 1.100000 Total energy: -127.925638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.925638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.925638 (E_RNA) where: Base-Base interactions energy: -71.056 where: short stacking energy: -40.657 Base-Backbone interact. energy: -0.106 local terms energy: -56.763677 where: bonds (distance) C4'-P energy: -14.703 bonds (distance) P-C4' energy: -14.385 flat angles C4'-P-C4' energy: -14.716 flat angles P-C4'-P energy: -5.332 tors. eta vs tors. theta energy: -7.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -163.717869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.717869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.717869 (E_RNA) where: Base-Base interactions energy: -106.347 where: short stacking energy: -55.197 Base-Backbone interact. energy: 0.349 local terms energy: -57.719837 where: bonds (distance) C4'-P energy: -11.992 bonds (distance) P-C4' energy: -14.169 flat angles C4'-P-C4' energy: -13.152 flat angles P-C4'-P energy: -8.854 tors. eta vs tors. theta energy: -9.553 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: 5 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -96.085295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.085295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.085295 (E_RNA) where: Base-Base interactions energy: -36.424 where: short stacking energy: -36.424 Base-Backbone interact. energy: 0.706 local terms energy: -60.367310 where: bonds (distance) C4'-P energy: -13.553 bonds (distance) P-C4' energy: -15.499 flat angles C4'-P-C4' energy: -14.598 flat angles P-C4'-P energy: -7.858 tors. eta vs tors. theta energy: -8.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -95.719253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.719253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.719253 (E_RNA) where: Base-Base interactions energy: -48.218 where: short stacking energy: -24.213 Base-Backbone interact. energy: 0.461 local terms energy: -47.962135 where: bonds (distance) C4'-P energy: -12.238 bonds (distance) P-C4' energy: -16.312 flat angles C4'-P-C4' energy: -13.115 flat angles P-C4'-P energy: -5.200 tors. eta vs tors. theta energy: -1.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -83.469435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.469435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.469435 (E_RNA) where: Base-Base interactions energy: -34.727 where: short stacking energy: -33.849 Base-Backbone interact. energy: 0.259 local terms energy: -49.001085 where: bonds (distance) C4'-P energy: -13.905 bonds (distance) P-C4' energy: -11.417 flat angles C4'-P-C4' energy: -10.660 flat angles P-C4'-P energy: -8.755 tors. eta vs tors. theta energy: -4.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -78.733687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.733687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.733687 (E_RNA) where: Base-Base interactions energy: -36.992 where: short stacking energy: -22.591 Base-Backbone interact. energy: -0.250 local terms energy: -41.492284 where: bonds (distance) C4'-P energy: -10.796 bonds (distance) P-C4' energy: -13.209 flat angles C4'-P-C4' energy: -11.516 flat angles P-C4'-P energy: -6.862 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: 4 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -202.921414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.921414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.921414 (E_RNA) where: Base-Base interactions energy: -146.153 where: short stacking energy: -56.430 Base-Backbone interact. energy: -0.290 local terms energy: -56.478458 where: bonds (distance) C4'-P energy: -12.733 bonds (distance) P-C4' energy: -15.640 flat angles C4'-P-C4' energy: -10.846 flat angles P-C4'-P energy: -4.144 tors. eta vs tors. theta energy: -13.116 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: 10 Temperature: 0.950000 Total energy: -205.989856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.989856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.989856 (E_RNA) where: Base-Base interactions energy: -132.759 where: short stacking energy: -66.389 Base-Backbone interact. energy: -0.063 local terms energy: -73.167826 where: bonds (distance) C4'-P energy: -16.319 bonds (distance) P-C4' energy: -13.542 flat angles C4'-P-C4' energy: -16.049 flat angles P-C4'-P energy: -9.797 tors. eta vs tors. theta energy: -17.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -191.824203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.824203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.824203 (E_RNA) where: Base-Base interactions energy: -123.606 where: short stacking energy: -65.156 Base-Backbone interact. energy: -0.051 local terms energy: -68.167071 where: bonds (distance) C4'-P energy: -14.542 bonds (distance) P-C4' energy: -11.713 flat angles C4'-P-C4' energy: -14.211 flat angles P-C4'-P energy: -9.694 tors. eta vs tors. theta energy: -18.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -178.726822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.726822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.726822 (E_RNA) where: Base-Base interactions energy: -111.841 where: short stacking energy: -48.154 Base-Backbone interact. energy: 0.732 local terms energy: -67.617785 where: bonds (distance) C4'-P energy: -14.477 bonds (distance) P-C4' energy: -14.370 flat angles C4'-P-C4' energy: -15.160 flat angles P-C4'-P energy: -9.288 tors. eta vs tors. theta energy: -14.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -172.715742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.715742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.715742 (E_RNA) where: Base-Base interactions energy: -113.719 where: short stacking energy: -57.014 Base-Backbone interact. energy: -0.086 local terms energy: -58.910185 where: bonds (distance) C4'-P energy: -13.677 bonds (distance) P-C4' energy: -7.921 flat angles C4'-P-C4' energy: -16.560 flat angles P-C4'-P energy: -7.167 tors. eta vs tors. theta energy: -13.586 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: 3 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -93.659045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.659045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.659045 (E_RNA) where: Base-Base interactions energy: -39.220 where: short stacking energy: -29.441 Base-Backbone interact. energy: -0.182 local terms energy: -54.257396 where: bonds (distance) C4'-P energy: -15.156 bonds (distance) P-C4' energy: -8.755 flat angles C4'-P-C4' energy: -13.864 flat angles P-C4'-P energy: -10.369 tors. eta vs tors. theta energy: -6.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -121.577196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.577196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.577196 (E_RNA) where: Base-Base interactions energy: -61.067 where: short stacking energy: -35.079 Base-Backbone interact. energy: 0.065 local terms energy: -60.575234 where: bonds (distance) C4'-P energy: -13.773 bonds (distance) P-C4' energy: -14.780 flat angles C4'-P-C4' energy: -13.056 flat angles P-C4'-P energy: -9.764 tors. eta vs tors. theta energy: -9.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -90.703692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.703692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.703692 (E_RNA) where: Base-Base interactions energy: -31.690 where: short stacking energy: -28.709 Base-Backbone interact. energy: 0.570 local terms energy: -59.583470 where: bonds (distance) C4'-P energy: -14.865 bonds (distance) P-C4' energy: -18.504 flat angles C4'-P-C4' energy: -13.858 flat angles P-C4'-P energy: -8.860 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: 9, replica: 6 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -90.666832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.666832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.666832 (E_RNA) where: Base-Base interactions energy: -45.689 where: short stacking energy: -37.423 Base-Backbone interact. energy: -0.022 local terms energy: -44.956206 where: bonds (distance) C4'-P energy: -8.647 bonds (distance) P-C4' energy: -11.237 flat angles C4'-P-C4' energy: -12.986 flat angles P-C4'-P energy: -6.455 tors. eta vs tors. theta energy: -5.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -78.839135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.839135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.839135 (E_RNA) where: Base-Base interactions energy: -31.318 where: short stacking energy: -31.318 Base-Backbone interact. energy: -0.095 local terms energy: -47.426563 where: bonds (distance) C4'-P energy: -14.063 bonds (distance) P-C4' energy: -11.364 flat angles C4'-P-C4' energy: -10.830 flat angles P-C4'-P energy: -6.576 tors. eta vs tors. theta energy: -4.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -203.875577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.875577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.875577 (E_RNA) where: Base-Base interactions energy: -134.711 where: short stacking energy: -61.979 Base-Backbone interact. energy: -0.078 local terms energy: -69.087436 where: bonds (distance) C4'-P energy: -14.386 bonds (distance) P-C4' energy: -16.700 flat angles C4'-P-C4' energy: -14.986 flat angles P-C4'-P energy: -7.391 tors. eta vs tors. theta energy: -15.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -208.604563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.604563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.604563 (E_RNA) where: Base-Base interactions energy: -138.096 where: short stacking energy: -69.976 Base-Backbone interact. energy: -0.128 local terms energy: -70.380603 where: bonds (distance) C4'-P energy: -12.599 bonds (distance) P-C4' energy: -16.470 flat angles C4'-P-C4' energy: -15.324 flat angles P-C4'-P energy: -7.655 tors. eta vs tors. theta energy: -18.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -189.003784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.003784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.003784 (E_RNA) where: Base-Base interactions energy: -119.065 where: short stacking energy: -53.717 Base-Backbone interact. energy: -0.478 local terms energy: -69.460810 where: bonds (distance) C4'-P energy: -12.344 bonds (distance) P-C4' energy: -18.022 flat angles C4'-P-C4' energy: -13.341 flat angles P-C4'-P energy: -10.727 tors. eta vs tors. theta energy: -15.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -185.842254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.842254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.842254 (E_RNA) where: Base-Base interactions energy: -121.059 where: short stacking energy: -51.936 Base-Backbone interact. energy: -0.774 local terms energy: -64.009519 where: bonds (distance) C4'-P energy: -11.240 bonds (distance) P-C4' energy: -15.819 flat angles C4'-P-C4' energy: -13.351 flat angles P-C4'-P energy: -11.549 tors. eta vs tors. theta energy: -12.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -168.937854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.937854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.937854 (E_RNA) where: Base-Base interactions energy: -111.100 where: short stacking energy: -43.581 Base-Backbone interact. energy: -0.250 local terms energy: -57.587790 where: bonds (distance) C4'-P energy: -13.291 bonds (distance) P-C4' energy: -13.741 flat angles C4'-P-C4' energy: -10.845 flat angles P-C4'-P energy: -10.838 tors. eta vs tors. theta energy: -8.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -97.080984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.080984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.080984 (E_RNA) where: Base-Base interactions energy: -43.202 where: short stacking energy: -31.750 Base-Backbone interact. energy: -0.074 local terms energy: -53.804447 where: bonds (distance) C4'-P energy: -12.372 bonds (distance) P-C4' energy: -15.250 flat angles C4'-P-C4' energy: -12.878 flat angles P-C4'-P energy: -10.446 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: 7, replica: 3 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -124.388253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.388253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.388253 (E_RNA) where: Base-Base interactions energy: -71.489 where: short stacking energy: -33.949 Base-Backbone interact. energy: -0.205 local terms energy: -52.694845 where: bonds (distance) C4'-P energy: -15.147 bonds (distance) P-C4' energy: -15.494 flat angles C4'-P-C4' energy: -8.815 flat angles P-C4'-P energy: -7.271 tors. eta vs tors. theta energy: -5.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -162.564650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.564650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.564650 (E_RNA) where: Base-Base interactions energy: -109.476 where: short stacking energy: -50.022 Base-Backbone interact. energy: -0.177 local terms energy: -52.911741 where: bonds (distance) C4'-P energy: -10.937 bonds (distance) P-C4' energy: -10.583 flat angles C4'-P-C4' energy: -10.377 flat angles P-C4'-P energy: -7.631 tors. eta vs tors. theta energy: -13.384 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: 11 Temperature: 1.300000 Total energy: -82.152323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.152323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.152323 (E_RNA) where: Base-Base interactions energy: -33.199 where: short stacking energy: -28.294 Base-Backbone interact. energy: -0.488 local terms energy: -48.465457 where: bonds (distance) C4'-P energy: -11.334 bonds (distance) P-C4' energy: -14.875 flat angles C4'-P-C4' energy: -10.139 flat angles P-C4'-P energy: -9.178 tors. eta vs tors. theta energy: -2.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -75.858327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.858327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.858327 (E_RNA) where: Base-Base interactions energy: -32.111 where: short stacking energy: -28.528 Base-Backbone interact. energy: 0.888 local terms energy: -44.635447 where: bonds (distance) C4'-P energy: -10.576 bonds (distance) P-C4' energy: -10.868 flat angles C4'-P-C4' energy: -14.247 flat angles P-C4'-P energy: -6.132 tors. eta vs tors. theta energy: -2.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -211.663349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.663349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.663349 (E_RNA) where: Base-Base interactions energy: -141.209 where: short stacking energy: -70.373 Base-Backbone interact. energy: -0.016 local terms energy: -70.437762 where: bonds (distance) C4'-P energy: -14.050 bonds (distance) P-C4' energy: -14.684 flat angles C4'-P-C4' energy: -11.582 flat angles P-C4'-P energy: -9.999 tors. eta vs tors. theta energy: -20.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -202.470374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.470374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.470374 (E_RNA) where: Base-Base interactions energy: -132.502 where: short stacking energy: -66.990 Base-Backbone interact. energy: -0.188 local terms energy: -69.780186 where: bonds (distance) C4'-P energy: -15.428 bonds (distance) P-C4' energy: -14.169 flat angles C4'-P-C4' energy: -16.098 flat angles P-C4'-P energy: -8.912 tors. eta vs tors. theta energy: -15.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -199.177186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.177186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.177186 (E_RNA) where: Base-Base interactions energy: -128.895 where: short stacking energy: -64.180 Base-Backbone interact. energy: 0.398 local terms energy: -70.680045 where: bonds (distance) C4'-P energy: -12.353 bonds (distance) P-C4' energy: -12.913 flat angles C4'-P-C4' energy: -15.836 flat angles P-C4'-P energy: -12.099 tors. eta vs tors. theta energy: -17.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -198.926763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.926763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.926763 (E_RNA) where: Base-Base interactions energy: -126.362 where: short stacking energy: -60.581 Base-Backbone interact. energy: -1.291 local terms energy: -71.273324 where: bonds (distance) C4'-P energy: -15.300 bonds (distance) P-C4' energy: -14.153 flat angles C4'-P-C4' energy: -16.300 flat angles P-C4'-P energy: -8.790 tors. eta vs tors. theta energy: -16.730 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: 7 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -109.351135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.351135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.351135 (E_RNA) where: Base-Base interactions energy: -51.119 where: short stacking energy: -46.435 Base-Backbone interact. energy: -0.165 local terms energy: -58.067617 where: bonds (distance) C4'-P energy: -15.500 bonds (distance) P-C4' energy: -13.831 flat angles C4'-P-C4' energy: -12.041 flat angles P-C4'-P energy: -4.047 tors. eta vs tors. theta energy: -12.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -160.354042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.354042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.354042 (E_RNA) where: Base-Base interactions energy: -111.835 where: short stacking energy: -44.631 Base-Backbone interact. energy: -0.518 local terms energy: -48.000959 where: bonds (distance) C4'-P energy: -12.804 bonds (distance) P-C4' energy: -14.113 flat angles C4'-P-C4' energy: -6.106 flat angles P-C4'-P energy: -3.888 tors. eta vs tors. theta energy: -11.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -166.141939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.141939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.141939 (E_RNA) where: Base-Base interactions energy: -111.643 where: short stacking energy: -46.640 Base-Backbone interact. energy: -0.263 local terms energy: -54.236197 where: bonds (distance) C4'-P energy: -11.777 bonds (distance) P-C4' energy: -15.800 flat angles C4'-P-C4' energy: -12.552 flat angles P-C4'-P energy: -7.027 tors. eta vs tors. theta energy: -7.080 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: 3 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -123.335175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.335175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.335175 (E_RNA) where: Base-Base interactions energy: -73.665 where: short stacking energy: -36.813 Base-Backbone interact. energy: -0.755 local terms energy: -48.915240 where: bonds (distance) C4'-P energy: -13.462 bonds (distance) P-C4' energy: -9.620 flat angles C4'-P-C4' energy: -12.760 flat angles P-C4'-P energy: -7.268 tors. eta vs tors. theta energy: -5.805 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: 8 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -74.781576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.781576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.781576 (E_RNA) where: Base-Base interactions energy: -26.252 where: short stacking energy: -25.472 Base-Backbone interact. energy: -0.184 local terms energy: -48.345471 where: bonds (distance) C4'-P energy: -16.269 bonds (distance) P-C4' energy: -11.725 flat angles C4'-P-C4' energy: -10.137 flat angles P-C4'-P energy: -10.785 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: 6 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -75.444021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.444021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.444021 (E_RNA) where: Base-Base interactions energy: -24.099 where: short stacking energy: -23.460 Base-Backbone interact. energy: -0.248 local terms energy: -51.096925 where: bonds (distance) C4'-P energy: -7.982 bonds (distance) P-C4' energy: -12.529 flat angles C4'-P-C4' energy: -13.827 flat angles P-C4'-P energy: -9.659 tors. eta vs tors. theta energy: -7.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -211.437895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.437895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.437895 (E_RNA) where: Base-Base interactions energy: -140.967 where: short stacking energy: -72.247 Base-Backbone interact. energy: -0.109 local terms energy: -70.361243 where: bonds (distance) C4'-P energy: -13.884 bonds (distance) P-C4' energy: -12.211 flat angles C4'-P-C4' energy: -12.970 flat angles P-C4'-P energy: -11.251 tors. eta vs tors. theta energy: -20.044 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: 1 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -205.281718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.281718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.281718 (E_RNA) where: Base-Base interactions energy: -133.203 where: short stacking energy: -65.383 Base-Backbone interact. energy: -0.908 local terms energy: -71.170941 where: bonds (distance) C4'-P energy: -10.709 bonds (distance) P-C4' energy: -15.207 flat angles C4'-P-C4' energy: -14.032 flat angles P-C4'-P energy: -11.851 tors. eta vs tors. theta energy: -19.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -186.554431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.554431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.554431 (E_RNA) where: Base-Base interactions energy: -120.902 where: short stacking energy: -57.766 Base-Backbone interact. energy: -0.331 local terms energy: -65.321458 where: bonds (distance) C4'-P energy: -12.927 bonds (distance) P-C4' energy: -16.322 flat angles C4'-P-C4' energy: -10.958 flat angles P-C4'-P energy: -8.672 tors. eta vs tors. theta energy: -16.442 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: 9 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -202.007008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.007008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.007008 (E_RNA) where: Base-Base interactions energy: -131.535 where: short stacking energy: -67.310 Base-Backbone interact. energy: -0.009 local terms energy: -70.462979 where: bonds (distance) C4'-P energy: -16.567 bonds (distance) P-C4' energy: -10.383 flat angles C4'-P-C4' energy: -16.172 flat angles P-C4'-P energy: -8.076 tors. eta vs tors. theta energy: -19.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -125.198344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.198344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.198344 (E_RNA) where: Base-Base interactions energy: -74.866 where: short stacking energy: -32.869 Base-Backbone interact. energy: -0.016 local terms energy: -50.316058 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -12.393 flat angles C4'-P-C4' energy: -13.197 flat angles P-C4'-P energy: -7.756 tors. eta vs tors. theta energy: -8.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -175.489411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.489411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.489411 (E_RNA) where: Base-Base interactions energy: -113.027 where: short stacking energy: -45.429 Base-Backbone interact. energy: -0.812 local terms energy: -61.650502 where: bonds (distance) C4'-P energy: -14.997 bonds (distance) P-C4' energy: -15.731 flat angles C4'-P-C4' energy: -12.761 flat angles P-C4'-P energy: -6.089 tors. eta vs tors. theta energy: -12.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -171.787353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.787353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.787353 (E_RNA) where: Base-Base interactions energy: -116.628 where: short stacking energy: -44.967 Base-Backbone interact. energy: -0.314 local terms energy: -54.845299 where: bonds (distance) C4'-P energy: -15.558 bonds (distance) P-C4' energy: -11.971 flat angles C4'-P-C4' energy: -3.183 flat angles P-C4'-P energy: -11.523 tors. eta vs tors. theta energy: -12.610 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: 3 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -115.364718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.364718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.364718 (E_RNA) where: Base-Base interactions energy: -65.381 where: short stacking energy: -38.821 Base-Backbone interact. energy: -0.284 local terms energy: -49.699622 where: bonds (distance) C4'-P energy: -8.945 bonds (distance) P-C4' energy: -11.727 flat angles C4'-P-C4' energy: -12.975 flat angles P-C4'-P energy: -8.498 tors. eta vs tors. theta energy: -7.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -87.357650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.357650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.357650 (E_RNA) where: Base-Base interactions energy: -38.663 where: short stacking energy: -34.687 Base-Backbone interact. energy: -0.149 local terms energy: -48.545554 where: bonds (distance) C4'-P energy: -8.499 bonds (distance) P-C4' energy: -16.446 flat angles C4'-P-C4' energy: -13.521 flat angles P-C4'-P energy: -5.736 tors. eta vs tors. theta energy: -4.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -85.487533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.487533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.487533 (E_RNA) where: Base-Base interactions energy: -32.650 where: short stacking energy: -27.400 Base-Backbone interact. energy: -0.183 local terms energy: -52.654835 where: bonds (distance) C4'-P energy: -13.437 bonds (distance) P-C4' energy: -12.795 flat angles C4'-P-C4' energy: -14.338 flat angles P-C4'-P energy: -8.375 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: 1, replica: 2 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -211.915002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.915002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.915002 (E_RNA) where: Base-Base interactions energy: -136.825 where: short stacking energy: -67.953 Base-Backbone interact. energy: -0.090 local terms energy: -75.000443 where: bonds (distance) C4'-P energy: -15.735 bonds (distance) P-C4' energy: -17.290 flat angles C4'-P-C4' energy: -15.631 flat angles P-C4'-P energy: -6.747 tors. eta vs tors. theta energy: -19.597 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: 1 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -200.369077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.369077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.369077 (E_RNA) where: Base-Base interactions energy: -131.772 where: short stacking energy: -65.715 Base-Backbone interact. energy: -0.231 local terms energy: -68.366201 where: bonds (distance) C4'-P energy: -13.503 bonds (distance) P-C4' energy: -17.031 flat angles C4'-P-C4' energy: -13.538 flat angles P-C4'-P energy: -8.897 tors. eta vs tors. theta energy: -15.397 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: 14 Temperature: 1.000000 Total energy: -207.113507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.113507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.113507 (E_RNA) where: Base-Base interactions energy: -136.239 where: short stacking energy: -64.583 Base-Backbone interact. energy: -1.495 local terms energy: -69.379552 where: bonds (distance) C4'-P energy: -10.522 bonds (distance) P-C4' energy: -12.617 flat angles C4'-P-C4' energy: -16.193 flat angles P-C4'-P energy: -10.195 tors. eta vs tors. theta energy: -19.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -182.606253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.606253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.606253 (E_RNA) where: Base-Base interactions energy: -111.897 where: short stacking energy: -51.954 Base-Backbone interact. energy: -0.401 local terms energy: -70.308099 where: bonds (distance) C4'-P energy: -15.388 bonds (distance) P-C4' energy: -14.730 flat angles C4'-P-C4' energy: -14.986 flat angles P-C4'-P energy: -11.623 tors. eta vs tors. theta energy: -13.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -169.031058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.031058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.031058 (E_RNA) where: Base-Base interactions energy: -109.111 where: short stacking energy: -43.903 Base-Backbone interact. energy: 1.193 local terms energy: -61.112727 where: bonds (distance) C4'-P energy: -12.366 bonds (distance) P-C4' energy: -14.751 flat angles C4'-P-C4' energy: -14.289 flat angles P-C4'-P energy: -7.081 tors. eta vs tors. theta energy: -12.626 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: 7 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -104.814017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.814017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.814017 (E_RNA) where: Base-Base interactions energy: -62.171 where: short stacking energy: -45.905 Base-Backbone interact. energy: -0.092 local terms energy: -42.551189 where: bonds (distance) C4'-P energy: -9.078 bonds (distance) P-C4' energy: -9.589 flat angles C4'-P-C4' energy: -7.881 flat angles P-C4'-P energy: -9.476 tors. eta vs tors. theta energy: -6.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -178.018926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.018926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.018926 (E_RNA) where: Base-Base interactions energy: -122.658 where: short stacking energy: -47.451 Base-Backbone interact. energy: -0.195 local terms energy: -55.166100 where: bonds (distance) C4'-P energy: -12.174 bonds (distance) P-C4' energy: -14.226 flat angles C4'-P-C4' energy: -9.634 flat angles P-C4'-P energy: -10.203 tors. eta vs tors. theta energy: -8.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -126.475568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.475568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.475568 (E_RNA) where: Base-Base interactions energy: -76.814 where: short stacking energy: -42.516 Base-Backbone interact. energy: -0.352 local terms energy: -49.309533 where: bonds (distance) C4'-P energy: -6.437 bonds (distance) P-C4' energy: -12.040 flat angles C4'-P-C4' energy: -11.984 flat angles P-C4'-P energy: -11.236 tors. eta vs tors. theta energy: -7.614 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: 6 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -81.051423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.051423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.051423 (E_RNA) where: Base-Base interactions energy: -32.942 where: short stacking energy: -31.520 Base-Backbone interact. energy: -0.091 local terms energy: -48.018083 where: bonds (distance) C4'-P energy: -13.383 bonds (distance) P-C4' energy: -11.656 flat angles C4'-P-C4' energy: -12.914 flat angles P-C4'-P energy: -8.489 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: 10, replica: 8 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -75.814990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.814990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.814990 (E_RNA) where: Base-Base interactions energy: -30.662 where: short stacking energy: -20.766 Base-Backbone interact. energy: -0.055 local terms energy: -45.098621 where: bonds (distance) C4'-P energy: -11.003 bonds (distance) P-C4' energy: -13.746 flat angles C4'-P-C4' energy: -7.696 flat angles P-C4'-P energy: -6.926 tors. eta vs tors. theta energy: -5.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -214.557491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.557491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.557491 (E_RNA) where: Base-Base interactions energy: -138.940 where: short stacking energy: -64.736 Base-Backbone interact. energy: -2.441 local terms energy: -73.176456 where: bonds (distance) C4'-P energy: -13.914 bonds (distance) P-C4' energy: -17.047 flat angles C4'-P-C4' energy: -11.828 flat angles P-C4'-P energy: -11.029 tors. eta vs tors. theta energy: -19.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -213.588185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.588185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.588185 (E_RNA) where: Base-Base interactions energy: -138.738 where: short stacking energy: -69.582 Base-Backbone interact. energy: -1.125 local terms energy: -73.725990 where: bonds (distance) C4'-P energy: -9.271 bonds (distance) P-C4' energy: -15.988 flat angles C4'-P-C4' energy: -15.978 flat angles P-C4'-P energy: -12.028 tors. eta vs tors. theta energy: -20.461 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: 1 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -202.698755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.698755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.698755 (E_RNA) where: Base-Base interactions energy: -134.880 where: short stacking energy: -63.603 Base-Backbone interact. energy: -0.003 local terms energy: -67.816295 where: bonds (distance) C4'-P energy: -12.721 bonds (distance) P-C4' energy: -11.488 flat angles C4'-P-C4' energy: -15.708 flat angles P-C4'-P energy: -10.690 tors. eta vs tors. theta energy: -17.209 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: 4 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -181.263981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.263981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.263981 (E_RNA) where: Base-Base interactions energy: -111.658 where: short stacking energy: -54.479 Base-Backbone interact. energy: -0.326 local terms energy: -69.279741 where: bonds (distance) C4'-P energy: -12.676 bonds (distance) P-C4' energy: -17.262 flat angles C4'-P-C4' energy: -13.012 flat angles P-C4'-P energy: -12.247 tors. eta vs tors. theta energy: -14.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -176.437636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.437636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.437636 (E_RNA) where: Base-Base interactions energy: -111.132 where: short stacking energy: -55.588 Base-Backbone interact. energy: -0.026 local terms energy: -65.279267 where: bonds (distance) C4'-P energy: -11.234 bonds (distance) P-C4' energy: -13.381 flat angles C4'-P-C4' energy: -12.523 flat angles P-C4'-P energy: -11.048 tors. eta vs tors. theta energy: -17.094 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: 10 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -167.466181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.466181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.466181 (E_RNA) where: Base-Base interactions energy: -109.839 where: short stacking energy: -54.560 Base-Backbone interact. energy: -0.078 local terms energy: -57.548546 where: bonds (distance) C4'-P energy: -10.428 bonds (distance) P-C4' energy: -17.262 flat angles C4'-P-C4' energy: -11.024 flat angles P-C4'-P energy: -6.491 tors. eta vs tors. theta energy: -12.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -109.842829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.842829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.842829 (E_RNA) where: Base-Base interactions energy: -46.163 where: short stacking energy: -44.473 Base-Backbone interact. energy: -0.333 local terms energy: -63.346679 where: bonds (distance) C4'-P energy: -15.094 bonds (distance) P-C4' energy: -11.843 flat angles C4'-P-C4' energy: -15.819 flat angles P-C4'-P energy: -8.944 tors. eta vs tors. theta energy: -11.647 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: 3 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -136.215482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.215482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.215482 (E_RNA) where: Base-Base interactions energy: -91.140 where: short stacking energy: -49.987 Base-Backbone interact. energy: -0.186 local terms energy: -44.889049 where: bonds (distance) C4'-P energy: -5.676 bonds (distance) P-C4' energy: -13.289 flat angles C4'-P-C4' energy: -12.429 flat angles P-C4'-P energy: -4.723 tors. eta vs tors. theta energy: -8.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -80.604572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.604572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.604572 (E_RNA) where: Base-Base interactions energy: -31.125 where: short stacking energy: -31.025 Base-Backbone interact. energy: -0.094 local terms energy: -49.385091 where: bonds (distance) C4'-P energy: -11.206 bonds (distance) P-C4' energy: -13.557 flat angles C4'-P-C4' energy: -14.061 flat angles P-C4'-P energy: -7.096 tors. eta vs tors. theta energy: -3.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -99.523344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.523344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.523344 (E_RNA) where: Base-Base interactions energy: -52.772 where: short stacking energy: -32.071 Base-Backbone interact. energy: -0.530 local terms energy: -46.221026 where: bonds (distance) C4'-P energy: -9.550 bonds (distance) P-C4' energy: -14.054 flat angles C4'-P-C4' energy: -12.303 flat angles P-C4'-P energy: -4.689 tors. eta vs tors. theta energy: -5.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -211.801229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.801229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.801229 (E_RNA) where: Base-Base interactions energy: -142.857 where: short stacking energy: -67.177 Base-Backbone interact. energy: 0.636 local terms energy: -69.580885 where: bonds (distance) C4'-P energy: -13.573 bonds (distance) P-C4' energy: -15.600 flat angles C4'-P-C4' energy: -13.120 flat angles P-C4'-P energy: -7.829 tors. eta vs tors. theta energy: -19.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -214.471725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.471725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.471725 (E_RNA) where: Base-Base interactions energy: -139.408 where: short stacking energy: -66.843 Base-Backbone interact. energy: -0.460 local terms energy: -74.604365 where: bonds (distance) C4'-P energy: -12.746 bonds (distance) P-C4' energy: -14.476 flat angles C4'-P-C4' energy: -15.110 flat angles P-C4'-P energy: -12.644 tors. eta vs tors. theta energy: -19.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -196.522138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.522138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.522138 (E_RNA) where: Base-Base interactions energy: -125.861 where: short stacking energy: -56.657 Base-Backbone interact. energy: -0.022 local terms energy: -70.638363 where: bonds (distance) C4'-P energy: -13.826 bonds (distance) P-C4' energy: -14.766 flat angles C4'-P-C4' energy: -15.626 flat angles P-C4'-P energy: -11.290 tors. eta vs tors. theta energy: -15.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -182.983866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.983866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.983866 (E_RNA) where: Base-Base interactions energy: -112.130 where: short stacking energy: -60.080 Base-Backbone interact. energy: 0.011 local terms energy: -70.864162 where: bonds (distance) C4'-P energy: -13.257 bonds (distance) P-C4' energy: -14.026 flat angles C4'-P-C4' energy: -14.626 flat angles P-C4'-P energy: -10.078 tors. eta vs tors. theta energy: -18.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -174.533636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.533636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.533636 (E_RNA) where: Base-Base interactions energy: -114.954 where: short stacking energy: -52.562 Base-Backbone interact. energy: -0.177 local terms energy: -59.402122 where: bonds (distance) C4'-P energy: -12.940 bonds (distance) P-C4' energy: -15.551 flat angles C4'-P-C4' energy: -13.913 flat angles P-C4'-P energy: -5.357 tors. eta vs tors. theta energy: -11.640 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: 5 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -171.734653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.734653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.734653 (E_RNA) where: Base-Base interactions energy: -103.579 where: short stacking energy: -53.958 Base-Backbone interact. energy: -0.301 local terms energy: -67.854697 where: bonds (distance) C4'-P energy: -15.983 bonds (distance) P-C4' energy: -14.376 flat angles C4'-P-C4' energy: -15.859 flat angles P-C4'-P energy: -9.694 tors. eta vs tors. theta energy: -11.942 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: 3 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -151.833562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.833562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.833562 (E_RNA) where: Base-Base interactions energy: -96.061 where: short stacking energy: -55.531 Base-Backbone interact. energy: -0.099 local terms energy: -55.672734 where: bonds (distance) C4'-P energy: -13.056 bonds (distance) P-C4' energy: -10.783 flat angles C4'-P-C4' energy: -11.479 flat angles P-C4'-P energy: -8.701 tors. eta vs tors. theta energy: -11.653 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: 7 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -84.738378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.738378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.738378 (E_RNA) where: Base-Base interactions energy: -43.079 where: short stacking energy: -29.511 Base-Backbone interact. energy: -0.267 local terms energy: -41.392450 where: bonds (distance) C4'-P energy: -9.769 bonds (distance) P-C4' energy: -17.535 flat angles C4'-P-C4' energy: -12.979 flat angles P-C4'-P energy: -2.559 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: 8 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -133.514546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.514546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.514546 (E_RNA) where: Base-Base interactions energy: -86.157 where: short stacking energy: -46.291 Base-Backbone interact. energy: 0.539 local terms energy: -47.896329 where: bonds (distance) C4'-P energy: -10.461 bonds (distance) P-C4' energy: -12.064 flat angles C4'-P-C4' energy: -10.221 flat angles P-C4'-P energy: -5.339 tors. eta vs tors. theta energy: -9.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -93.390258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.390258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.390258 (E_RNA) where: Base-Base interactions energy: -42.695 where: short stacking energy: -25.504 Base-Backbone interact. energy: -0.086 local terms energy: -50.609051 where: bonds (distance) C4'-P energy: -11.968 bonds (distance) P-C4' energy: -12.579 flat angles C4'-P-C4' energy: -12.415 flat angles P-C4'-P energy: -8.767 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: 1, replica: 9 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -213.629880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.629880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.629880 (E_RNA) where: Base-Base interactions energy: -143.113 where: short stacking energy: -74.515 Base-Backbone interact. energy: -0.000 local terms energy: -70.516431 where: bonds (distance) C4'-P energy: -11.981 bonds (distance) P-C4' energy: -16.181 flat angles C4'-P-C4' energy: -16.447 flat angles P-C4'-P energy: -7.269 tors. eta vs tors. theta energy: -18.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -209.345286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.345286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.345286 (E_RNA) where: Base-Base interactions energy: -136.821 where: short stacking energy: -65.193 Base-Backbone interact. energy: -0.328 local terms energy: -72.196434 where: bonds (distance) C4'-P energy: -16.587 bonds (distance) P-C4' energy: -13.776 flat angles C4'-P-C4' energy: -13.170 flat angles P-C4'-P energy: -9.751 tors. eta vs tors. theta energy: -18.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -196.524281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.524281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.524281 (E_RNA) where: Base-Base interactions energy: -131.508 where: short stacking energy: -63.660 Base-Backbone interact. energy: -0.020 local terms energy: -64.996504 where: bonds (distance) C4'-P energy: -11.532 bonds (distance) P-C4' energy: -8.431 flat angles C4'-P-C4' energy: -16.465 flat angles P-C4'-P energy: -11.993 tors. eta vs tors. theta energy: -16.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -197.989081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.989081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.989081 (E_RNA) where: Base-Base interactions energy: -140.585 where: short stacking energy: -64.621 Base-Backbone interact. energy: 1.650 local terms energy: -59.053819 where: bonds (distance) C4'-P energy: -13.909 bonds (distance) P-C4' energy: -11.141 flat angles C4'-P-C4' energy: -12.629 flat angles P-C4'-P energy: -8.076 tors. eta vs tors. theta energy: -13.300 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: 4 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -185.730956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.730956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.730956 (E_RNA) where: Base-Base interactions energy: -123.338 where: short stacking energy: -62.338 Base-Backbone interact. energy: -0.020 local terms energy: -62.373159 where: bonds (distance) C4'-P energy: -10.459 bonds (distance) P-C4' energy: -14.881 flat angles C4'-P-C4' energy: -14.303 flat angles P-C4'-P energy: -6.667 tors. eta vs tors. theta energy: -16.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -175.301594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.301594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.301594 (E_RNA) where: Base-Base interactions energy: -117.768 where: short stacking energy: -58.161 Base-Backbone interact. energy: -0.621 local terms energy: -56.913406 where: bonds (distance) C4'-P energy: -11.525 bonds (distance) P-C4' energy: -14.417 flat angles C4'-P-C4' energy: -13.056 flat angles P-C4'-P energy: -5.746 tors. eta vs tors. theta energy: -12.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -115.667770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.667770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.667770 (E_RNA) where: Base-Base interactions energy: -62.601 where: short stacking energy: -27.861 Base-Backbone interact. energy: -0.280 local terms energy: -52.786690 where: bonds (distance) C4'-P energy: -12.216 bonds (distance) P-C4' energy: -13.985 flat angles C4'-P-C4' energy: -13.381 flat angles P-C4'-P energy: -6.684 tors. eta vs tors. theta energy: -6.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -88.148715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.148715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.148715 (E_RNA) where: Base-Base interactions energy: -34.690 where: short stacking energy: -33.618 Base-Backbone interact. energy: -0.645 local terms energy: -52.813845 where: bonds (distance) C4'-P energy: -12.291 bonds (distance) P-C4' energy: -11.591 flat angles C4'-P-C4' energy: -13.905 flat angles P-C4'-P energy: -5.958 tors. eta vs tors. theta energy: -9.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -89.998536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.998536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.998536 (E_RNA) where: Base-Base interactions energy: -45.939 where: short stacking energy: -25.116 Base-Backbone interact. energy: -0.491 local terms energy: -43.568390 where: bonds (distance) C4'-P energy: -9.617 bonds (distance) P-C4' energy: -15.774 flat angles C4'-P-C4' energy: -11.538 flat angles P-C4'-P energy: -6.046 tors. eta vs tors. theta energy: -0.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -82.931576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.931576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.931576 (E_RNA) where: Base-Base interactions energy: -39.048 where: short stacking energy: -32.476 Base-Backbone interact. energy: -0.445 local terms energy: -43.439031 where: bonds (distance) C4'-P energy: -13.143 bonds (distance) P-C4' energy: -12.987 flat angles C4'-P-C4' energy: -10.322 flat angles P-C4'-P energy: -8.890 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: 1, replica: 9 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -217.643938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.643938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.643938 (E_RNA) where: Base-Base interactions energy: -136.179 where: short stacking energy: -66.876 Base-Backbone interact. energy: -1.202 local terms energy: -80.262483 where: bonds (distance) C4'-P energy: -14.605 bonds (distance) P-C4' energy: -18.004 flat angles C4'-P-C4' energy: -15.539 flat angles P-C4'-P energy: -11.823 tors. eta vs tors. theta energy: -20.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -208.896971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.896971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.896971 (E_RNA) where: Base-Base interactions energy: -141.359 where: short stacking energy: -69.878 Base-Backbone interact. energy: -0.178 local terms energy: -67.360161 where: bonds (distance) C4'-P energy: -12.468 bonds (distance) P-C4' energy: -11.340 flat angles C4'-P-C4' energy: -15.267 flat angles P-C4'-P energy: -10.142 tors. eta vs tors. theta energy: -18.143 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: 18 Temperature: 1.000000 Total energy: -213.502312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.502312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.502312 (E_RNA) where: Base-Base interactions energy: -144.535 where: short stacking energy: -68.534 Base-Backbone interact. energy: -0.294 local terms energy: -68.672551 where: bonds (distance) C4'-P energy: -14.684 bonds (distance) P-C4' energy: -14.638 flat angles C4'-P-C4' energy: -14.786 flat angles P-C4'-P energy: -8.747 tors. eta vs tors. theta energy: -15.818 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: 1 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -182.431570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.431570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.431570 (E_RNA) where: Base-Base interactions energy: -117.818 where: short stacking energy: -47.947 Base-Backbone interact. energy: -0.084 local terms energy: -64.529727 where: bonds (distance) C4'-P energy: -12.882 bonds (distance) P-C4' energy: -12.656 flat angles C4'-P-C4' energy: -14.192 flat angles P-C4'-P energy: -10.386 tors. eta vs tors. theta energy: -14.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -175.978174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.978174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.978174 (E_RNA) where: Base-Base interactions energy: -119.170 where: short stacking energy: -52.129 Base-Backbone interact. energy: -0.712 local terms energy: -56.096180 where: bonds (distance) C4'-P energy: -6.915 bonds (distance) P-C4' energy: -12.572 flat angles C4'-P-C4' energy: -14.790 flat angles P-C4'-P energy: -10.301 tors. eta vs tors. theta energy: -11.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -177.884169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.884169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.884169 (E_RNA) where: Base-Base interactions energy: -121.473 where: short stacking energy: -50.714 Base-Backbone interact. energy: -0.046 local terms energy: -56.364483 where: bonds (distance) C4'-P energy: -10.386 bonds (distance) P-C4' energy: -11.900 flat angles C4'-P-C4' energy: -10.158 flat angles P-C4'-P energy: -7.733 tors. eta vs tors. theta energy: -16.188 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: 7 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -88.690907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.690907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.690907 (E_RNA) where: Base-Base interactions energy: -33.365 where: short stacking energy: -33.365 Base-Backbone interact. energy: -0.165 local terms energy: -55.160833 where: bonds (distance) C4'-P energy: -12.700 bonds (distance) P-C4' energy: -14.946 flat angles C4'-P-C4' energy: -13.542 flat angles P-C4'-P energy: -7.195 tors. eta vs tors. theta energy: -6.778 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: 18 Temperature: 1.250000 Total energy: -117.926431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.926431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.926431 (E_RNA) where: Base-Base interactions energy: -58.889 where: short stacking energy: -34.192 Base-Backbone interact. energy: 1.283 local terms energy: -60.320908 where: bonds (distance) C4'-P energy: -15.161 bonds (distance) P-C4' energy: -17.556 flat angles C4'-P-C4' energy: -5.701 flat angles P-C4'-P energy: -10.223 tors. eta vs tors. theta energy: -11.680 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: 6 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -78.435487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.435487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.435487 (E_RNA) where: Base-Base interactions energy: -28.131 where: short stacking energy: -26.610 Base-Backbone interact. energy: -0.102 local terms energy: -50.203265 where: bonds (distance) C4'-P energy: -16.360 bonds (distance) P-C4' energy: -15.674 flat angles C4'-P-C4' energy: -13.622 flat angles P-C4'-P energy: -4.370 tors. eta vs tors. theta energy: -0.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -95.019893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.019893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.019893 (E_RNA) where: Base-Base interactions energy: -50.645 where: short stacking energy: -27.593 Base-Backbone interact. energy: -0.131 local terms energy: -44.243388 where: bonds (distance) C4'-P energy: -8.990 bonds (distance) P-C4' energy: -13.809 flat angles C4'-P-C4' energy: -8.764 flat angles P-C4'-P energy: -6.447 tors. eta vs tors. theta energy: -6.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -211.740514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.740514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.740514 (E_RNA) where: Base-Base interactions energy: -142.370 where: short stacking energy: -70.485 Base-Backbone interact. energy: -0.079 local terms energy: -69.291599 where: bonds (distance) C4'-P energy: -16.527 bonds (distance) P-C4' energy: -13.895 flat angles C4'-P-C4' energy: -11.560 flat angles P-C4'-P energy: -7.702 tors. eta vs tors. theta energy: -19.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -206.881727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.881727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.881727 (E_RNA) where: Base-Base interactions energy: -130.049 where: short stacking energy: -66.787 Base-Backbone interact. energy: -0.106 local terms energy: -76.727492 where: bonds (distance) C4'-P energy: -13.420 bonds (distance) P-C4' energy: -15.808 flat angles C4'-P-C4' energy: -16.930 flat angles P-C4'-P energy: -12.517 tors. eta vs tors. theta energy: -18.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -209.701595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.701595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.701595 (E_RNA) where: Base-Base interactions energy: -141.659 where: short stacking energy: -57.712 Base-Backbone interact. energy: 0.039 local terms energy: -68.081983 where: bonds (distance) C4'-P energy: -11.852 bonds (distance) P-C4' energy: -14.284 flat angles C4'-P-C4' energy: -14.726 flat angles P-C4'-P energy: -10.196 tors. eta vs tors. theta energy: -17.023 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: 4, replica: 1 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -191.295286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.295286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.295286 (E_RNA) where: Base-Base interactions energy: -127.102 where: short stacking energy: -58.461 Base-Backbone interact. energy: 1.075 local terms energy: -65.268449 where: bonds (distance) C4'-P energy: -10.387 bonds (distance) P-C4' energy: -14.815 flat angles C4'-P-C4' energy: -12.761 flat angles P-C4'-P energy: -10.327 tors. eta vs tors. theta energy: -16.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -167.519019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.519019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.519019 (E_RNA) where: Base-Base interactions energy: -116.985 where: short stacking energy: -50.688 Base-Backbone interact. energy: -0.208 local terms energy: -50.325433 where: bonds (distance) C4'-P energy: -8.744 bonds (distance) P-C4' energy: -14.663 flat angles C4'-P-C4' energy: -12.257 flat angles P-C4'-P energy: -8.712 tors. eta vs tors. theta energy: -5.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -191.362429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.362429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.362429 (E_RNA) where: Base-Base interactions energy: -126.845 where: short stacking energy: -55.297 Base-Backbone interact. energy: -0.003 local terms energy: -64.514230 where: bonds (distance) C4'-P energy: -14.468 bonds (distance) P-C4' energy: -16.707 flat angles C4'-P-C4' energy: -12.886 flat angles P-C4'-P energy: -7.149 tors. eta vs tors. theta energy: -13.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -95.841004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.841004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.841004 (E_RNA) where: Base-Base interactions energy: -47.861 where: short stacking energy: -26.257 Base-Backbone interact. energy: -0.235 local terms energy: -47.745200 where: bonds (distance) C4'-P energy: -14.252 bonds (distance) P-C4' energy: -12.583 flat angles C4'-P-C4' energy: -10.508 flat angles P-C4'-P energy: -8.877 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: 6 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -88.168937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.168937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.168937 (E_RNA) where: Base-Base interactions energy: -35.997 where: short stacking energy: -30.801 Base-Backbone interact. energy: -0.165 local terms energy: -52.006561 where: bonds (distance) C4'-P energy: -10.800 bonds (distance) P-C4' energy: -13.051 flat angles C4'-P-C4' energy: -13.827 flat angles P-C4'-P energy: -11.682 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: 3 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -114.129085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.129085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.129085 (E_RNA) where: Base-Base interactions energy: -62.350 where: short stacking energy: -31.539 Base-Backbone interact. energy: -0.058 local terms energy: -51.720914 where: bonds (distance) C4'-P energy: -14.092 bonds (distance) P-C4' energy: -16.808 flat angles C4'-P-C4' energy: -8.466 flat angles P-C4'-P energy: -8.293 tors. eta vs tors. theta energy: -4.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -74.350487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.350487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.350487 (E_RNA) where: Base-Base interactions energy: -31.912 where: short stacking energy: -27.807 Base-Backbone interact. energy: 0.112 local terms energy: -42.550841 where: bonds (distance) C4'-P energy: -11.093 bonds (distance) P-C4' energy: -14.955 flat angles C4'-P-C4' energy: -6.761 flat angles P-C4'-P energy: -12.433 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: 1, replica: 2 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -218.068848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.068848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.068848 (E_RNA) where: Base-Base interactions energy: -136.969 where: short stacking energy: -71.130 Base-Backbone interact. energy: -0.008 local terms energy: -81.091992 where: bonds (distance) C4'-P energy: -14.761 bonds (distance) P-C4' energy: -15.042 flat angles C4'-P-C4' energy: -17.357 flat angles P-C4'-P energy: -12.665 tors. eta vs tors. theta energy: -21.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -212.150785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.150785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.150785 (E_RNA) where: Base-Base interactions energy: -140.243 where: short stacking energy: -71.987 Base-Backbone interact. energy: -0.001 local terms energy: -71.906140 where: bonds (distance) C4'-P energy: -11.798 bonds (distance) P-C4' energy: -13.625 flat angles C4'-P-C4' energy: -14.569 flat angles P-C4'-P energy: -12.315 tors. eta vs tors. theta energy: -19.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -208.081154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.081154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.081154 (E_RNA) where: Base-Base interactions energy: -136.387 where: short stacking energy: -67.993 Base-Backbone interact. energy: -1.466 local terms energy: -70.227956 where: bonds (distance) C4'-P energy: -14.485 bonds (distance) P-C4' energy: -14.585 flat angles C4'-P-C4' energy: -13.472 flat angles P-C4'-P energy: -10.472 tors. eta vs tors. theta energy: -17.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -188.169378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.169378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.169378 (E_RNA) where: Base-Base interactions energy: -116.102 where: short stacking energy: -56.035 Base-Backbone interact. energy: -0.003 local terms energy: -72.064821 where: bonds (distance) C4'-P energy: -12.683 bonds (distance) P-C4' energy: -13.079 flat angles C4'-P-C4' energy: -16.269 flat angles P-C4'-P energy: -11.488 tors. eta vs tors. theta energy: -18.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -184.294728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.294728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.294728 (E_RNA) where: Base-Base interactions energy: -124.120 where: short stacking energy: -55.457 Base-Backbone interact. energy: -0.109 local terms energy: -60.065119 where: bonds (distance) C4'-P energy: -12.424 bonds (distance) P-C4' energy: -16.482 flat angles C4'-P-C4' energy: -16.438 flat angles P-C4'-P energy: -4.677 tors. eta vs tors. theta energy: -10.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -177.583341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.583341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.583341 (E_RNA) where: Base-Base interactions energy: -114.765 where: short stacking energy: -53.548 Base-Backbone interact. energy: -0.016 local terms energy: -62.802660 where: bonds (distance) C4'-P energy: -14.701 bonds (distance) P-C4' energy: -14.293 flat angles C4'-P-C4' energy: -12.998 flat angles P-C4'-P energy: -6.153 tors. eta vs tors. theta energy: -14.658 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: 6 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -100.215913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.215913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.215913 (E_RNA) where: Base-Base interactions energy: -45.174 where: short stacking energy: -30.468 Base-Backbone interact. energy: -0.379 local terms energy: -54.662724 where: bonds (distance) C4'-P energy: -14.841 bonds (distance) P-C4' energy: -12.704 flat angles C4'-P-C4' energy: -10.513 flat angles P-C4'-P energy: -9.075 tors. eta vs tors. theta energy: -7.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -91.027164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.027164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.027164 (E_RNA) where: Base-Base interactions energy: -50.023 where: short stacking energy: -21.885 Base-Backbone interact. energy: 0.825 local terms energy: -41.829553 where: bonds (distance) C4'-P energy: -11.149 bonds (distance) P-C4' energy: -15.724 flat angles C4'-P-C4' energy: -11.093 flat angles P-C4'-P energy: -6.459 tors. eta vs tors. theta energy: 2.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -100.523426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.523426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.523426 (E_RNA) where: Base-Base interactions energy: -53.015 where: short stacking energy: -26.397 Base-Backbone interact. energy: -0.086 local terms energy: -47.422107 where: bonds (distance) C4'-P energy: -11.363 bonds (distance) P-C4' energy: -9.834 flat angles C4'-P-C4' energy: -14.843 flat angles P-C4'-P energy: -7.520 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: 10, replica: 3 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -83.147128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.147128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.147128 (E_RNA) where: Base-Base interactions energy: -30.429 where: short stacking energy: -30.116 Base-Backbone interact. energy: -0.013 local terms energy: -52.704861 where: bonds (distance) C4'-P energy: -12.766 bonds (distance) P-C4' energy: -13.699 flat angles C4'-P-C4' energy: -12.128 flat angles P-C4'-P energy: -9.447 tors. eta vs tors. theta energy: -4.666 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: 2 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -218.072779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.072779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.072779 (E_RNA) where: Base-Base interactions energy: -142.991 where: short stacking energy: -74.126 Base-Backbone interact. energy: 0.401 local terms energy: -75.481874 where: bonds (distance) C4'-P energy: -14.552 bonds (distance) P-C4' energy: -16.707 flat angles C4'-P-C4' energy: -15.761 flat angles P-C4'-P energy: -11.651 tors. eta vs tors. theta energy: -16.810 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: 2, replica: 9 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -209.554569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.554569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.554569 (E_RNA) where: Base-Base interactions energy: -136.135 where: short stacking energy: -66.102 Base-Backbone interact. energy: -0.000 local terms energy: -73.419329 where: bonds (distance) C4'-P energy: -14.755 bonds (distance) P-C4' energy: -14.738 flat angles C4'-P-C4' energy: -13.896 flat angles P-C4'-P energy: -8.865 tors. eta vs tors. theta energy: -21.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -193.464758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.464758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.464758 (E_RNA) where: Base-Base interactions energy: -130.261 where: short stacking energy: -56.008 Base-Backbone interact. energy: -0.784 local terms energy: -62.419645 where: bonds (distance) C4'-P energy: -11.919 bonds (distance) P-C4' energy: -12.817 flat angles C4'-P-C4' energy: -17.427 flat angles P-C4'-P energy: -7.552 tors. eta vs tors. theta energy: -12.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -192.754361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.754361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.754361 (E_RNA) where: Base-Base interactions energy: -120.457 where: short stacking energy: -52.533 Base-Backbone interact. energy: -0.004 local terms energy: -72.293016 where: bonds (distance) C4'-P energy: -12.771 bonds (distance) P-C4' energy: -16.801 flat angles C4'-P-C4' energy: -16.802 flat angles P-C4'-P energy: -11.201 tors. eta vs tors. theta energy: -14.717 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: 1 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -190.207528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.207528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.207528 (E_RNA) where: Base-Base interactions energy: -129.687 where: short stacking energy: -59.142 Base-Backbone interact. energy: -0.004 local terms energy: -60.517114 where: bonds (distance) C4'-P energy: -12.469 bonds (distance) P-C4' energy: -12.222 flat angles C4'-P-C4' energy: -15.909 flat angles P-C4'-P energy: -4.190 tors. eta vs tors. theta energy: -15.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -157.038236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.038236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.038236 (E_RNA) where: Base-Base interactions energy: -106.148 where: short stacking energy: -52.806 Base-Backbone interact. energy: -0.078 local terms energy: -50.811983 where: bonds (distance) C4'-P energy: -9.143 bonds (distance) P-C4' energy: -15.733 flat angles C4'-P-C4' energy: -9.970 flat angles P-C4'-P energy: -0.657 tors. eta vs tors. theta energy: -15.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -95.785989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.785989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.785989 (E_RNA) where: Base-Base interactions energy: -46.166 where: short stacking energy: -28.813 Base-Backbone interact. energy: 0.150 local terms energy: -49.770576 where: bonds (distance) C4'-P energy: -15.198 bonds (distance) P-C4' energy: -13.620 flat angles C4'-P-C4' energy: -10.725 flat angles P-C4'-P energy: -7.807 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: 8 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -81.820010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.820010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.820010 (E_RNA) where: Base-Base interactions energy: -41.504 where: short stacking energy: -30.461 Base-Backbone interact. energy: -0.038 local terms energy: -40.278229 where: bonds (distance) C4'-P energy: -13.103 bonds (distance) P-C4' energy: -13.665 flat angles C4'-P-C4' energy: -6.901 flat angles P-C4'-P energy: -3.736 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: 9, replica: 7 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -91.906822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.906822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.906822 (E_RNA) where: Base-Base interactions energy: -36.685 where: short stacking energy: -31.653 Base-Backbone interact. energy: -0.048 local terms energy: -55.173989 where: bonds (distance) C4'-P energy: -13.438 bonds (distance) P-C4' energy: -15.436 flat angles C4'-P-C4' energy: -14.563 flat angles P-C4'-P energy: -5.581 tors. eta vs tors. theta energy: -6.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -80.369498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.369498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.369498 (E_RNA) where: Base-Base interactions energy: -34.704 where: short stacking energy: -26.199 Base-Backbone interact. energy: -0.324 local terms energy: -45.340789 where: bonds (distance) C4'-P energy: -14.004 bonds (distance) P-C4' energy: -12.991 flat angles C4'-P-C4' energy: -11.648 flat angles P-C4'-P energy: -8.302 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: 1, replica: 2 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -216.242646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.242646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.242646 (E_RNA) where: Base-Base interactions energy: -143.648 where: short stacking energy: -73.924 Base-Backbone interact. energy: -0.027 local terms energy: -72.567924 where: bonds (distance) C4'-P energy: -11.256 bonds (distance) P-C4' energy: -15.241 flat angles C4'-P-C4' energy: -16.083 flat angles P-C4'-P energy: -13.014 tors. eta vs tors. theta energy: -16.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -210.180437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.180437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.180437 (E_RNA) where: Base-Base interactions energy: -136.822 where: short stacking energy: -68.918 Base-Backbone interact. energy: -1.286 local terms energy: -72.072939 where: bonds (distance) C4'-P energy: -15.346 bonds (distance) P-C4' energy: -12.368 flat angles C4'-P-C4' energy: -14.429 flat angles P-C4'-P energy: -11.674 tors. eta vs tors. theta energy: -18.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -195.442543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.442543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.442543 (E_RNA) where: Base-Base interactions energy: -130.534 where: short stacking energy: -54.889 Base-Backbone interact. energy: -0.115 local terms energy: -64.793185 where: bonds (distance) C4'-P energy: -16.737 bonds (distance) P-C4' energy: -13.883 flat angles C4'-P-C4' energy: -12.379 flat angles P-C4'-P energy: -6.731 tors. eta vs tors. theta energy: -15.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -186.844094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.844094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.844094 (E_RNA) where: Base-Base interactions energy: -121.021 where: short stacking energy: -57.851 Base-Backbone interact. energy: -0.024 local terms energy: -65.798899 where: bonds (distance) C4'-P energy: -12.791 bonds (distance) P-C4' energy: -12.060 flat angles C4'-P-C4' energy: -15.584 flat angles P-C4'-P energy: -8.424 tors. eta vs tors. theta energy: -16.940 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: 5, replica: 1 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -192.870112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.870112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.870112 (E_RNA) where: Base-Base interactions energy: -124.358 where: short stacking energy: -56.948 Base-Backbone interact. energy: -0.396 local terms energy: -68.116079 where: bonds (distance) C4'-P energy: -12.282 bonds (distance) P-C4' energy: -16.801 flat angles C4'-P-C4' energy: -15.027 flat angles P-C4'-P energy: -10.934 tors. eta vs tors. theta energy: -13.071 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: 4 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -136.285733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.285733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.285733 (E_RNA) where: Base-Base interactions energy: -78.157 where: short stacking energy: -39.304 Base-Backbone interact. energy: 1.047 local terms energy: -59.174916 where: bonds (distance) C4'-P energy: -11.044 bonds (distance) P-C4' energy: -13.570 flat angles C4'-P-C4' energy: -12.655 flat angles P-C4'-P energy: -11.114 tors. eta vs tors. theta energy: -10.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -103.173989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.173989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.173989 (E_RNA) where: Base-Base interactions energy: -52.853 where: short stacking energy: -31.033 Base-Backbone interact. energy: -0.063 local terms energy: -50.258518 where: bonds (distance) C4'-P energy: -12.712 bonds (distance) P-C4' energy: -9.936 flat angles C4'-P-C4' energy: -12.607 flat angles P-C4'-P energy: -8.135 tors. eta vs tors. theta energy: -6.868 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: 22 Temperature: 1.250000 Total energy: -101.554373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.554373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.554373 (E_RNA) where: Base-Base interactions energy: -37.122 where: short stacking energy: -36.596 Base-Backbone interact. energy: -0.002 local terms energy: -64.430657 where: bonds (distance) C4'-P energy: -13.231 bonds (distance) P-C4' energy: -14.892 flat angles C4'-P-C4' energy: -16.999 flat angles P-C4'-P energy: -9.036 tors. eta vs tors. theta energy: -10.273 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: 9, replica: 3 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -110.284649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.284649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.284649 (E_RNA) where: Base-Base interactions energy: -63.737 where: short stacking energy: -35.169 Base-Backbone interact. energy: -1.120 local terms energy: -45.427880 where: bonds (distance) C4'-P energy: -10.984 bonds (distance) P-C4' energy: -13.855 flat angles C4'-P-C4' energy: -11.016 flat angles P-C4'-P energy: -7.175 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: 10, replica: 7 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -84.663048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.663048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.663048 (E_RNA) where: Base-Base interactions energy: -31.132 where: short stacking energy: -31.060 Base-Backbone interact. energy: 0.006 local terms energy: -53.537629 where: bonds (distance) C4'-P energy: -13.200 bonds (distance) P-C4' energy: -13.155 flat angles C4'-P-C4' energy: -11.228 flat angles P-C4'-P energy: -8.373 tors. eta vs tors. theta energy: -7.582 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: 2 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -223.738991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.738991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.738991 (E_RNA) where: Base-Base interactions energy: -143.556 where: short stacking energy: -70.060 Base-Backbone interact. energy: -1.615 local terms energy: -78.567543 where: bonds (distance) C4'-P energy: -14.158 bonds (distance) P-C4' energy: -16.435 flat angles C4'-P-C4' energy: -14.683 flat angles P-C4'-P energy: -13.785 tors. eta vs tors. theta energy: -19.506 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: 5 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -207.990339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.990339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.990339 (E_RNA) where: Base-Base interactions energy: -138.227 where: short stacking energy: -66.700 Base-Backbone interact. energy: -0.194 local terms energy: -69.569163 where: bonds (distance) C4'-P energy: -14.365 bonds (distance) P-C4' energy: -14.670 flat angles C4'-P-C4' energy: -17.088 flat angles P-C4'-P energy: -7.146 tors. eta vs tors. theta energy: -16.301 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: 3, replica: 9 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -199.087575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.087575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.087575 (E_RNA) where: Base-Base interactions energy: -127.901 where: short stacking energy: -60.392 Base-Backbone interact. energy: -0.043 local terms energy: -71.143061 where: bonds (distance) C4'-P energy: -15.231 bonds (distance) P-C4' energy: -14.321 flat angles C4'-P-C4' energy: -15.620 flat angles P-C4'-P energy: -10.613 tors. eta vs tors. theta energy: -15.358 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: 1 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -196.738286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.738286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.738286 (E_RNA) where: Base-Base interactions energy: -129.104 where: short stacking energy: -64.508 Base-Backbone interact. energy: -0.118 local terms energy: -67.515817 where: bonds (distance) C4'-P energy: -13.494 bonds (distance) P-C4' energy: -13.955 flat angles C4'-P-C4' energy: -13.935 flat angles P-C4'-P energy: -8.406 tors. eta vs tors. theta energy: -17.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -179.276910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.276910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.276910 (E_RNA) where: Base-Base interactions energy: -121.754 where: short stacking energy: -59.857 Base-Backbone interact. energy: -0.010 local terms energy: -57.512360 where: bonds (distance) C4'-P energy: -11.826 bonds (distance) P-C4' energy: -16.367 flat angles C4'-P-C4' energy: -9.931 flat angles P-C4'-P energy: -7.175 tors. eta vs tors. theta energy: -12.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -108.382603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.382603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.382603 (E_RNA) where: Base-Base interactions energy: -63.215 where: short stacking energy: -34.711 Base-Backbone interact. energy: -0.410 local terms energy: -44.757293 where: bonds (distance) C4'-P energy: -10.543 bonds (distance) P-C4' energy: -13.616 flat angles C4'-P-C4' energy: -12.164 flat angles P-C4'-P energy: -8.915 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: 7, replica: 4 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -128.011268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.011268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.011268 (E_RNA) where: Base-Base interactions energy: -70.251 where: short stacking energy: -46.099 Base-Backbone interact. energy: -0.040 local terms energy: -57.719514 where: bonds (distance) C4'-P energy: -14.617 bonds (distance) P-C4' energy: -11.058 flat angles C4'-P-C4' energy: -15.072 flat angles P-C4'-P energy: -5.718 tors. eta vs tors. theta energy: -11.254 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: 8, replica: 8 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -83.501662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.501662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.501662 (E_RNA) where: Base-Base interactions energy: -38.867 where: short stacking energy: -34.722 Base-Backbone interact. energy: 0.549 local terms energy: -45.183620 where: bonds (distance) C4'-P energy: -12.775 bonds (distance) P-C4' energy: -13.987 flat angles C4'-P-C4' energy: -7.152 flat angles P-C4'-P energy: -6.580 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: 9, replica: 3 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -94.814137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.814137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.814137 (E_RNA) where: Base-Base interactions energy: -49.519 where: short stacking energy: -39.309 Base-Backbone interact. energy: -0.040 local terms energy: -45.254973 where: bonds (distance) C4'-P energy: -10.821 bonds (distance) P-C4' energy: -6.788 flat angles C4'-P-C4' energy: -13.259 flat angles P-C4'-P energy: -7.562 tors. eta vs tors. theta energy: -6.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -104.007010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.007010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.007010 (E_RNA) where: Base-Base interactions energy: -59.642 where: short stacking energy: -34.875 Base-Backbone interact. energy: 0.295 local terms energy: -44.660111 where: bonds (distance) C4'-P energy: -5.673 bonds (distance) P-C4' energy: -16.513 flat angles C4'-P-C4' energy: -10.908 flat angles P-C4'-P energy: -4.883 tors. eta vs tors. theta energy: -6.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -203.372709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.372709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.372709 (E_RNA) where: Base-Base interactions energy: -133.734 where: short stacking energy: -53.705 Base-Backbone interact. energy: -0.061 local terms energy: -69.578174 where: bonds (distance) C4'-P energy: -16.786 bonds (distance) P-C4' energy: -16.339 flat angles C4'-P-C4' energy: -9.645 flat angles P-C4'-P energy: -12.952 tors. eta vs tors. theta energy: -13.855 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: 2 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -202.924935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.924935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.924935 (E_RNA) where: Base-Base interactions energy: -134.108 where: short stacking energy: -58.057 Base-Backbone interact. energy: 0.612 local terms energy: -69.428585 where: bonds (distance) C4'-P energy: -13.524 bonds (distance) P-C4' energy: -14.281 flat angles C4'-P-C4' energy: -16.554 flat angles P-C4'-P energy: -9.761 tors. eta vs tors. theta energy: -15.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -201.472540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.472540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.472540 (E_RNA) where: Base-Base interactions energy: -135.548 where: short stacking energy: -62.540 Base-Backbone interact. energy: -0.020 local terms energy: -65.905333 where: bonds (distance) C4'-P energy: -13.139 bonds (distance) P-C4' energy: -12.288 flat angles C4'-P-C4' energy: -14.527 flat angles P-C4'-P energy: -9.480 tors. eta vs tors. theta energy: -16.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -202.275014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.275014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.275014 (E_RNA) where: Base-Base interactions energy: -126.831 where: short stacking energy: -62.298 Base-Backbone interact. energy: -1.787 local terms energy: -73.657007 where: bonds (distance) C4'-P energy: -14.870 bonds (distance) P-C4' energy: -13.452 flat angles C4'-P-C4' energy: -15.923 flat angles P-C4'-P energy: -9.035 tors. eta vs tors. theta energy: -20.377 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: 10 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -182.095170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.095170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.095170 (E_RNA) where: Base-Base interactions energy: -118.238 where: short stacking energy: -61.654 Base-Backbone interact. energy: -0.024 local terms energy: -63.832774 where: bonds (distance) C4'-P energy: -13.984 bonds (distance) P-C4' energy: -17.358 flat angles C4'-P-C4' energy: -15.927 flat angles P-C4'-P energy: -5.919 tors. eta vs tors. theta energy: -10.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -115.531309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.531309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.531309 (E_RNA) where: Base-Base interactions energy: -67.288 where: short stacking energy: -36.911 Base-Backbone interact. energy: -0.082 local terms energy: -48.162031 where: bonds (distance) C4'-P energy: -7.852 bonds (distance) P-C4' energy: -14.532 flat angles C4'-P-C4' energy: -13.558 flat angles P-C4'-P energy: -6.196 tors. eta vs tors. theta energy: -6.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -138.520849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.520849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.520849 (E_RNA) where: Base-Base interactions energy: -78.989 where: short stacking energy: -44.394 Base-Backbone interact. energy: -0.132 local terms energy: -59.399649 where: bonds (distance) C4'-P energy: -11.554 bonds (distance) P-C4' energy: -14.535 flat angles C4'-P-C4' energy: -14.437 flat angles P-C4'-P energy: -10.099 tors. eta vs tors. theta energy: -8.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -92.452732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.452732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.452732 (E_RNA) where: Base-Base interactions energy: -38.872 where: short stacking energy: -26.383 Base-Backbone interact. energy: -0.173 local terms energy: -53.407784 where: bonds (distance) C4'-P energy: -12.130 bonds (distance) P-C4' energy: -13.957 flat angles C4'-P-C4' energy: -11.019 flat angles P-C4'-P energy: -10.299 tors. eta vs tors. theta energy: -6.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -79.187415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.187415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.187415 (E_RNA) where: Base-Base interactions energy: -26.633 where: short stacking energy: -25.530 Base-Backbone interact. energy: -0.206 local terms energy: -52.347823 where: bonds (distance) C4'-P energy: -14.596 bonds (distance) P-C4' energy: -12.576 flat angles C4'-P-C4' energy: -16.746 flat angles P-C4'-P energy: -8.087 tors. eta vs tors. theta energy: -0.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -74.004586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.004586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.004586 (E_RNA) where: Base-Base interactions energy: -24.667 where: short stacking energy: -22.002 Base-Backbone interact. energy: 0.100 local terms energy: -49.437700 where: bonds (distance) C4'-P energy: -10.052 bonds (distance) P-C4' energy: -15.762 flat angles C4'-P-C4' energy: -14.547 flat angles P-C4'-P energy: -8.005 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: 1, replica: 5 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -213.744986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.744986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.744986 (E_RNA) where: Base-Base interactions energy: -144.759 where: short stacking energy: -62.518 Base-Backbone interact. energy: -0.061 local terms energy: -68.924981 where: bonds (distance) C4'-P energy: -16.518 bonds (distance) P-C4' energy: -15.529 flat angles C4'-P-C4' energy: -13.735 flat angles P-C4'-P energy: -8.610 tors. eta vs tors. theta energy: -14.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -210.309215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.309215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.309215 (E_RNA) where: Base-Base interactions energy: -134.664 where: short stacking energy: -68.635 Base-Backbone interact. energy: -0.024 local terms energy: -75.620903 where: bonds (distance) C4'-P energy: -15.326 bonds (distance) P-C4' energy: -14.197 flat angles C4'-P-C4' energy: -17.391 flat angles P-C4'-P energy: -8.696 tors. eta vs tors. theta energy: -20.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -207.210049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.210049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.210049 (E_RNA) where: Base-Base interactions energy: -140.526 where: short stacking energy: -65.411 Base-Backbone interact. energy: -0.034 local terms energy: -66.650039 where: bonds (distance) C4'-P energy: -14.432 bonds (distance) P-C4' energy: -13.548 flat angles C4'-P-C4' energy: -15.888 flat angles P-C4'-P energy: -7.182 tors. eta vs tors. theta energy: -15.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -188.067038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.067038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.067038 (E_RNA) where: Base-Base interactions energy: -125.917 where: short stacking energy: -55.253 Base-Backbone interact. energy: -0.025 local terms energy: -62.124970 where: bonds (distance) C4'-P energy: -13.756 bonds (distance) P-C4' energy: -14.088 flat angles C4'-P-C4' energy: -12.760 flat angles P-C4'-P energy: -9.742 tors. eta vs tors. theta energy: -11.779 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: 5, replica: 9 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -192.879350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.879350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.879350 (E_RNA) where: Base-Base interactions energy: -116.105 where: short stacking energy: -53.187 Base-Backbone interact. energy: -1.312 local terms energy: -75.462557 where: bonds (distance) C4'-P energy: -16.923 bonds (distance) P-C4' energy: -14.612 flat angles C4'-P-C4' energy: -14.793 flat angles P-C4'-P energy: -12.612 tors. eta vs tors. theta energy: -16.522 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: 4 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -136.423397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.423397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.423397 (E_RNA) where: Base-Base interactions energy: -79.629 where: short stacking energy: -49.366 Base-Backbone interact. energy: -0.134 local terms energy: -56.660907 where: bonds (distance) C4'-P energy: -9.335 bonds (distance) P-C4' energy: -13.255 flat angles C4'-P-C4' energy: -14.207 flat angles P-C4'-P energy: -7.857 tors. eta vs tors. theta energy: -12.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -114.081772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.081772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.081772 (E_RNA) where: Base-Base interactions energy: -71.305 where: short stacking energy: -29.419 Base-Backbone interact. energy: -0.324 local terms energy: -42.453009 where: bonds (distance) C4'-P energy: -6.503 bonds (distance) P-C4' energy: -16.153 flat angles C4'-P-C4' energy: -14.268 flat angles P-C4'-P energy: -8.727 tors. eta vs tors. theta energy: 3.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -91.130911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.130911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.130911 (E_RNA) where: Base-Base interactions energy: -37.778 where: short stacking energy: -35.099 Base-Backbone interact. energy: -0.012 local terms energy: -53.340971 where: bonds (distance) C4'-P energy: -14.351 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -12.405 flat angles P-C4'-P energy: -10.476 tors. eta vs tors. theta energy: -6.770 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: 8 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -85.460518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.460518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.460518 (E_RNA) where: Base-Base interactions energy: -45.298 where: short stacking energy: -26.434 Base-Backbone interact. energy: -1.215 local terms energy: -38.946686 where: bonds (distance) C4'-P energy: -13.141 bonds (distance) P-C4' energy: -12.981 flat angles C4'-P-C4' energy: -12.442 flat angles P-C4'-P energy: -2.866 tors. eta vs tors. theta energy: 2.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -83.325896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.325896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.325896 (E_RNA) where: Base-Base interactions energy: -43.523 where: short stacking energy: -31.018 Base-Backbone interact. energy: -0.162 local terms energy: -39.640906 where: bonds (distance) C4'-P energy: -10.495 bonds (distance) P-C4' energy: -13.560 flat angles C4'-P-C4' energy: -11.606 flat angles P-C4'-P energy: -2.798 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: 5 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -212.304621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.304621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.304621 (E_RNA) where: Base-Base interactions energy: -139.528 where: short stacking energy: -59.467 Base-Backbone interact. energy: -0.144 local terms energy: -72.632468 where: bonds (distance) C4'-P energy: -13.392 bonds (distance) P-C4' energy: -16.575 flat angles C4'-P-C4' energy: -16.244 flat angles P-C4'-P energy: -9.395 tors. eta vs tors. theta energy: -17.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -207.766773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.766773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.766773 (E_RNA) where: Base-Base interactions energy: -128.280 where: short stacking energy: -64.093 Base-Backbone interact. energy: -0.641 local terms energy: -78.845815 where: bonds (distance) C4'-P energy: -16.463 bonds (distance) P-C4' energy: -17.538 flat angles C4'-P-C4' energy: -17.078 flat angles P-C4'-P energy: -10.719 tors. eta vs tors. theta energy: -17.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -210.051336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.051336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.051336 (E_RNA) where: Base-Base interactions energy: -139.526 where: short stacking energy: -70.306 Base-Backbone interact. energy: -0.243 local terms energy: -70.282324 where: bonds (distance) C4'-P energy: -13.649 bonds (distance) P-C4' energy: -10.273 flat angles C4'-P-C4' energy: -14.847 flat angles P-C4'-P energy: -12.656 tors. eta vs tors. theta energy: -18.858 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: 10 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -190.199735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.199735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.199735 (E_RNA) where: Base-Base interactions energy: -124.735 where: short stacking energy: -53.172 Base-Backbone interact. energy: -0.974 local terms energy: -64.490832 where: bonds (distance) C4'-P energy: -14.231 bonds (distance) P-C4' energy: -15.321 flat angles C4'-P-C4' energy: -11.760 flat angles P-C4'-P energy: -10.825 tors. eta vs tors. theta energy: -12.353 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: 4 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -188.628946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.628946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.628946 (E_RNA) where: Base-Base interactions energy: -119.197 where: short stacking energy: -62.672 Base-Backbone interact. energy: -0.610 local terms energy: -68.822201 where: bonds (distance) C4'-P energy: -12.555 bonds (distance) P-C4' energy: -10.534 flat angles C4'-P-C4' energy: -16.115 flat angles P-C4'-P energy: -10.513 tors. eta vs tors. theta energy: -19.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -183.889576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.889576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.889576 (E_RNA) where: Base-Base interactions energy: -123.625 where: short stacking energy: -61.984 Base-Backbone interact. energy: -0.385 local terms energy: -59.880437 where: bonds (distance) C4'-P energy: -10.496 bonds (distance) P-C4' energy: -12.790 flat angles C4'-P-C4' energy: -12.585 flat angles P-C4'-P energy: -5.929 tors. eta vs tors. theta energy: -18.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -123.890221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.890221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.890221 (E_RNA) where: Base-Base interactions energy: -60.629 where: short stacking energy: -36.538 Base-Backbone interact. energy: -0.044 local terms energy: -63.217565 where: bonds (distance) C4'-P energy: -15.401 bonds (distance) P-C4' energy: -14.219 flat angles C4'-P-C4' energy: -12.392 flat angles P-C4'-P energy: -9.123 tors. eta vs tors. theta energy: -12.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -90.239616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.239616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.239616 (E_RNA) where: Base-Base interactions energy: -46.941 where: short stacking energy: -46.941 Base-Backbone interact. energy: -0.108 local terms energy: -43.190233 where: bonds (distance) C4'-P energy: -12.582 bonds (distance) P-C4' energy: -8.572 flat angles C4'-P-C4' energy: -9.667 flat angles P-C4'-P energy: -5.984 tors. eta vs tors. theta energy: -6.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -78.524441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.524441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.524441 (E_RNA) where: Base-Base interactions energy: -29.887 where: short stacking energy: -18.195 Base-Backbone interact. energy: -0.242 local terms energy: -48.395560 where: bonds (distance) C4'-P energy: -12.806 bonds (distance) P-C4' energy: -15.719 flat angles C4'-P-C4' energy: -9.187 flat angles P-C4'-P energy: -8.234 tors. eta vs tors. theta energy: -2.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -75.896437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.896437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.896437 (E_RNA) where: Base-Base interactions energy: -40.993 where: short stacking energy: -23.589 Base-Backbone interact. energy: -0.799 local terms energy: -34.103815 where: bonds (distance) C4'-P energy: -11.391 bonds (distance) P-C4' energy: -7.453 flat angles C4'-P-C4' energy: -6.781 flat angles P-C4'-P energy: -7.974 tors. eta vs tors. theta energy: -0.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -225.636442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.636442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.636442 (E_RNA) where: Base-Base interactions energy: -156.424 where: short stacking energy: -58.765 Base-Backbone interact. energy: -0.124 local terms energy: -69.088062 where: bonds (distance) C4'-P energy: -15.917 bonds (distance) P-C4' energy: -13.748 flat angles C4'-P-C4' energy: -12.179 flat angles P-C4'-P energy: -8.851 tors. eta vs tors. theta energy: -18.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -212.334694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.334694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.334694 (E_RNA) where: Base-Base interactions energy: -136.754 where: short stacking energy: -69.399 Base-Backbone interact. energy: -0.003 local terms energy: -75.576908 where: bonds (distance) C4'-P energy: -17.077 bonds (distance) P-C4' energy: -13.450 flat angles C4'-P-C4' energy: -14.135 flat angles P-C4'-P energy: -11.882 tors. eta vs tors. theta energy: -19.033 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: 2 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -203.464522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.464522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.464522 (E_RNA) where: Base-Base interactions energy: -135.028 where: short stacking energy: -70.571 Base-Backbone interact. energy: -0.054 local terms energy: -68.382522 where: bonds (distance) C4'-P energy: -12.242 bonds (distance) P-C4' energy: -14.935 flat angles C4'-P-C4' energy: -12.170 flat angles P-C4'-P energy: -9.601 tors. eta vs tors. theta energy: -19.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -179.508194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.508194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.508194 (E_RNA) where: Base-Base interactions energy: -108.704 where: short stacking energy: -58.953 Base-Backbone interact. energy: -0.002 local terms energy: -70.802897 where: bonds (distance) C4'-P energy: -14.464 bonds (distance) P-C4' energy: -10.839 flat angles C4'-P-C4' energy: -16.682 flat angles P-C4'-P energy: -12.020 tors. eta vs tors. theta energy: -16.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -176.585441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.585441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.585441 (E_RNA) where: Base-Base interactions energy: -111.862 where: short stacking energy: -54.774 Base-Backbone interact. energy: -0.001 local terms energy: -64.721849 where: bonds (distance) C4'-P energy: -13.411 bonds (distance) P-C4' energy: -15.821 flat angles C4'-P-C4' energy: -15.499 flat angles P-C4'-P energy: -7.133 tors. eta vs tors. theta energy: -12.857 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: 9 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -165.199054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.199054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.199054 (E_RNA) where: Base-Base interactions energy: -103.988 where: short stacking energy: -47.562 Base-Backbone interact. energy: -0.020 local terms energy: -61.191203 where: bonds (distance) C4'-P energy: -11.826 bonds (distance) P-C4' energy: -15.401 flat angles C4'-P-C4' energy: -15.700 flat angles P-C4'-P energy: -10.065 tors. eta vs tors. theta energy: -8.199 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: 7, replica: 6 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -82.472834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.472834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.472834 (E_RNA) where: Base-Base interactions energy: -31.387 where: short stacking energy: -31.086 Base-Backbone interact. energy: -0.175 local terms energy: -50.910354 where: bonds (distance) C4'-P energy: -7.965 bonds (distance) P-C4' energy: -14.649 flat angles C4'-P-C4' energy: -15.465 flat angles P-C4'-P energy: -8.317 tors. eta vs tors. theta energy: -4.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -104.321558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.321558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.321558 (E_RNA) where: Base-Base interactions energy: -56.146 where: short stacking energy: -30.088 Base-Backbone interact. energy: 0.324 local terms energy: -48.500087 where: bonds (distance) C4'-P energy: -16.667 bonds (distance) P-C4' energy: -14.159 flat angles C4'-P-C4' energy: -9.149 flat angles P-C4'-P energy: -3.935 tors. eta vs tors. theta energy: -4.590 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: 9, replica: 7 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -85.570602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.570602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.570602 (E_RNA) where: Base-Base interactions energy: -30.048 where: short stacking energy: -29.329 Base-Backbone interact. energy: -0.028 local terms energy: -55.494244 where: bonds (distance) C4'-P energy: -13.893 bonds (distance) P-C4' energy: -15.107 flat angles C4'-P-C4' energy: -13.766 flat angles P-C4'-P energy: -7.330 tors. eta vs tors. theta energy: -5.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -87.308282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.308282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.308282 (E_RNA) where: Base-Base interactions energy: -42.354 where: short stacking energy: -30.717 Base-Backbone interact. energy: -0.192 local terms energy: -44.762373 where: bonds (distance) C4'-P energy: -12.337 bonds (distance) P-C4' energy: -14.300 flat angles C4'-P-C4' energy: -12.316 flat angles P-C4'-P energy: -5.398 tors. eta vs tors. theta energy: -0.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -209.109684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.109684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.109684 (E_RNA) where: Base-Base interactions energy: -139.299 where: short stacking energy: -72.405 Base-Backbone interact. energy: -0.103 local terms energy: -69.707440 where: bonds (distance) C4'-P energy: -12.460 bonds (distance) P-C4' energy: -16.741 flat angles C4'-P-C4' energy: -13.878 flat angles P-C4'-P energy: -10.684 tors. eta vs tors. theta energy: -15.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -196.543246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.543246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.543246 (E_RNA) where: Base-Base interactions energy: -124.359 where: short stacking energy: -64.757 Base-Backbone interact. energy: -0.012 local terms energy: -72.171887 where: bonds (distance) C4'-P energy: -16.269 bonds (distance) P-C4' energy: -12.334 flat angles C4'-P-C4' energy: -15.042 flat angles P-C4'-P energy: -10.284 tors. eta vs tors. theta energy: -18.243 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: 2 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -209.185716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.185716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.185716 (E_RNA) where: Base-Base interactions energy: -135.238 where: short stacking energy: -69.963 Base-Backbone interact. energy: -0.022 local terms energy: -73.925736 where: bonds (distance) C4'-P energy: -15.947 bonds (distance) P-C4' energy: -14.597 flat angles C4'-P-C4' energy: -14.615 flat angles P-C4'-P energy: -10.044 tors. eta vs tors. theta energy: -18.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -174.795002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.795002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.795002 (E_RNA) where: Base-Base interactions energy: -118.713 where: short stacking energy: -50.969 Base-Backbone interact. energy: -0.149 local terms energy: -55.933291 where: bonds (distance) C4'-P energy: -9.745 bonds (distance) P-C4' energy: -13.696 flat angles C4'-P-C4' energy: -12.792 flat angles P-C4'-P energy: -8.793 tors. eta vs tors. theta energy: -10.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -200.945504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.945504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.945504 (E_RNA) where: Base-Base interactions energy: -135.133 where: short stacking energy: -56.856 Base-Backbone interact. energy: -0.257 local terms energy: -65.555124 where: bonds (distance) C4'-P energy: -15.698 bonds (distance) P-C4' energy: -14.619 flat angles C4'-P-C4' energy: -13.290 flat angles P-C4'-P energy: -8.192 tors. eta vs tors. theta energy: -13.757 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: 28 Temperature: 1.150000 Total energy: -134.998485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.998485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.998485 (E_RNA) where: Base-Base interactions energy: -72.675 where: short stacking energy: -36.954 Base-Backbone interact. energy: 0.033 local terms energy: -62.356040 where: bonds (distance) C4'-P energy: -12.974 bonds (distance) P-C4' energy: -17.578 flat angles C4'-P-C4' energy: -17.035 flat angles P-C4'-P energy: -6.750 tors. eta vs tors. theta energy: -8.019 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: 8 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -89.370441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.370441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.370441 (E_RNA) where: Base-Base interactions energy: -34.442 where: short stacking energy: -30.145 Base-Backbone interact. energy: -0.037 local terms energy: -54.892173 where: bonds (distance) C4'-P energy: -12.717 bonds (distance) P-C4' energy: -12.498 flat angles C4'-P-C4' energy: -13.831 flat angles P-C4'-P energy: -9.757 tors. eta vs tors. theta energy: -6.089 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: 8, replica: 6 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -88.722568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.722568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.722568 (E_RNA) where: Base-Base interactions energy: -30.374 where: short stacking energy: -30.123 Base-Backbone interact. energy: -0.285 local terms energy: -58.063603 where: bonds (distance) C4'-P energy: -16.161 bonds (distance) P-C4' energy: -13.916 flat angles C4'-P-C4' energy: -13.198 flat angles P-C4'-P energy: -8.082 tors. eta vs tors. theta energy: -6.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -92.057823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.057823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.057823 (E_RNA) where: Base-Base interactions energy: -44.696 where: short stacking energy: -30.068 Base-Backbone interact. energy: -0.329 local terms energy: -47.032468 where: bonds (distance) C4'-P energy: -9.716 bonds (distance) P-C4' energy: -14.596 flat angles C4'-P-C4' energy: -14.224 flat angles P-C4'-P energy: -7.490 tors. eta vs tors. theta energy: -1.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -96.634335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.634335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.634335 (E_RNA) where: Base-Base interactions energy: -56.846 where: short stacking energy: -25.400 Base-Backbone interact. energy: -0.402 local terms energy: -39.386095 where: bonds (distance) C4'-P energy: -7.947 bonds (distance) P-C4' energy: -7.249 flat angles C4'-P-C4' energy: -14.168 flat angles P-C4'-P energy: -6.895 tors. eta vs tors. theta energy: -3.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -214.336573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.336573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.336573 (E_RNA) where: Base-Base interactions energy: -140.873 where: short stacking energy: -72.937 Base-Backbone interact. energy: -0.116 local terms energy: -73.347246 where: bonds (distance) C4'-P energy: -12.092 bonds (distance) P-C4' energy: -14.322 flat angles C4'-P-C4' energy: -15.765 flat angles P-C4'-P energy: -8.507 tors. eta vs tors. theta energy: -22.662 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: 2 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -207.705078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.705078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.705078 (E_RNA) where: Base-Base interactions energy: -135.279 where: short stacking energy: -63.022 Base-Backbone interact. energy: -0.094 local terms energy: -72.332109 where: bonds (distance) C4'-P energy: -14.303 bonds (distance) P-C4' energy: -11.070 flat angles C4'-P-C4' energy: -15.862 flat angles P-C4'-P energy: -12.733 tors. eta vs tors. theta energy: -18.365 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: 5 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -199.333309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.333309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.333309 (E_RNA) where: Base-Base interactions energy: -132.881 where: short stacking energy: -64.495 Base-Backbone interact. energy: -0.001 local terms energy: -66.450818 where: bonds (distance) C4'-P energy: -11.227 bonds (distance) P-C4' energy: -12.906 flat angles C4'-P-C4' energy: -13.333 flat angles P-C4'-P energy: -11.178 tors. eta vs tors. theta energy: -17.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -208.656898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.656898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.656898 (E_RNA) where: Base-Base interactions energy: -142.405 where: short stacking energy: -61.176 Base-Backbone interact. energy: -0.002 local terms energy: -66.250454 where: bonds (distance) C4'-P energy: -14.162 bonds (distance) P-C4' energy: -9.304 flat angles C4'-P-C4' energy: -15.726 flat angles P-C4'-P energy: -10.200 tors. eta vs tors. theta energy: -16.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -171.684261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.684261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.684261 (E_RNA) where: Base-Base interactions energy: -111.527 where: short stacking energy: -53.048 Base-Backbone interact. energy: -0.045 local terms energy: -60.112131 where: bonds (distance) C4'-P energy: -12.949 bonds (distance) P-C4' energy: -11.436 flat angles C4'-P-C4' energy: -10.703 flat angles P-C4'-P energy: -13.506 tors. eta vs tors. theta energy: -11.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -101.547669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.547669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.547669 (E_RNA) where: Base-Base interactions energy: -47.965 where: short stacking energy: -38.110 Base-Backbone interact. energy: -0.142 local terms energy: -53.440401 where: bonds (distance) C4'-P energy: -12.456 bonds (distance) P-C4' energy: -16.637 flat angles C4'-P-C4' energy: -12.757 flat angles P-C4'-P energy: -4.254 tors. eta vs tors. theta energy: -7.337 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: 9 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -92.693553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.693553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.693553 (E_RNA) where: Base-Base interactions energy: -48.453 where: short stacking energy: -32.357 Base-Backbone interact. energy: -0.379 local terms energy: -43.861697 where: bonds (distance) C4'-P energy: -10.626 bonds (distance) P-C4' energy: -9.431 flat angles C4'-P-C4' energy: -9.163 flat angles P-C4'-P energy: -7.897 tors. eta vs tors. theta energy: -6.744 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: 6 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -103.941346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.941346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.941346 (E_RNA) where: Base-Base interactions energy: -40.433 where: short stacking energy: -40.433 Base-Backbone interact. energy: -0.041 local terms energy: -63.466453 where: bonds (distance) C4'-P energy: -14.009 bonds (distance) P-C4' energy: -15.941 flat angles C4'-P-C4' energy: -16.429 flat angles P-C4'-P energy: -10.255 tors. eta vs tors. theta energy: -6.832 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: 29 Temperature: 1.300000 Total energy: -94.751080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.751080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.751080 (E_RNA) where: Base-Base interactions energy: -49.084 where: short stacking energy: -38.442 Base-Backbone interact. energy: -0.026 local terms energy: -45.640936 where: bonds (distance) C4'-P energy: -6.234 bonds (distance) P-C4' energy: -11.295 flat angles C4'-P-C4' energy: -12.843 flat angles P-C4'-P energy: -10.358 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: 10, replica: 7 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -86.234047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.234047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.234047 (E_RNA) where: Base-Base interactions energy: -49.278 where: short stacking energy: -29.954 Base-Backbone interact. energy: -0.243 local terms energy: -36.713340 where: bonds (distance) C4'-P energy: -11.678 bonds (distance) P-C4' energy: -14.445 flat angles C4'-P-C4' energy: -7.022 flat angles P-C4'-P energy: -6.768 tors. eta vs tors. theta energy: 3.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -218.273815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.273815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.273815 (E_RNA) where: Base-Base interactions energy: -145.607 where: short stacking energy: -72.077 Base-Backbone interact. energy: -0.097 local terms energy: -72.569890 where: bonds (distance) C4'-P energy: -15.888 bonds (distance) P-C4' energy: -11.965 flat angles C4'-P-C4' energy: -15.571 flat angles P-C4'-P energy: -8.329 tors. eta vs tors. theta energy: -20.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -209.341369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.341369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.341369 (E_RNA) where: Base-Base interactions energy: -133.350 where: short stacking energy: -58.538 Base-Backbone interact. energy: -1.237 local terms energy: -74.754471 where: bonds (distance) C4'-P energy: -14.908 bonds (distance) P-C4' energy: -14.352 flat angles C4'-P-C4' energy: -13.881 flat angles P-C4'-P energy: -13.098 tors. eta vs tors. theta energy: -18.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -209.142125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.142125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.142125 (E_RNA) where: Base-Base interactions energy: -139.496 where: short stacking energy: -61.134 Base-Backbone interact. energy: 0.371 local terms energy: -70.016769 where: bonds (distance) C4'-P energy: -11.293 bonds (distance) P-C4' energy: -16.555 flat angles C4'-P-C4' energy: -12.738 flat angles P-C4'-P energy: -11.949 tors. eta vs tors. theta energy: -17.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -187.709979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.709979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.709979 (E_RNA) where: Base-Base interactions energy: -123.320 where: short stacking energy: -56.568 Base-Backbone interact. energy: 0.543 local terms energy: -64.933565 where: bonds (distance) C4'-P energy: -13.484 bonds (distance) P-C4' energy: -12.839 flat angles C4'-P-C4' energy: -11.007 flat angles P-C4'-P energy: -10.668 tors. eta vs tors. theta energy: -16.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -104.858013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.858013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.858013 (E_RNA) where: Base-Base interactions energy: -42.964 where: short stacking energy: -42.964 Base-Backbone interact. energy: -0.000 local terms energy: -61.893409 where: bonds (distance) C4'-P energy: -13.214 bonds (distance) P-C4' energy: -17.735 flat angles C4'-P-C4' energy: -11.097 flat angles P-C4'-P energy: -10.622 tors. eta vs tors. theta energy: -9.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -177.714607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.714607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.714607 (E_RNA) where: Base-Base interactions energy: -110.323 where: short stacking energy: -49.463 Base-Backbone interact. energy: -0.005 local terms energy: -67.386291 where: bonds (distance) C4'-P energy: -14.634 bonds (distance) P-C4' energy: -13.635 flat angles C4'-P-C4' energy: -14.369 flat angles P-C4'-P energy: -11.735 tors. eta vs tors. theta energy: -13.013 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: 30 Temperature: 1.200000 Total energy: -106.097312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.097312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.097312 (E_RNA) where: Base-Base interactions energy: -57.424 where: short stacking energy: -30.435 Base-Backbone interact. energy: -0.651 local terms energy: -48.022894 where: bonds (distance) C4'-P energy: -12.026 bonds (distance) P-C4' energy: -17.333 flat angles C4'-P-C4' energy: -6.809 flat angles P-C4'-P energy: -8.736 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: 8, replica: 9 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -77.957925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.957925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.957925 (E_RNA) where: Base-Base interactions energy: -31.368 where: short stacking energy: -31.368 Base-Backbone interact. energy: -0.506 local terms energy: -46.083862 where: bonds (distance) C4'-P energy: -8.050 bonds (distance) P-C4' energy: -10.699 flat angles C4'-P-C4' energy: -9.469 flat angles P-C4'-P energy: -9.519 tors. eta vs tors. theta energy: -8.348 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: 7 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -90.642992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.642992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.642992 (E_RNA) where: Base-Base interactions energy: -40.565 where: short stacking energy: -19.436 Base-Backbone interact. energy: -0.032 local terms energy: -50.046102 where: bonds (distance) C4'-P energy: -10.108 bonds (distance) P-C4' energy: -15.333 flat angles C4'-P-C4' energy: -15.182 flat angles P-C4'-P energy: -5.595 tors. eta vs tors. theta energy: -3.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -69.879760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.879760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.879760 (E_RNA) where: Base-Base interactions energy: -28.073 where: short stacking energy: -13.908 Base-Backbone interact. energy: -0.363 local terms energy: -41.444591 where: bonds (distance) C4'-P energy: -13.284 bonds (distance) P-C4' energy: -15.441 flat angles C4'-P-C4' energy: -9.537 flat angles P-C4'-P energy: -9.624 tors. eta vs tors. theta energy: 6.442 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: 2 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -218.469461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.469461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.469461 (E_RNA) where: Base-Base interactions energy: -141.055 where: short stacking energy: -72.701 Base-Backbone interact. energy: -0.293 local terms energy: -77.121416 where: bonds (distance) C4'-P energy: -15.148 bonds (distance) P-C4' energy: -14.224 flat angles C4'-P-C4' energy: -15.577 flat angles P-C4'-P energy: -9.627 tors. eta vs tors. theta energy: -22.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -220.123364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.123364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.123364 (E_RNA) where: Base-Base interactions energy: -147.196 where: short stacking energy: -66.096 Base-Backbone interact. energy: -0.001 local terms energy: -72.927275 where: bonds (distance) C4'-P energy: -15.644 bonds (distance) P-C4' energy: -15.815 flat angles C4'-P-C4' energy: -15.880 flat angles P-C4'-P energy: -8.138 tors. eta vs tors. theta energy: -17.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -206.299480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.299480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.299480 (E_RNA) where: Base-Base interactions energy: -135.850 where: short stacking energy: -68.893 Base-Backbone interact. energy: -0.093 local terms energy: -70.356753 where: bonds (distance) C4'-P energy: -15.097 bonds (distance) P-C4' energy: -8.440 flat angles C4'-P-C4' energy: -15.892 flat angles P-C4'-P energy: -9.913 tors. eta vs tors. theta energy: -21.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -192.375982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.375982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.375982 (E_RNA) where: Base-Base interactions energy: -126.045 where: short stacking energy: -51.236 Base-Backbone interact. energy: -0.010 local terms energy: -66.321435 where: bonds (distance) C4'-P energy: -13.595 bonds (distance) P-C4' energy: -15.787 flat angles C4'-P-C4' energy: -10.782 flat angles P-C4'-P energy: -9.196 tors. eta vs tors. theta energy: -16.961 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: 8 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -114.705703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.705703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.705703 (E_RNA) where: Base-Base interactions energy: -52.051 where: short stacking energy: -42.840 Base-Backbone interact. energy: -0.111 local terms energy: -62.544253 where: bonds (distance) C4'-P energy: -13.541 bonds (distance) P-C4' energy: -15.502 flat angles C4'-P-C4' energy: -15.226 flat angles P-C4'-P energy: -8.963 tors. eta vs tors. theta energy: -9.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -171.850063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.850063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.850063 (E_RNA) where: Base-Base interactions energy: -105.883 where: short stacking energy: -53.870 Base-Backbone interact. energy: -0.011 local terms energy: -65.956071 where: bonds (distance) C4'-P energy: -10.709 bonds (distance) P-C4' energy: -15.315 flat angles C4'-P-C4' energy: -11.865 flat angles P-C4'-P energy: -9.039 tors. eta vs tors. theta energy: -19.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -109.202140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.202140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.202140 (E_RNA) where: Base-Base interactions energy: -50.624 where: short stacking energy: -41.881 Base-Backbone interact. energy: -0.256 local terms energy: -58.322647 where: bonds (distance) C4'-P energy: -15.164 bonds (distance) P-C4' energy: -16.339 flat angles C4'-P-C4' energy: -8.482 flat angles P-C4'-P energy: -9.558 tors. eta vs tors. theta energy: -8.779 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: 9 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -80.326299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.326299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.326299 (E_RNA) where: Base-Base interactions energy: -30.993 where: short stacking energy: -23.363 Base-Backbone interact. energy: 0.065 local terms energy: -49.397951 where: bonds (distance) C4'-P energy: -11.338 bonds (distance) P-C4' energy: -11.781 flat angles C4'-P-C4' energy: -15.530 flat angles P-C4'-P energy: -6.882 tors. eta vs tors. theta energy: -3.866 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: 9, replica: 7 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -76.106291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.106291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.106291 (E_RNA) where: Base-Base interactions energy: -29.189 where: short stacking energy: -17.777 Base-Backbone interact. energy: 0.118 local terms energy: -47.035549 where: bonds (distance) C4'-P energy: -13.453 bonds (distance) P-C4' energy: -15.125 flat angles C4'-P-C4' energy: -12.125 flat angles P-C4'-P energy: -5.225 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: 3 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -80.328111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.328111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.328111 (E_RNA) where: Base-Base interactions energy: -27.466 where: short stacking energy: -23.573 Base-Backbone interact. energy: -1.090 local terms energy: -51.771455 where: bonds (distance) C4'-P energy: -15.885 bonds (distance) P-C4' energy: -15.579 flat angles C4'-P-C4' energy: -11.161 flat angles P-C4'-P energy: -7.488 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: 1, replica: 2 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -212.193455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.193455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.193455 (E_RNA) where: Base-Base interactions energy: -137.976 where: short stacking energy: -68.693 Base-Backbone interact. energy: -0.070 local terms energy: -74.147872 where: bonds (distance) C4'-P energy: -13.395 bonds (distance) P-C4' energy: -14.060 flat angles C4'-P-C4' energy: -17.422 flat angles P-C4'-P energy: -10.295 tors. eta vs tors. theta energy: -18.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -212.643329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.643329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.643329 (E_RNA) where: Base-Base interactions energy: -138.261 where: short stacking energy: -67.492 Base-Backbone interact. energy: -0.342 local terms energy: -74.039864 where: bonds (distance) C4'-P energy: -15.578 bonds (distance) P-C4' energy: -17.323 flat angles C4'-P-C4' energy: -16.090 flat angles P-C4'-P energy: -11.486 tors. eta vs tors. theta energy: -13.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -198.226228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.226228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.226228 (E_RNA) where: Base-Base interactions energy: -131.327 where: short stacking energy: -56.377 Base-Backbone interact. energy: -0.003 local terms energy: -66.896623 where: bonds (distance) C4'-P energy: -13.872 bonds (distance) P-C4' energy: -15.001 flat angles C4'-P-C4' energy: -12.035 flat angles P-C4'-P energy: -9.775 tors. eta vs tors. theta energy: -16.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -197.378165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.378165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.378165 (E_RNA) where: Base-Base interactions energy: -130.784 where: short stacking energy: -63.602 Base-Backbone interact. energy: -0.409 local terms energy: -66.185430 where: bonds (distance) C4'-P energy: -8.312 bonds (distance) P-C4' energy: -14.192 flat angles C4'-P-C4' energy: -14.158 flat angles P-C4'-P energy: -10.661 tors. eta vs tors. theta energy: -18.862 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: 5, replica: 4 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -133.240026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.240026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.240026 (E_RNA) where: Base-Base interactions energy: -80.268 where: short stacking energy: -37.952 Base-Backbone interact. energy: -0.113 local terms energy: -52.859894 where: bonds (distance) C4'-P energy: -14.187 bonds (distance) P-C4' energy: -12.748 flat angles C4'-P-C4' energy: -7.288 flat angles P-C4'-P energy: -9.653 tors. eta vs tors. theta energy: -8.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -91.283518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.283518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.283518 (E_RNA) where: Base-Base interactions energy: -36.127 where: short stacking energy: -31.247 Base-Backbone interact. energy: -0.541 local terms energy: -54.615680 where: bonds (distance) C4'-P energy: -12.720 bonds (distance) P-C4' energy: -16.351 flat angles C4'-P-C4' energy: -12.391 flat angles P-C4'-P energy: -9.660 tors. eta vs tors. theta energy: -3.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -98.322698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.322698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.322698 (E_RNA) where: Base-Base interactions energy: -46.702 where: short stacking energy: -23.639 Base-Backbone interact. energy: -0.173 local terms energy: -51.447379 where: bonds (distance) C4'-P energy: -14.776 bonds (distance) P-C4' energy: -12.722 flat angles C4'-P-C4' energy: -17.102 flat angles P-C4'-P energy: -3.152 tors. eta vs tors. theta energy: -3.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -86.823710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.823710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.823710 (E_RNA) where: Base-Base interactions energy: -34.983 where: short stacking energy: -28.246 Base-Backbone interact. energy: -0.080 local terms energy: -51.759884 where: bonds (distance) C4'-P energy: -10.987 bonds (distance) P-C4' energy: -17.320 flat angles C4'-P-C4' energy: -13.381 flat angles P-C4'-P energy: -6.064 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: 9, replica: 3 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -79.161914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.161914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.161914 (E_RNA) where: Base-Base interactions energy: -34.061 where: short stacking energy: -21.128 Base-Backbone interact. energy: -0.167 local terms energy: -44.933839 where: bonds (distance) C4'-P energy: -10.631 bonds (distance) P-C4' energy: -15.097 flat angles C4'-P-C4' energy: -9.114 flat angles P-C4'-P energy: -6.325 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: 7 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -124.549026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.549026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.549026 (E_RNA) where: Base-Base interactions energy: -73.524 where: short stacking energy: -35.627 Base-Backbone interact. energy: -0.224 local terms energy: -50.800527 where: bonds (distance) C4'-P energy: -13.205 bonds (distance) P-C4' energy: -14.231 flat angles C4'-P-C4' energy: -11.034 flat angles P-C4'-P energy: -5.133 tors. eta vs tors. theta energy: -7.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -212.189165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.189165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.189165 (E_RNA) where: Base-Base interactions energy: -133.917 where: short stacking energy: -68.694 Base-Backbone interact. energy: -0.089 local terms energy: -78.183450 where: bonds (distance) C4'-P energy: -15.681 bonds (distance) P-C4' energy: -16.541 flat angles C4'-P-C4' energy: -17.457 flat angles P-C4'-P energy: -9.527 tors. eta vs tors. theta energy: -18.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -213.907318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.907318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.907318 (E_RNA) where: Base-Base interactions energy: -140.092 where: short stacking energy: -69.256 Base-Backbone interact. energy: -0.236 local terms energy: -73.579268 where: bonds (distance) C4'-P energy: -14.171 bonds (distance) P-C4' energy: -14.815 flat angles C4'-P-C4' energy: -14.640 flat angles P-C4'-P energy: -12.682 tors. eta vs tors. theta energy: -17.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -194.880515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.880515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.880515 (E_RNA) where: Base-Base interactions energy: -130.659 where: short stacking energy: -59.268 Base-Backbone interact. energy: -0.002 local terms energy: -64.219100 where: bonds (distance) C4'-P energy: -12.498 bonds (distance) P-C4' energy: -14.683 flat angles C4'-P-C4' energy: -13.926 flat angles P-C4'-P energy: -9.812 tors. eta vs tors. theta energy: -13.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -206.558918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.558918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.558918 (E_RNA) where: Base-Base interactions energy: -135.965 where: short stacking energy: -64.593 Base-Backbone interact. energy: -0.407 local terms energy: -70.187359 where: bonds (distance) C4'-P energy: -13.488 bonds (distance) P-C4' energy: -11.136 flat angles C4'-P-C4' energy: -16.115 flat angles P-C4'-P energy: -12.474 tors. eta vs tors. theta energy: -16.975 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: 4 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -144.665151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.665151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.665151 (E_RNA) where: Base-Base interactions energy: -88.414 where: short stacking energy: -47.734 Base-Backbone interact. energy: -0.158 local terms energy: -56.093544 where: bonds (distance) C4'-P energy: -10.489 bonds (distance) P-C4' energy: -11.194 flat angles C4'-P-C4' energy: -14.067 flat angles P-C4'-P energy: -9.225 tors. eta vs tors. theta energy: -11.118 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: 6 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -102.870611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.870611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.870611 (E_RNA) where: Base-Base interactions energy: -56.973 where: short stacking energy: -30.271 Base-Backbone interact. energy: 1.966 local terms energy: -47.863844 where: bonds (distance) C4'-P energy: -13.442 bonds (distance) P-C4' energy: -13.547 flat angles C4'-P-C4' energy: -11.842 flat angles P-C4'-P energy: -6.795 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: 7, replica: 8 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -87.736813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.736813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.736813 (E_RNA) where: Base-Base interactions energy: -28.723 where: short stacking energy: -18.878 Base-Backbone interact. energy: -0.066 local terms energy: -58.947456 where: bonds (distance) C4'-P energy: -15.368 bonds (distance) P-C4' energy: -16.193 flat angles C4'-P-C4' energy: -14.641 flat angles P-C4'-P energy: -9.879 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: 8, replica: 3 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -87.490169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.490169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.490169 (E_RNA) where: Base-Base interactions energy: -34.048 where: short stacking energy: -34.048 Base-Backbone interact. energy: -0.537 local terms energy: -52.905389 where: bonds (distance) C4'-P energy: -11.777 bonds (distance) P-C4' energy: -12.570 flat angles C4'-P-C4' energy: -13.470 flat angles P-C4'-P energy: -4.760 tors. eta vs tors. theta energy: -10.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -84.912847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.912847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.912847 (E_RNA) where: Base-Base interactions energy: -31.348 where: short stacking energy: -21.762 Base-Backbone interact. energy: -0.079 local terms energy: -53.485924 where: bonds (distance) C4'-P energy: -15.921 bonds (distance) P-C4' energy: -15.330 flat angles C4'-P-C4' energy: -11.807 flat angles P-C4'-P energy: -7.440 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: 7 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -110.519899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.519899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.519899 (E_RNA) where: Base-Base interactions energy: -57.322 where: short stacking energy: -27.841 Base-Backbone interact. energy: -0.485 local terms energy: -52.713344 where: bonds (distance) C4'-P energy: -15.540 bonds (distance) P-C4' energy: -12.848 flat angles C4'-P-C4' energy: -16.372 flat angles P-C4'-P energy: -6.750 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: 1, replica: 2 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -214.510611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.510611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.510611 (E_RNA) where: Base-Base interactions energy: -137.452 where: short stacking energy: -68.659 Base-Backbone interact. energy: -0.028 local terms energy: -77.031039 where: bonds (distance) C4'-P energy: -15.921 bonds (distance) P-C4' energy: -15.244 flat angles C4'-P-C4' energy: -15.119 flat angles P-C4'-P energy: -9.338 tors. eta vs tors. theta energy: -21.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -214.148272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.148272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.148272 (E_RNA) where: Base-Base interactions energy: -145.091 where: short stacking energy: -68.933 Base-Backbone interact. energy: 0.299 local terms energy: -69.356273 where: bonds (distance) C4'-P energy: -12.201 bonds (distance) P-C4' energy: -14.079 flat angles C4'-P-C4' energy: -15.602 flat angles P-C4'-P energy: -10.035 tors. eta vs tors. theta energy: -17.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -196.691076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.691076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.691076 (E_RNA) where: Base-Base interactions energy: -135.504 where: short stacking energy: -58.277 Base-Backbone interact. energy: -0.071 local terms energy: -61.116082 where: bonds (distance) C4'-P energy: -13.126 bonds (distance) P-C4' energy: -12.483 flat angles C4'-P-C4' energy: -15.430 flat angles P-C4'-P energy: -7.942 tors. eta vs tors. theta energy: -12.134 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: 1 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -207.986888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.986888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.986888 (E_RNA) where: Base-Base interactions energy: -130.149 where: short stacking energy: -62.837 Base-Backbone interact. energy: -0.024 local terms energy: -77.813733 where: bonds (distance) C4'-P energy: -14.614 bonds (distance) P-C4' energy: -15.775 flat angles C4'-P-C4' energy: -16.993 flat angles P-C4'-P energy: -12.552 tors. eta vs tors. theta energy: -17.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -138.259872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.259872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.259872 (E_RNA) where: Base-Base interactions energy: -84.664 where: short stacking energy: -37.884 Base-Backbone interact. energy: -0.143 local terms energy: -53.453271 where: bonds (distance) C4'-P energy: -12.933 bonds (distance) P-C4' energy: -14.040 flat angles C4'-P-C4' energy: -14.468 flat angles P-C4'-P energy: -4.485 tors. eta vs tors. theta energy: -7.527 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: 6 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -124.691575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.691575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.691575 (E_RNA) where: Base-Base interactions energy: -66.856 where: short stacking energy: -37.458 Base-Backbone interact. energy: -0.014 local terms energy: -57.821224 where: bonds (distance) C4'-P energy: -15.097 bonds (distance) P-C4' energy: -12.477 flat angles C4'-P-C4' energy: -13.110 flat angles P-C4'-P energy: -10.344 tors. eta vs tors. theta energy: -6.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -96.205064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.205064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.205064 (E_RNA) where: Base-Base interactions energy: -43.145 where: short stacking energy: -35.743 Base-Backbone interact. energy: -0.259 local terms energy: -52.801390 where: bonds (distance) C4'-P energy: -15.897 bonds (distance) P-C4' energy: -14.801 flat angles C4'-P-C4' energy: -11.622 flat angles P-C4'-P energy: -6.430 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: 8, replica: 8 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -86.148705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.148705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.148705 (E_RNA) where: Base-Base interactions energy: -45.407 where: short stacking energy: -31.471 Base-Backbone interact. energy: 0.247 local terms energy: -40.988815 where: bonds (distance) C4'-P energy: -11.874 bonds (distance) P-C4' energy: -8.239 flat angles C4'-P-C4' energy: -11.320 flat angles P-C4'-P energy: -9.757 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: 9, replica: 9 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -82.301227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.301227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.301227 (E_RNA) where: Base-Base interactions energy: -29.150 where: short stacking energy: -29.014 Base-Backbone interact. energy: -0.209 local terms energy: -52.941745 where: bonds (distance) C4'-P energy: -14.691 bonds (distance) P-C4' energy: -12.232 flat angles C4'-P-C4' energy: -11.961 flat angles P-C4'-P energy: -8.835 tors. eta vs tors. theta energy: -5.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -80.569130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.569130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.569130 (E_RNA) where: Base-Base interactions energy: -35.094 where: short stacking energy: -35.094 Base-Backbone interact. energy: -0.009 local terms energy: -45.465750 where: bonds (distance) C4'-P energy: -14.531 bonds (distance) P-C4' energy: -11.143 flat angles C4'-P-C4' energy: -10.386 flat angles P-C4'-P energy: -4.614 tors. eta vs tors. theta energy: -4.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -214.244136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.244136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.244136 (E_RNA) where: Base-Base interactions energy: -142.224 where: short stacking energy: -68.033 Base-Backbone interact. energy: -0.555 local terms energy: -71.465169 where: bonds (distance) C4'-P energy: -13.205 bonds (distance) P-C4' energy: -14.952 flat angles C4'-P-C4' energy: -12.604 flat angles P-C4'-P energy: -10.943 tors. eta vs tors. theta energy: -19.760 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: 35 Temperature: 0.950000 Total energy: -196.371123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.371123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.371123 (E_RNA) where: Base-Base interactions energy: -126.431 where: short stacking energy: -55.747 Base-Backbone interact. energy: -0.043 local terms energy: -69.897132 where: bonds (distance) C4'-P energy: -12.610 bonds (distance) P-C4' energy: -15.913 flat angles C4'-P-C4' energy: -15.346 flat angles P-C4'-P energy: -10.758 tors. eta vs tors. theta energy: -15.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -212.470721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.470721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.470721 (E_RNA) where: Base-Base interactions energy: -143.303 where: short stacking energy: -68.008 Base-Backbone interact. energy: -1.312 local terms energy: -67.856163 where: bonds (distance) C4'-P energy: -11.503 bonds (distance) P-C4' energy: -13.435 flat angles C4'-P-C4' energy: -13.268 flat angles P-C4'-P energy: -12.153 tors. eta vs tors. theta energy: -17.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -206.944799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.944799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.944799 (E_RNA) where: Base-Base interactions energy: -136.103 where: short stacking energy: -66.165 Base-Backbone interact. energy: -0.791 local terms energy: -70.050585 where: bonds (distance) C4'-P energy: -14.928 bonds (distance) P-C4' energy: -14.844 flat angles C4'-P-C4' energy: -14.642 flat angles P-C4'-P energy: -8.745 tors. eta vs tors. theta energy: -16.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -129.832504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.832504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.832504 (E_RNA) where: Base-Base interactions energy: -75.827 where: short stacking energy: -47.542 Base-Backbone interact. energy: -0.052 local terms energy: -53.953257 where: bonds (distance) C4'-P energy: -10.667 bonds (distance) P-C4' energy: -16.886 flat angles C4'-P-C4' energy: -15.129 flat angles P-C4'-P energy: -5.972 tors. eta vs tors. theta energy: -5.299 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: 3 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -150.687002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.687002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.687002 (E_RNA) where: Base-Base interactions energy: -88.464 where: short stacking energy: -42.076 Base-Backbone interact. energy: -0.256 local terms energy: -61.967552 where: bonds (distance) C4'-P energy: -11.636 bonds (distance) P-C4' energy: -14.596 flat angles C4'-P-C4' energy: -12.325 flat angles P-C4'-P energy: -10.005 tors. eta vs tors. theta energy: -13.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -142.566563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.566563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.566563 (E_RNA) where: Base-Base interactions energy: -82.817 where: short stacking energy: -50.292 Base-Backbone interact. energy: -0.434 local terms energy: -59.315569 where: bonds (distance) C4'-P energy: -12.389 bonds (distance) P-C4' energy: -16.569 flat angles C4'-P-C4' energy: -12.353 flat angles P-C4'-P energy: -4.473 tors. eta vs tors. theta energy: -13.532 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: 35 Temperature: 1.250000 Total energy: -77.692936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.692936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.692936 (E_RNA) where: Base-Base interactions energy: -26.602 where: short stacking energy: -17.943 Base-Backbone interact. energy: -0.358 local terms energy: -50.732886 where: bonds (distance) C4'-P energy: -15.478 bonds (distance) P-C4' energy: -14.628 flat angles C4'-P-C4' energy: -12.372 flat angles P-C4'-P energy: -7.098 tors. eta vs tors. theta energy: -1.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -78.670918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.670918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.670918 (E_RNA) where: Base-Base interactions energy: -31.328 where: short stacking energy: -31.328 Base-Backbone interact. energy: 0.067 local terms energy: -47.410007 where: bonds (distance) C4'-P energy: -13.469 bonds (distance) P-C4' energy: -12.775 flat angles C4'-P-C4' energy: -9.808 flat angles P-C4'-P energy: -8.401 tors. eta vs tors. theta energy: -2.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -85.854475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.854475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.854475 (E_RNA) where: Base-Base interactions energy: -47.261 where: short stacking energy: -27.005 Base-Backbone interact. energy: -0.405 local terms energy: -38.188827 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -17.094 flat angles C4'-P-C4' energy: -8.928 flat angles P-C4'-P energy: -4.457 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: 2 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -212.491822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.491822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.491822 (E_RNA) where: Base-Base interactions energy: -138.904 where: short stacking energy: -64.377 Base-Backbone interact. energy: -0.069 local terms energy: -73.518999 where: bonds (distance) C4'-P energy: -15.954 bonds (distance) P-C4' energy: -13.155 flat angles C4'-P-C4' energy: -15.815 flat angles P-C4'-P energy: -11.616 tors. eta vs tors. theta energy: -16.979 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: 36 Temperature: 0.950000 Total energy: -202.553717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.553717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.553717 (E_RNA) where: Base-Base interactions energy: -133.352 where: short stacking energy: -55.122 Base-Backbone interact. energy: -0.417 local terms energy: -68.784669 where: bonds (distance) C4'-P energy: -11.198 bonds (distance) P-C4' energy: -18.265 flat angles C4'-P-C4' energy: -14.319 flat angles P-C4'-P energy: -7.928 tors. eta vs tors. theta energy: -17.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -205.496487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.496487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.496487 (E_RNA) where: Base-Base interactions energy: -129.239 where: short stacking energy: -64.187 Base-Backbone interact. energy: -0.630 local terms energy: -75.627336 where: bonds (distance) C4'-P energy: -12.991 bonds (distance) P-C4' energy: -16.924 flat angles C4'-P-C4' energy: -15.603 flat angles P-C4'-P energy: -11.635 tors. eta vs tors. theta energy: -18.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -212.426581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.426581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.426581 (E_RNA) where: Base-Base interactions energy: -140.223 where: short stacking energy: -59.318 Base-Backbone interact. energy: -0.011 local terms energy: -72.192595 where: bonds (distance) C4'-P energy: -12.353 bonds (distance) P-C4' energy: -16.615 flat angles C4'-P-C4' energy: -16.593 flat angles P-C4'-P energy: -11.905 tors. eta vs tors. theta energy: -14.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -154.508915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.508915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.508915 (E_RNA) where: Base-Base interactions energy: -90.163 where: short stacking energy: -45.854 Base-Backbone interact. energy: -0.137 local terms energy: -64.208073 where: bonds (distance) C4'-P energy: -15.156 bonds (distance) P-C4' energy: -15.150 flat angles C4'-P-C4' energy: -15.174 flat angles P-C4'-P energy: -8.840 tors. eta vs tors. theta energy: -9.888 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: 4 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -154.395515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.395515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.395515 (E_RNA) where: Base-Base interactions energy: -98.829 where: short stacking energy: -51.364 Base-Backbone interact. energy: -0.316 local terms energy: -55.250730 where: bonds (distance) C4'-P energy: -13.081 bonds (distance) P-C4' energy: -10.894 flat angles C4'-P-C4' energy: -11.528 flat angles P-C4'-P energy: -9.974 tors. eta vs tors. theta energy: -9.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -130.574129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.574129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.574129 (E_RNA) where: Base-Base interactions energy: -80.955 where: short stacking energy: -43.152 Base-Backbone interact. energy: -0.430 local terms energy: -49.189549 where: bonds (distance) C4'-P energy: -12.022 bonds (distance) P-C4' energy: -10.655 flat angles C4'-P-C4' energy: -12.921 flat angles P-C4'-P energy: -7.239 tors. eta vs tors. theta energy: -6.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -77.293569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.293569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.293569 (E_RNA) where: Base-Base interactions energy: -25.709 where: short stacking energy: -20.761 Base-Backbone interact. energy: -0.191 local terms energy: -51.393633 where: bonds (distance) C4'-P energy: -15.574 bonds (distance) P-C4' energy: -15.011 flat angles C4'-P-C4' energy: -15.179 flat angles P-C4'-P energy: -3.725 tors. eta vs tors. theta energy: -1.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -96.854504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.854504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.854504 (E_RNA) where: Base-Base interactions energy: -39.154 where: short stacking energy: -39.154 Base-Backbone interact. energy: -0.072 local terms energy: -57.628085 where: bonds (distance) C4'-P energy: -12.344 bonds (distance) P-C4' energy: -15.589 flat angles C4'-P-C4' energy: -12.894 flat angles P-C4'-P energy: -5.852 tors. eta vs tors. theta energy: -10.948 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: 8 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -78.785909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.785909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.785909 (E_RNA) where: Base-Base interactions energy: -31.599 where: short stacking energy: -20.720 Base-Backbone interact. energy: -0.506 local terms energy: -46.681196 where: bonds (distance) C4'-P energy: -10.550 bonds (distance) P-C4' energy: -13.008 flat angles C4'-P-C4' energy: -14.011 flat angles P-C4'-P energy: -8.601 tors. eta vs tors. theta energy: -0.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -214.368139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.368139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.368139 (E_RNA) where: Base-Base interactions energy: -142.902 where: short stacking energy: -72.969 Base-Backbone interact. energy: 0.887 local terms energy: -72.352789 where: bonds (distance) C4'-P energy: -10.535 bonds (distance) P-C4' energy: -14.281 flat angles C4'-P-C4' energy: -16.244 flat angles P-C4'-P energy: -12.369 tors. eta vs tors. theta energy: -18.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -210.207620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.207620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.207620 (E_RNA) where: Base-Base interactions energy: -133.517 where: short stacking energy: -63.311 Base-Backbone interact. energy: -1.091 local terms energy: -75.599450 where: bonds (distance) C4'-P energy: -15.566 bonds (distance) P-C4' energy: -17.048 flat angles C4'-P-C4' energy: -14.223 flat angles P-C4'-P energy: -10.588 tors. eta vs tors. theta energy: -18.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -203.557727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.557727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.557727 (E_RNA) where: Base-Base interactions energy: -133.105 where: short stacking energy: -58.129 Base-Backbone interact. energy: -0.735 local terms energy: -69.717951 where: bonds (distance) C4'-P energy: -16.360 bonds (distance) P-C4' energy: -13.736 flat angles C4'-P-C4' energy: -14.025 flat angles P-C4'-P energy: -10.236 tors. eta vs tors. theta energy: -15.360 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: 10 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -204.438250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.438250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.438250 (E_RNA) where: Base-Base interactions energy: -142.601 where: short stacking energy: -63.428 Base-Backbone interact. energy: -0.001 local terms energy: -61.836238 where: bonds (distance) C4'-P energy: -7.264 bonds (distance) P-C4' energy: -14.911 flat angles C4'-P-C4' energy: -12.346 flat angles P-C4'-P energy: -9.120 tors. eta vs tors. theta energy: -18.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -177.241205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.241205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.241205 (E_RNA) where: Base-Base interactions energy: -114.553 where: short stacking energy: -64.428 Base-Backbone interact. energy: -0.020 local terms energy: -62.668226 where: bonds (distance) C4'-P energy: -12.451 bonds (distance) P-C4' energy: -10.784 flat angles C4'-P-C4' energy: -11.501 flat angles P-C4'-P energy: -11.508 tors. eta vs tors. theta energy: -16.424 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: 4 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -149.853876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.853876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.853876 (E_RNA) where: Base-Base interactions energy: -93.823 where: short stacking energy: -44.811 Base-Backbone interact. energy: -0.015 local terms energy: -56.015661 where: bonds (distance) C4'-P energy: -13.823 bonds (distance) P-C4' energy: -13.053 flat angles C4'-P-C4' energy: -9.788 flat angles P-C4'-P energy: -5.147 tors. eta vs tors. theta energy: -14.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -129.341254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.341254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.341254 (E_RNA) where: Base-Base interactions energy: -79.487 where: short stacking energy: -36.936 Base-Backbone interact. energy: -0.635 local terms energy: -49.219623 where: bonds (distance) C4'-P energy: -11.181 bonds (distance) P-C4' energy: -13.416 flat angles C4'-P-C4' energy: -12.473 flat angles P-C4'-P energy: -8.416 tors. eta vs tors. theta energy: -3.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -93.146298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.146298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.146298 (E_RNA) where: Base-Base interactions energy: -50.285 where: short stacking energy: -25.051 Base-Backbone interact. energy: -0.418 local terms energy: -42.442969 where: bonds (distance) C4'-P energy: -8.818 bonds (distance) P-C4' energy: -12.808 flat angles C4'-P-C4' energy: -9.117 flat angles P-C4'-P energy: -9.035 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: 9, replica: 9 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -101.919736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.919736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.919736 (E_RNA) where: Base-Base interactions energy: -49.896 where: short stacking energy: -20.866 Base-Backbone interact. energy: -0.227 local terms energy: -51.796729 where: bonds (distance) C4'-P energy: -9.482 bonds (distance) P-C4' energy: -18.243 flat angles C4'-P-C4' energy: -10.224 flat angles P-C4'-P energy: -9.863 tors. eta vs tors. theta energy: -3.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -72.592444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.592444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.592444 (E_RNA) where: Base-Base interactions energy: -28.898 where: short stacking energy: -20.387 Base-Backbone interact. energy: -0.711 local terms energy: -42.984022 where: bonds (distance) C4'-P energy: -11.322 bonds (distance) P-C4' energy: -14.504 flat angles C4'-P-C4' energy: -13.383 flat angles P-C4'-P energy: -3.055 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: 1, replica: 1 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -208.896847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.896847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.896847 (E_RNA) where: Base-Base interactions energy: -133.944 where: short stacking energy: -66.425 Base-Backbone interact. energy: -0.006 local terms energy: -74.947174 where: bonds (distance) C4'-P energy: -14.224 bonds (distance) P-C4' energy: -13.127 flat angles C4'-P-C4' energy: -15.051 flat angles P-C4'-P energy: -11.808 tors. eta vs tors. theta energy: -20.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -212.447986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.447986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.447986 (E_RNA) where: Base-Base interactions energy: -135.293 where: short stacking energy: -67.965 Base-Backbone interact. energy: -0.285 local terms energy: -76.870966 where: bonds (distance) C4'-P energy: -12.846 bonds (distance) P-C4' energy: -15.533 flat angles C4'-P-C4' energy: -14.553 flat angles P-C4'-P energy: -13.519 tors. eta vs tors. theta energy: -20.420 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: 10 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -211.391142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.391142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.391142 (E_RNA) where: Base-Base interactions energy: -142.715 where: short stacking energy: -60.026 Base-Backbone interact. energy: -0.372 local terms energy: -68.303591 where: bonds (distance) C4'-P energy: -11.934 bonds (distance) P-C4' energy: -17.581 flat angles C4'-P-C4' energy: -14.545 flat angles P-C4'-P energy: -5.233 tors. eta vs tors. theta energy: -19.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -193.539764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.539764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.539764 (E_RNA) where: Base-Base interactions energy: -128.656 where: short stacking energy: -57.759 Base-Backbone interact. energy: -0.108 local terms energy: -64.776318 where: bonds (distance) C4'-P energy: -9.844 bonds (distance) P-C4' energy: -16.854 flat angles C4'-P-C4' energy: -11.434 flat angles P-C4'-P energy: -9.777 tors. eta vs tors. theta energy: -16.867 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: 5, replica: 3 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -177.888770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.888770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.888770 (E_RNA) where: Base-Base interactions energy: -110.514 where: short stacking energy: -51.996 Base-Backbone interact. energy: -0.321 local terms energy: -67.053076 where: bonds (distance) C4'-P energy: -12.654 bonds (distance) P-C4' energy: -17.041 flat angles C4'-P-C4' energy: -13.809 flat angles P-C4'-P energy: -8.313 tors. eta vs tors. theta energy: -15.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -154.800291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.800291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.800291 (E_RNA) where: Base-Base interactions energy: -98.988 where: short stacking energy: -39.554 Base-Backbone interact. energy: 0.109 local terms energy: -55.922015 where: bonds (distance) C4'-P energy: -13.541 bonds (distance) P-C4' energy: -13.180 flat angles C4'-P-C4' energy: -14.915 flat angles P-C4'-P energy: -6.130 tors. eta vs tors. theta energy: -8.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -134.625399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.625399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.625399 (E_RNA) where: Base-Base interactions energy: -78.778 where: short stacking energy: -40.707 Base-Backbone interact. energy: -0.114 local terms energy: -55.733799 where: bonds (distance) C4'-P energy: -15.549 bonds (distance) P-C4' energy: -8.846 flat angles C4'-P-C4' energy: -14.305 flat angles P-C4'-P energy: -7.799 tors. eta vs tors. theta energy: -9.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -76.521449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.521449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.521449 (E_RNA) where: Base-Base interactions energy: -31.361 where: short stacking energy: -31.361 Base-Backbone interact. energy: -0.247 local terms energy: -44.913412 where: bonds (distance) C4'-P energy: -13.090 bonds (distance) P-C4' energy: -12.483 flat angles C4'-P-C4' energy: -13.454 flat angles P-C4'-P energy: -7.114 tors. eta vs tors. theta energy: 1.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -123.715729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.715729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.715729 (E_RNA) where: Base-Base interactions energy: -72.595 where: short stacking energy: -35.369 Base-Backbone interact. energy: -0.119 local terms energy: -51.001981 where: bonds (distance) C4'-P energy: -11.943 bonds (distance) P-C4' energy: -14.871 flat angles C4'-P-C4' energy: -14.952 flat angles P-C4'-P energy: -0.646 tors. eta vs tors. theta energy: -8.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -81.506127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.506127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.506127 (E_RNA) where: Base-Base interactions energy: -32.679 where: short stacking energy: -28.591 Base-Backbone interact. energy: 0.531 local terms energy: -49.358248 where: bonds (distance) C4'-P energy: -9.606 bonds (distance) P-C4' energy: -13.158 flat angles C4'-P-C4' energy: -13.413 flat angles P-C4'-P energy: -6.447 tors. eta vs tors. theta energy: -6.734 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: 1, replica: 1 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -209.667807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.667807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.667807 (E_RNA) where: Base-Base interactions energy: -131.163 where: short stacking energy: -61.787 Base-Backbone interact. energy: -0.141 local terms energy: -78.363738 where: bonds (distance) C4'-P energy: -15.585 bonds (distance) P-C4' energy: -17.263 flat angles C4'-P-C4' energy: -14.914 flat angles P-C4'-P energy: -12.219 tors. eta vs tors. theta energy: -18.382 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: 2, replica: 10 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -218.376856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.376856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.376856 (E_RNA) where: Base-Base interactions energy: -153.783 where: short stacking energy: -69.733 Base-Backbone interact. energy: -0.002 local terms energy: -64.592536 where: bonds (distance) C4'-P energy: -13.976 bonds (distance) P-C4' energy: -8.375 flat angles C4'-P-C4' energy: -11.603 flat angles P-C4'-P energy: -12.925 tors. eta vs tors. theta energy: -17.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -206.804955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.804955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.804955 (E_RNA) where: Base-Base interactions energy: -129.761 where: short stacking energy: -63.332 Base-Backbone interact. energy: -0.975 local terms energy: -76.068746 where: bonds (distance) C4'-P energy: -16.070 bonds (distance) P-C4' energy: -15.652 flat angles C4'-P-C4' energy: -14.532 flat angles P-C4'-P energy: -11.397 tors. eta vs tors. theta energy: -18.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -190.493892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.493892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.493892 (E_RNA) where: Base-Base interactions energy: -126.068 where: short stacking energy: -60.224 Base-Backbone interact. energy: -0.188 local terms energy: -64.238094 where: bonds (distance) C4'-P energy: -11.235 bonds (distance) P-C4' energy: -13.545 flat angles C4'-P-C4' energy: -12.415 flat angles P-C4'-P energy: -12.831 tors. eta vs tors. theta energy: -14.211 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: 5, replica: 5 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -182.956970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.956970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.956970 (E_RNA) where: Base-Base interactions energy: -123.919 where: short stacking energy: -52.459 Base-Backbone interact. energy: -0.000 local terms energy: -59.038283 where: bonds (distance) C4'-P energy: -9.422 bonds (distance) P-C4' energy: -15.391 flat angles C4'-P-C4' energy: -13.474 flat angles P-C4'-P energy: -5.413 tors. eta vs tors. theta energy: -15.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -138.604602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.604602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.604602 (E_RNA) where: Base-Base interactions energy: -84.444 where: short stacking energy: -46.742 Base-Backbone interact. energy: -0.011 local terms energy: -54.149989 where: bonds (distance) C4'-P energy: -13.851 bonds (distance) P-C4' energy: -15.015 flat angles C4'-P-C4' energy: -8.725 flat angles P-C4'-P energy: -7.895 tors. eta vs tors. theta energy: -8.664 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: 4 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -160.022954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.022954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.022954 (E_RNA) where: Base-Base interactions energy: -100.203 where: short stacking energy: -47.015 Base-Backbone interact. energy: 0.305 local terms energy: -60.125117 where: bonds (distance) C4'-P energy: -12.196 bonds (distance) P-C4' energy: -12.554 flat angles C4'-P-C4' energy: -14.007 flat angles P-C4'-P energy: -11.388 tors. eta vs tors. theta energy: -9.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -130.876113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.876113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.876113 (E_RNA) where: Base-Base interactions energy: -79.828 where: short stacking energy: -40.843 Base-Backbone interact. energy: -0.125 local terms energy: -50.922822 where: bonds (distance) C4'-P energy: -13.275 bonds (distance) P-C4' energy: -13.443 flat angles C4'-P-C4' energy: -6.511 flat angles P-C4'-P energy: -7.990 tors. eta vs tors. theta energy: -9.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -79.891995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.891995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.891995 (E_RNA) where: Base-Base interactions energy: -34.411 where: short stacking energy: -34.279 Base-Backbone interact. energy: -0.137 local terms energy: -45.343836 where: bonds (distance) C4'-P energy: -13.044 bonds (distance) P-C4' energy: -8.654 flat angles C4'-P-C4' energy: -10.800 flat angles P-C4'-P energy: -9.184 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: 10, replica: 8 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -112.829099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.829099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.829099 (E_RNA) where: Base-Base interactions energy: -56.064 where: short stacking energy: -32.140 Base-Backbone interact. energy: 0.379 local terms energy: -57.144266 where: bonds (distance) C4'-P energy: -12.605 bonds (distance) P-C4' energy: -14.883 flat angles C4'-P-C4' energy: -15.021 flat angles P-C4'-P energy: -8.092 tors. eta vs tors. theta energy: -6.544 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: 10 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -215.027410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.027410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.027410 (E_RNA) where: Base-Base interactions energy: -155.327 where: short stacking energy: -57.805 Base-Backbone interact. energy: -0.259 local terms energy: -59.441640 where: bonds (distance) C4'-P energy: -13.301 bonds (distance) P-C4' energy: -18.247 flat angles C4'-P-C4' energy: -12.314 flat angles P-C4'-P energy: 0.224 tors. eta vs tors. theta energy: -15.804 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: 1 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -205.854172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.854172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.854172 (E_RNA) where: Base-Base interactions energy: -130.152 where: short stacking energy: -64.126 Base-Backbone interact. energy: -0.538 local terms energy: -75.164073 where: bonds (distance) C4'-P energy: -12.676 bonds (distance) P-C4' energy: -15.395 flat angles C4'-P-C4' energy: -15.701 flat angles P-C4'-P energy: -12.647 tors. eta vs tors. theta energy: -18.746 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: 2 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -201.695411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.695411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.695411 (E_RNA) where: Base-Base interactions energy: -130.490 where: short stacking energy: -61.280 Base-Backbone interact. energy: -0.137 local terms energy: -71.068955 where: bonds (distance) C4'-P energy: -12.572 bonds (distance) P-C4' energy: -15.206 flat angles C4'-P-C4' energy: -15.373 flat angles P-C4'-P energy: -11.282 tors. eta vs tors. theta energy: -16.636 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: 3 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -194.399538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.399538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.399538 (E_RNA) where: Base-Base interactions energy: -124.653 where: short stacking energy: -53.340 Base-Backbone interact. energy: -0.077 local terms energy: -69.670031 where: bonds (distance) C4'-P energy: -13.938 bonds (distance) P-C4' energy: -16.100 flat angles C4'-P-C4' energy: -15.327 flat angles P-C4'-P energy: -10.074 tors. eta vs tors. theta energy: -14.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -194.284397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.284397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.284397 (E_RNA) where: Base-Base interactions energy: -128.497 where: short stacking energy: -53.341 Base-Backbone interact. energy: -0.130 local terms energy: -65.657183 where: bonds (distance) C4'-P energy: -14.295 bonds (distance) P-C4' energy: -14.247 flat angles C4'-P-C4' energy: -14.962 flat angles P-C4'-P energy: -9.388 tors. eta vs tors. theta energy: -12.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -133.275403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.275403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.275403 (E_RNA) where: Base-Base interactions energy: -73.362 where: short stacking energy: -34.442 Base-Backbone interact. energy: -0.528 local terms energy: -59.385950 where: bonds (distance) C4'-P energy: -17.139 bonds (distance) P-C4' energy: -12.979 flat angles C4'-P-C4' energy: -15.145 flat angles P-C4'-P energy: -8.901 tors. eta vs tors. theta energy: -5.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -135.923796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.923796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.923796 (E_RNA) where: Base-Base interactions energy: -87.247 where: short stacking energy: -29.643 Base-Backbone interact. energy: -0.184 local terms energy: -48.492318 where: bonds (distance) C4'-P energy: -14.688 bonds (distance) P-C4' energy: -15.070 flat angles C4'-P-C4' energy: -6.291 flat angles P-C4'-P energy: -7.682 tors. eta vs tors. theta energy: -4.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -161.590692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.590692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.590692 (E_RNA) where: Base-Base interactions energy: -111.309 where: short stacking energy: -51.831 Base-Backbone interact. energy: 0.797 local terms energy: -51.079172 where: bonds (distance) C4'-P energy: -9.601 bonds (distance) P-C4' energy: -14.519 flat angles C4'-P-C4' energy: -9.085 flat angles P-C4'-P energy: -7.340 tors. eta vs tors. theta energy: -10.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -135.580139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.580139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.580139 (E_RNA) where: Base-Base interactions energy: -84.443 where: short stacking energy: -25.808 Base-Backbone interact. energy: -0.330 local terms energy: -50.807405 where: bonds (distance) C4'-P energy: -13.645 bonds (distance) P-C4' energy: -15.889 flat angles C4'-P-C4' energy: -15.319 flat angles P-C4'-P energy: -4.702 tors. eta vs tors. theta energy: -1.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -77.021731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.021731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.021731 (E_RNA) where: Base-Base interactions energy: -31.091 where: short stacking energy: -30.787 Base-Backbone interact. energy: -0.076 local terms energy: -45.855689 where: bonds (distance) C4'-P energy: -8.642 bonds (distance) P-C4' energy: -14.029 flat angles C4'-P-C4' energy: -14.791 flat angles P-C4'-P energy: -6.878 tors. eta vs tors. theta energy: -1.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -225.065619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.065619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.065619 (E_RNA) where: Base-Base interactions energy: -152.643 where: short stacking energy: -59.165 Base-Backbone interact. energy: -0.635 local terms energy: -71.787530 where: bonds (distance) C4'-P energy: -16.109 bonds (distance) P-C4' energy: -16.573 flat angles C4'-P-C4' energy: -15.732 flat angles P-C4'-P energy: -8.521 tors. eta vs tors. theta energy: -14.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -206.160058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.160058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.160058 (E_RNA) where: Base-Base interactions energy: -137.025 where: short stacking energy: -65.793 Base-Backbone interact. energy: -0.071 local terms energy: -69.063666 where: bonds (distance) C4'-P energy: -15.716 bonds (distance) P-C4' energy: -15.490 flat angles C4'-P-C4' energy: -13.207 flat angles P-C4'-P energy: -8.374 tors. eta vs tors. theta energy: -16.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -201.835577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.835577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.835577 (E_RNA) where: Base-Base interactions energy: -130.667 where: short stacking energy: -66.590 Base-Backbone interact. energy: -0.714 local terms energy: -70.454727 where: bonds (distance) C4'-P energy: -14.117 bonds (distance) P-C4' energy: -15.128 flat angles C4'-P-C4' energy: -11.579 flat angles P-C4'-P energy: -10.746 tors. eta vs tors. theta energy: -18.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -187.760232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.760232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.760232 (E_RNA) where: Base-Base interactions energy: -122.279 where: short stacking energy: -56.921 Base-Backbone interact. energy: -0.010 local terms energy: -65.471497 where: bonds (distance) C4'-P energy: -12.237 bonds (distance) P-C4' energy: -12.352 flat angles C4'-P-C4' energy: -15.284 flat angles P-C4'-P energy: -12.473 tors. eta vs tors. theta energy: -13.125 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: 3 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -177.469390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.469390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.469390 (E_RNA) where: Base-Base interactions energy: -105.810 where: short stacking energy: -49.744 Base-Backbone interact. energy: -0.078 local terms energy: -71.581505 where: bonds (distance) C4'-P energy: -16.613 bonds (distance) P-C4' energy: -14.627 flat angles C4'-P-C4' energy: -16.045 flat angles P-C4'-P energy: -9.731 tors. eta vs tors. theta energy: -14.565 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: 9 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -142.969624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.969624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.969624 (E_RNA) where: Base-Base interactions energy: -79.707 where: short stacking energy: -41.219 Base-Backbone interact. energy: -0.101 local terms energy: -63.161499 where: bonds (distance) C4'-P energy: -14.696 bonds (distance) P-C4' energy: -15.318 flat angles C4'-P-C4' energy: -13.489 flat angles P-C4'-P energy: -13.097 tors. eta vs tors. theta energy: -6.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -129.804444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.804444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.804444 (E_RNA) where: Base-Base interactions energy: -78.000 where: short stacking energy: -45.483 Base-Backbone interact. energy: -0.127 local terms energy: -51.677320 where: bonds (distance) C4'-P energy: -8.777 bonds (distance) P-C4' energy: -14.327 flat angles C4'-P-C4' energy: -8.372 flat angles P-C4'-P energy: -9.751 tors. eta vs tors. theta energy: -10.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -158.902884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.902884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.902884 (E_RNA) where: Base-Base interactions energy: -100.178 where: short stacking energy: -44.630 Base-Backbone interact. energy: -0.185 local terms energy: -58.539812 where: bonds (distance) C4'-P energy: -14.123 bonds (distance) P-C4' energy: -12.153 flat angles C4'-P-C4' energy: -13.886 flat angles P-C4'-P energy: -8.713 tors. eta vs tors. theta energy: -9.665 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: 8 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -127.572851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.572851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.572851 (E_RNA) where: Base-Base interactions energy: -76.840 where: short stacking energy: -35.065 Base-Backbone interact. energy: -0.411 local terms energy: -50.321859 where: bonds (distance) C4'-P energy: -12.695 bonds (distance) P-C4' energy: -15.643 flat angles C4'-P-C4' energy: -9.872 flat angles P-C4'-P energy: -9.284 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: 10, replica: 7 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -72.610145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.610145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.610145 (E_RNA) where: Base-Base interactions energy: -27.374 where: short stacking energy: -25.941 Base-Backbone interact. energy: -0.194 local terms energy: -45.041819 where: bonds (distance) C4'-P energy: -13.330 bonds (distance) P-C4' energy: -11.007 flat angles C4'-P-C4' energy: -14.522 flat angles P-C4'-P energy: -2.258 tors. eta vs tors. theta energy: -3.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -216.290516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.290516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.290516 (E_RNA) where: Base-Base interactions energy: -143.874 where: short stacking energy: -63.883 Base-Backbone interact. energy: -0.549 local terms energy: -71.868139 where: bonds (distance) C4'-P energy: -11.048 bonds (distance) P-C4' energy: -16.476 flat angles C4'-P-C4' energy: -15.983 flat angles P-C4'-P energy: -10.506 tors. eta vs tors. theta energy: -17.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -214.416040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.416040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.416040 (E_RNA) where: Base-Base interactions energy: -146.516 where: short stacking energy: -63.396 Base-Backbone interact. energy: -0.022 local terms energy: -67.877952 where: bonds (distance) C4'-P energy: -15.549 bonds (distance) P-C4' energy: -15.216 flat angles C4'-P-C4' energy: -14.327 flat angles P-C4'-P energy: -10.600 tors. eta vs tors. theta energy: -12.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -203.524456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.524456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.524456 (E_RNA) where: Base-Base interactions energy: -131.808 where: short stacking energy: -63.471 Base-Backbone interact. energy: -0.006 local terms energy: -71.710738 where: bonds (distance) C4'-P energy: -13.006 bonds (distance) P-C4' energy: -12.797 flat angles C4'-P-C4' energy: -14.564 flat angles P-C4'-P energy: -13.370 tors. eta vs tors. theta energy: -17.973 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: 5 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -211.658437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.658437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.658437 (E_RNA) where: Base-Base interactions energy: -143.733 where: short stacking energy: -60.994 Base-Backbone interact. energy: -0.010 local terms energy: -67.915525 where: bonds (distance) C4'-P energy: -14.361 bonds (distance) P-C4' energy: -13.693 flat angles C4'-P-C4' energy: -13.646 flat angles P-C4'-P energy: -9.478 tors. eta vs tors. theta energy: -16.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -195.721776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.721776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.721776 (E_RNA) where: Base-Base interactions energy: -131.642 where: short stacking energy: -64.188 Base-Backbone interact. energy: 0.343 local terms energy: -64.422402 where: bonds (distance) C4'-P energy: -9.211 bonds (distance) P-C4' energy: -12.614 flat angles C4'-P-C4' energy: -15.813 flat angles P-C4'-P energy: -9.700 tors. eta vs tors. theta energy: -17.085 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: 9 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -155.085651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.085651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.085651 (E_RNA) where: Base-Base interactions energy: -93.604 where: short stacking energy: -52.885 Base-Backbone interact. energy: -0.527 local terms energy: -60.954479 where: bonds (distance) C4'-P energy: -11.326 bonds (distance) P-C4' energy: -13.043 flat angles C4'-P-C4' energy: -14.885 flat angles P-C4'-P energy: -10.470 tors. eta vs tors. theta energy: -11.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -167.134161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.134161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.134161 (E_RNA) where: Base-Base interactions energy: -114.403 where: short stacking energy: -50.138 Base-Backbone interact. energy: -0.118 local terms energy: -52.612813 where: bonds (distance) C4'-P energy: -11.227 bonds (distance) P-C4' energy: -11.994 flat angles C4'-P-C4' energy: -10.899 flat angles P-C4'-P energy: -7.357 tors. eta vs tors. theta energy: -11.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -127.317848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.317848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.317848 (E_RNA) where: Base-Base interactions energy: -74.888 where: short stacking energy: -31.362 Base-Backbone interact. energy: -0.244 local terms energy: -52.185699 where: bonds (distance) C4'-P energy: -11.653 bonds (distance) P-C4' energy: -15.638 flat angles C4'-P-C4' energy: -9.344 flat angles P-C4'-P energy: -8.289 tors. eta vs tors. theta energy: -7.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -102.538124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.538124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.538124 (E_RNA) where: Base-Base interactions energy: -62.424 where: short stacking energy: -31.515 Base-Backbone interact. energy: -0.656 local terms energy: -39.458317 where: bonds (distance) C4'-P energy: -7.098 bonds (distance) P-C4' energy: -11.683 flat angles C4'-P-C4' energy: -7.143 flat angles P-C4'-P energy: -11.243 tors. eta vs tors. theta energy: -2.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -75.411631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.411631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.411631 (E_RNA) where: Base-Base interactions energy: -29.115 where: short stacking energy: -29.515 Base-Backbone interact. energy: -0.152 local terms energy: -46.144955 where: bonds (distance) C4'-P energy: -13.886 bonds (distance) P-C4' energy: -8.961 flat angles C4'-P-C4' energy: -12.791 flat angles P-C4'-P energy: -8.777 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: 1, replica: 2 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -215.896810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.896810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.896810 (E_RNA) where: Base-Base interactions energy: -135.017 where: short stacking energy: -70.129 Base-Backbone interact. energy: -0.003 local terms energy: -80.876450 where: bonds (distance) C4'-P energy: -16.820 bonds (distance) P-C4' energy: -16.622 flat angles C4'-P-C4' energy: -17.185 flat angles P-C4'-P energy: -12.168 tors. eta vs tors. theta energy: -18.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -216.055017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.055017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.055017 (E_RNA) where: Base-Base interactions energy: -146.895 where: short stacking energy: -62.882 Base-Backbone interact. energy: -0.003 local terms energy: -69.157364 where: bonds (distance) C4'-P energy: -13.587 bonds (distance) P-C4' energy: -15.371 flat angles C4'-P-C4' energy: -15.203 flat angles P-C4'-P energy: -9.996 tors. eta vs tors. theta energy: -15.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -207.428786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.428786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.428786 (E_RNA) where: Base-Base interactions energy: -134.648 where: short stacking energy: -66.557 Base-Backbone interact. energy: -0.072 local terms energy: -72.708542 where: bonds (distance) C4'-P energy: -15.931 bonds (distance) P-C4' energy: -10.984 flat angles C4'-P-C4' energy: -15.782 flat angles P-C4'-P energy: -12.268 tors. eta vs tors. theta energy: -17.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -195.490454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.490454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.490454 (E_RNA) where: Base-Base interactions energy: -135.426 where: short stacking energy: -63.397 Base-Backbone interact. energy: -0.198 local terms energy: -59.867174 where: bonds (distance) C4'-P energy: -12.679 bonds (distance) P-C4' energy: -12.794 flat angles C4'-P-C4' energy: -11.156 flat angles P-C4'-P energy: -6.184 tors. eta vs tors. theta energy: -17.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -190.591269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.591269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.591269 (E_RNA) where: Base-Base interactions energy: -123.500 where: short stacking energy: -56.248 Base-Backbone interact. energy: -0.002 local terms energy: -67.089217 where: bonds (distance) C4'-P energy: -12.641 bonds (distance) P-C4' energy: -13.165 flat angles C4'-P-C4' energy: -15.123 flat angles P-C4'-P energy: -9.598 tors. eta vs tors. theta energy: -16.563 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: 4 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -196.050534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.050534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.050534 (E_RNA) where: Base-Base interactions energy: -132.440 where: short stacking energy: -55.572 Base-Backbone interact. energy: -0.396 local terms energy: -63.214388 where: bonds (distance) C4'-P energy: -15.262 bonds (distance) P-C4' energy: -14.634 flat angles C4'-P-C4' energy: -12.684 flat angles P-C4'-P energy: -6.782 tors. eta vs tors. theta energy: -13.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -147.307249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.307249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.307249 (E_RNA) where: Base-Base interactions energy: -94.413 where: short stacking energy: -50.416 Base-Backbone interact. energy: -0.012 local terms energy: -52.882060 where: bonds (distance) C4'-P energy: -15.353 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -13.205 flat angles P-C4'-P energy: -5.692 tors. eta vs tors. theta energy: -10.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -88.475726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.475726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.475726 (E_RNA) where: Base-Base interactions energy: -49.809 where: short stacking energy: -28.291 Base-Backbone interact. energy: -0.131 local terms energy: -38.534994 where: bonds (distance) C4'-P energy: -12.307 bonds (distance) P-C4' energy: -17.084 flat angles C4'-P-C4' energy: -8.199 flat angles P-C4'-P energy: -6.584 tors. eta vs tors. theta energy: 5.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -86.612166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.612166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.612166 (E_RNA) where: Base-Base interactions energy: -39.939 where: short stacking energy: -26.363 Base-Backbone interact. energy: -0.201 local terms energy: -46.472914 where: bonds (distance) C4'-P energy: -11.215 bonds (distance) P-C4' energy: -14.141 flat angles C4'-P-C4' energy: -11.935 flat angles P-C4'-P energy: -4.926 tors. eta vs tors. theta energy: -4.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -89.107985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.107985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.107985 (E_RNA) where: Base-Base interactions energy: -41.806 where: short stacking energy: -24.374 Base-Backbone interact. energy: -0.172 local terms energy: -47.130312 where: bonds (distance) C4'-P energy: -9.329 bonds (distance) P-C4' energy: -10.572 flat angles C4'-P-C4' energy: -9.093 flat angles P-C4'-P energy: -8.373 tors. eta vs tors. theta energy: -9.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -217.484501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.484501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.484501 (E_RNA) where: Base-Base interactions energy: -151.673 where: short stacking energy: -70.948 Base-Backbone interact. energy: -0.025 local terms energy: -65.786110 where: bonds (distance) C4'-P energy: -13.819 bonds (distance) P-C4' energy: -14.354 flat angles C4'-P-C4' energy: -13.295 flat angles P-C4'-P energy: -7.717 tors. eta vs tors. theta energy: -16.602 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: 2, replica: 2 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -208.937472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.937472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.937472 (E_RNA) where: Base-Base interactions energy: -131.954 where: short stacking energy: -66.745 Base-Backbone interact. energy: -0.122 local terms energy: -76.861607 where: bonds (distance) C4'-P energy: -14.199 bonds (distance) P-C4' energy: -14.470 flat angles C4'-P-C4' energy: -15.593 flat angles P-C4'-P energy: -14.538 tors. eta vs tors. theta energy: -18.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -206.765966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.765966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.765966 (E_RNA) where: Base-Base interactions energy: -133.306 where: short stacking energy: -68.245 Base-Backbone interact. energy: -0.030 local terms energy: -73.429228 where: bonds (distance) C4'-P energy: -16.496 bonds (distance) P-C4' energy: -15.671 flat angles C4'-P-C4' energy: -13.058 flat angles P-C4'-P energy: -9.615 tors. eta vs tors. theta energy: -18.589 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: 44 Temperature: 1.050000 Total energy: -197.834708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.834708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.834708 (E_RNA) where: Base-Base interactions energy: -128.601 where: short stacking energy: -58.673 Base-Backbone interact. energy: -0.065 local terms energy: -69.168164 where: bonds (distance) C4'-P energy: -16.465 bonds (distance) P-C4' energy: -13.301 flat angles C4'-P-C4' energy: -15.425 flat angles P-C4'-P energy: -8.167 tors. eta vs tors. theta energy: -15.811 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: 5 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -188.687091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.687091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.687091 (E_RNA) where: Base-Base interactions energy: -128.283 where: short stacking energy: -55.107 Base-Backbone interact. energy: -0.430 local terms energy: -59.974134 where: bonds (distance) C4'-P energy: -9.132 bonds (distance) P-C4' energy: -15.305 flat angles C4'-P-C4' energy: -13.559 flat angles P-C4'-P energy: -9.752 tors. eta vs tors. theta energy: -12.227 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: 44 Temperature: 1.150000 Total energy: -149.804019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.804019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.804019 (E_RNA) where: Base-Base interactions energy: -95.897 where: short stacking energy: -45.315 Base-Backbone interact. energy: -0.054 local terms energy: -53.853144 where: bonds (distance) C4'-P energy: -14.631 bonds (distance) P-C4' energy: -12.275 flat angles C4'-P-C4' energy: -14.085 flat angles P-C4'-P energy: -6.795 tors. eta vs tors. theta energy: -6.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -99.486396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.486396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.486396 (E_RNA) where: Base-Base interactions energy: -46.057 where: short stacking energy: -33.678 Base-Backbone interact. energy: -0.178 local terms energy: -53.251860 where: bonds (distance) C4'-P energy: -15.271 bonds (distance) P-C4' energy: -12.754 flat angles C4'-P-C4' energy: -15.604 flat angles P-C4'-P energy: -7.201 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: 8, replica: 9 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -124.298427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.298427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.298427 (E_RNA) where: Base-Base interactions energy: -75.301 where: short stacking energy: -35.503 Base-Backbone interact. energy: -0.220 local terms energy: -48.777780 where: bonds (distance) C4'-P energy: -12.043 bonds (distance) P-C4' energy: -11.164 flat angles C4'-P-C4' energy: -10.085 flat angles P-C4'-P energy: -6.268 tors. eta vs tors. theta energy: -9.218 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: 44 Temperature: 1.300000 Total energy: -89.645350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.645350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.645350 (E_RNA) where: Base-Base interactions energy: -39.979 where: short stacking energy: -30.919 Base-Backbone interact. energy: -0.292 local terms energy: -49.374724 where: bonds (distance) C4'-P energy: -14.245 bonds (distance) P-C4' energy: -13.878 flat angles C4'-P-C4' energy: -7.919 flat angles P-C4'-P energy: -12.395 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: 7 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -76.981746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.981746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.981746 (E_RNA) where: Base-Base interactions energy: -25.409 where: short stacking energy: -25.409 Base-Backbone interact. energy: -0.167 local terms energy: -51.405330 where: bonds (distance) C4'-P energy: -13.198 bonds (distance) P-C4' energy: -15.910 flat angles C4'-P-C4' energy: -11.374 flat angles P-C4'-P energy: -9.514 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: 1, replica: 10 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -212.688806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.688806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.688806 (E_RNA) where: Base-Base interactions energy: -143.065 where: short stacking energy: -62.676 Base-Backbone interact. energy: -0.588 local terms energy: -69.036378 where: bonds (distance) C4'-P energy: -13.097 bonds (distance) P-C4' energy: -13.296 flat angles C4'-P-C4' energy: -16.207 flat angles P-C4'-P energy: -10.112 tors. eta vs tors. theta energy: -16.324 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: 2, replica: 1 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -209.516644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.516644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.516644 (E_RNA) where: Base-Base interactions energy: -136.404 where: short stacking energy: -66.231 Base-Backbone interact. energy: -0.626 local terms energy: -72.486640 where: bonds (distance) C4'-P energy: -14.249 bonds (distance) P-C4' energy: -15.766 flat angles C4'-P-C4' energy: -15.299 flat angles P-C4'-P energy: -8.150 tors. eta vs tors. theta energy: -19.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -201.943024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.943024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.943024 (E_RNA) where: Base-Base interactions energy: -126.233 where: short stacking energy: -62.711 Base-Backbone interact. energy: -0.000 local terms energy: -75.709209 where: bonds (distance) C4'-P energy: -13.293 bonds (distance) P-C4' energy: -15.562 flat angles C4'-P-C4' energy: -16.277 flat angles P-C4'-P energy: -12.801 tors. eta vs tors. theta energy: -17.776 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: 5 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -184.003466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.003466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.003466 (E_RNA) where: Base-Base interactions energy: -124.016 where: short stacking energy: -51.634 Base-Backbone interact. energy: -0.000 local terms energy: -59.986844 where: bonds (distance) C4'-P energy: -12.895 bonds (distance) P-C4' energy: -13.579 flat angles C4'-P-C4' energy: -16.421 flat angles P-C4'-P energy: -2.213 tors. eta vs tors. theta energy: -14.879 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: 5, replica: 3 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -197.942569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.942569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.942569 (E_RNA) where: Base-Base interactions energy: -127.584 where: short stacking energy: -63.935 Base-Backbone interact. energy: -0.187 local terms energy: -70.172205 where: bonds (distance) C4'-P energy: -14.095 bonds (distance) P-C4' energy: -12.653 flat angles C4'-P-C4' energy: -14.752 flat angles P-C4'-P energy: -8.878 tors. eta vs tors. theta energy: -19.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -126.822879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.822879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.822879 (E_RNA) where: Base-Base interactions energy: -69.745 where: short stacking energy: -43.163 Base-Backbone interact. energy: -0.419 local terms energy: -56.658960 where: bonds (distance) C4'-P energy: -11.698 bonds (distance) P-C4' energy: -10.706 flat angles C4'-P-C4' energy: -13.392 flat angles P-C4'-P energy: -10.408 tors. eta vs tors. theta energy: -10.456 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: 4 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -161.766756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.766756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.766756 (E_RNA) where: Base-Base interactions energy: -102.705 where: short stacking energy: -44.575 Base-Backbone interact. energy: -0.333 local terms energy: -58.728937 where: bonds (distance) C4'-P energy: -16.269 bonds (distance) P-C4' energy: -14.048 flat angles C4'-P-C4' energy: -12.811 flat angles P-C4'-P energy: -3.303 tors. eta vs tors. theta energy: -12.298 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: 9 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -127.692271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.692271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.692271 (E_RNA) where: Base-Base interactions energy: -78.791 where: short stacking energy: -40.669 Base-Backbone interact. energy: -0.131 local terms energy: -48.769514 where: bonds (distance) C4'-P energy: -10.255 bonds (distance) P-C4' energy: -16.054 flat angles C4'-P-C4' energy: -5.653 flat angles P-C4'-P energy: -7.146 tors. eta vs tors. theta energy: -9.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -81.684643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.684643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.684643 (E_RNA) where: Base-Base interactions energy: -33.006 where: short stacking energy: -22.552 Base-Backbone interact. energy: -0.042 local terms energy: -48.636450 where: bonds (distance) C4'-P energy: -13.399 bonds (distance) P-C4' energy: -16.594 flat angles C4'-P-C4' energy: -11.137 flat angles P-C4'-P energy: -6.765 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: 10, replica: 7 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -83.531459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.531459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.531459 (E_RNA) where: Base-Base interactions energy: -41.439 where: short stacking energy: -27.454 Base-Backbone interact. energy: -0.088 local terms energy: -42.004566 where: bonds (distance) C4'-P energy: -9.998 bonds (distance) P-C4' energy: -14.227 flat angles C4'-P-C4' energy: -8.798 flat angles P-C4'-P energy: -10.031 tors. eta vs tors. theta energy: 1.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -215.898673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.898673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.898673 (E_RNA) where: Base-Base interactions energy: -138.460 where: short stacking energy: -71.624 Base-Backbone interact. energy: -0.208 local terms energy: -77.230633 where: bonds (distance) C4'-P energy: -14.076 bonds (distance) P-C4' energy: -15.800 flat angles C4'-P-C4' energy: -16.572 flat angles P-C4'-P energy: -11.742 tors. eta vs tors. theta energy: -19.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -193.730966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.730966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.730966 (E_RNA) where: Base-Base interactions energy: -119.371 where: short stacking energy: -53.360 Base-Backbone interact. energy: -0.583 local terms energy: -73.777389 where: bonds (distance) C4'-P energy: -15.565 bonds (distance) P-C4' energy: -14.621 flat angles C4'-P-C4' energy: -14.714 flat angles P-C4'-P energy: -12.602 tors. eta vs tors. theta energy: -16.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -202.303005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.303005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.303005 (E_RNA) where: Base-Base interactions energy: -129.256 where: short stacking energy: -57.216 Base-Backbone interact. energy: -0.143 local terms energy: -72.904302 where: bonds (distance) C4'-P energy: -14.410 bonds (distance) P-C4' energy: -15.088 flat angles C4'-P-C4' energy: -15.916 flat angles P-C4'-P energy: -12.020 tors. eta vs tors. theta energy: -15.470 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: 5 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -194.744043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.744043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.744043 (E_RNA) where: Base-Base interactions energy: -133.072 where: short stacking energy: -55.613 Base-Backbone interact. energy: -0.173 local terms energy: -61.499110 where: bonds (distance) C4'-P energy: -11.789 bonds (distance) P-C4' energy: -14.399 flat angles C4'-P-C4' energy: -12.909 flat angles P-C4'-P energy: -6.573 tors. eta vs tors. theta energy: -15.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -207.267817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.267817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.267817 (E_RNA) where: Base-Base interactions energy: -138.378 where: short stacking energy: -73.780 Base-Backbone interact. energy: -0.006 local terms energy: -68.883148 where: bonds (distance) C4'-P energy: -9.119 bonds (distance) P-C4' energy: -12.346 flat angles C4'-P-C4' energy: -15.893 flat angles P-C4'-P energy: -10.726 tors. eta vs tors. theta energy: -20.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -115.488756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.488756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.488756 (E_RNA) where: Base-Base interactions energy: -67.493 where: short stacking energy: -34.342 Base-Backbone interact. energy: -0.092 local terms energy: -47.903352 where: bonds (distance) C4'-P energy: -12.114 bonds (distance) P-C4' energy: -10.034 flat angles C4'-P-C4' energy: -15.000 flat angles P-C4'-P energy: -3.692 tors. eta vs tors. theta energy: -7.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -164.368513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.368513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.368513 (E_RNA) where: Base-Base interactions energy: -98.132 where: short stacking energy: -48.432 Base-Backbone interact. energy: 0.562 local terms energy: -66.799027 where: bonds (distance) C4'-P energy: -16.625 bonds (distance) P-C4' energy: -13.483 flat angles C4'-P-C4' energy: -13.107 flat angles P-C4'-P energy: -10.517 tors. eta vs tors. theta energy: -13.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -98.067478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.067478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.067478 (E_RNA) where: Base-Base interactions energy: -45.215 where: short stacking energy: -25.624 Base-Backbone interact. energy: 0.419 local terms energy: -53.271621 where: bonds (distance) C4'-P energy: -8.785 bonds (distance) P-C4' energy: -11.937 flat angles C4'-P-C4' energy: -15.041 flat angles P-C4'-P energy: -8.899 tors. eta vs tors. theta energy: -8.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -98.476436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.476436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.476436 (E_RNA) where: Base-Base interactions energy: -48.091 where: short stacking energy: -40.715 Base-Backbone interact. energy: 0.045 local terms energy: -50.430218 where: bonds (distance) C4'-P energy: -14.072 bonds (distance) P-C4' energy: -12.232 flat angles C4'-P-C4' energy: -11.139 flat angles P-C4'-P energy: -9.580 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: 10, replica: 8 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -103.379290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.379290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.379290 (E_RNA) where: Base-Base interactions energy: -48.046 where: short stacking energy: -28.152 Base-Backbone interact. energy: -0.029 local terms energy: -55.303951 where: bonds (distance) C4'-P energy: -15.520 bonds (distance) P-C4' energy: -14.653 flat angles C4'-P-C4' energy: -14.315 flat angles P-C4'-P energy: -6.581 tors. eta vs tors. theta energy: -4.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -215.669178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.669178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.669178 (E_RNA) where: Base-Base interactions energy: -142.804 where: short stacking energy: -73.948 Base-Backbone interact. energy: -0.026 local terms energy: -72.839156 where: bonds (distance) C4'-P energy: -13.223 bonds (distance) P-C4' energy: -14.390 flat angles C4'-P-C4' energy: -14.344 flat angles P-C4'-P energy: -10.324 tors. eta vs tors. theta energy: -20.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -209.898014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.898014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.898014 (E_RNA) where: Base-Base interactions energy: -131.676 where: short stacking energy: -65.686 Base-Backbone interact. energy: -0.029 local terms energy: -78.192559 where: bonds (distance) C4'-P energy: -13.694 bonds (distance) P-C4' energy: -15.903 flat angles C4'-P-C4' energy: -17.157 flat angles P-C4'-P energy: -10.832 tors. eta vs tors. theta energy: -20.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -187.106064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.106064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.106064 (E_RNA) where: Base-Base interactions energy: -119.269 where: short stacking energy: -62.696 Base-Backbone interact. energy: -0.798 local terms energy: -67.038961 where: bonds (distance) C4'-P energy: -14.493 bonds (distance) P-C4' energy: -15.498 flat angles C4'-P-C4' energy: -11.933 flat angles P-C4'-P energy: -9.113 tors. eta vs tors. theta energy: -16.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -204.772362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.772362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.772362 (E_RNA) where: Base-Base interactions energy: -131.744 where: short stacking energy: -65.352 Base-Backbone interact. energy: 0.069 local terms energy: -73.098021 where: bonds (distance) C4'-P energy: -14.555 bonds (distance) P-C4' energy: -13.328 flat angles C4'-P-C4' energy: -14.560 flat angles P-C4'-P energy: -11.340 tors. eta vs tors. theta energy: -19.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -186.132958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.132958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.132958 (E_RNA) where: Base-Base interactions energy: -119.878 where: short stacking energy: -59.791 Base-Backbone interact. energy: -0.329 local terms energy: -65.926262 where: bonds (distance) C4'-P energy: -12.224 bonds (distance) P-C4' energy: -12.031 flat angles C4'-P-C4' energy: -13.510 flat angles P-C4'-P energy: -11.455 tors. eta vs tors. theta energy: -16.706 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: 4 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -161.858414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.858414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.858414 (E_RNA) where: Base-Base interactions energy: -105.033 where: short stacking energy: -52.003 Base-Backbone interact. energy: -0.107 local terms energy: -56.718649 where: bonds (distance) C4'-P energy: -12.382 bonds (distance) P-C4' energy: -14.511 flat angles C4'-P-C4' energy: -13.970 flat angles P-C4'-P energy: -9.098 tors. eta vs tors. theta energy: -6.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -102.102639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.102639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.102639 (E_RNA) where: Base-Base interactions energy: -50.857 where: short stacking energy: -30.060 Base-Backbone interact. energy: -0.461 local terms energy: -50.784836 where: bonds (distance) C4'-P energy: -11.396 bonds (distance) P-C4' energy: -14.347 flat angles C4'-P-C4' energy: -10.577 flat angles P-C4'-P energy: -9.094 tors. eta vs tors. theta energy: -5.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -87.687395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.687395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.687395 (E_RNA) where: Base-Base interactions energy: -37.068 where: short stacking energy: -21.099 Base-Backbone interact. energy: -0.139 local terms energy: -50.480890 where: bonds (distance) C4'-P energy: -12.449 bonds (distance) P-C4' energy: -12.257 flat angles C4'-P-C4' energy: -11.346 flat angles P-C4'-P energy: -10.725 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: 9, replica: 9 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -76.287686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.287686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.287686 (E_RNA) where: Base-Base interactions energy: -24.942 where: short stacking energy: -20.936 Base-Backbone interact. energy: 1.612 local terms energy: -52.957971 where: bonds (distance) C4'-P energy: -13.566 bonds (distance) P-C4' energy: -14.649 flat angles C4'-P-C4' energy: -13.105 flat angles P-C4'-P energy: -6.338 tors. eta vs tors. theta energy: -5.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -79.076464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.076464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.076464 (E_RNA) where: Base-Base interactions energy: -31.292 where: short stacking energy: -27.621 Base-Backbone interact. energy: -0.152 local terms energy: -47.632615 where: bonds (distance) C4'-P energy: -13.015 bonds (distance) P-C4' energy: -15.566 flat angles C4'-P-C4' energy: -8.170 flat angles P-C4'-P energy: -7.806 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: 1, replica: 1 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -211.590996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.590996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.590996 (E_RNA) where: Base-Base interactions energy: -138.343 where: short stacking energy: -67.617 Base-Backbone interact. energy: -0.002 local terms energy: -73.246028 where: bonds (distance) C4'-P energy: -15.106 bonds (distance) P-C4' energy: -15.063 flat angles C4'-P-C4' energy: -13.101 flat angles P-C4'-P energy: -10.380 tors. eta vs tors. theta energy: -19.597 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: 2 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -213.466161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.466161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.466161 (E_RNA) where: Base-Base interactions energy: -143.424 where: short stacking energy: -70.488 Base-Backbone interact. energy: -0.085 local terms energy: -69.957352 where: bonds (distance) C4'-P energy: -14.274 bonds (distance) P-C4' energy: -11.455 flat angles C4'-P-C4' energy: -14.881 flat angles P-C4'-P energy: -9.854 tors. eta vs tors. theta energy: -19.493 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: 48 Temperature: 1.000000 Total energy: -212.502945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.502945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.502945 (E_RNA) where: Base-Base interactions energy: -138.448 where: short stacking energy: -70.210 Base-Backbone interact. energy: -0.991 local terms energy: -73.064080 where: bonds (distance) C4'-P energy: -15.122 bonds (distance) P-C4' energy: -13.559 flat angles C4'-P-C4' energy: -15.731 flat angles P-C4'-P energy: -10.352 tors. eta vs tors. theta energy: -18.300 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: 10 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -185.641454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.641454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.641454 (E_RNA) where: Base-Base interactions energy: -120.826 where: short stacking energy: -54.948 Base-Backbone interact. energy: -0.153 local terms energy: -64.662505 where: bonds (distance) C4'-P energy: -12.130 bonds (distance) P-C4' energy: -12.476 flat angles C4'-P-C4' energy: -15.627 flat angles P-C4'-P energy: -7.561 tors. eta vs tors. theta energy: -16.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -182.415292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.415292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.415292 (E_RNA) where: Base-Base interactions energy: -125.456 where: short stacking energy: -63.195 Base-Backbone interact. energy: -0.158 local terms energy: -56.800871 where: bonds (distance) C4'-P energy: -11.434 bonds (distance) P-C4' energy: -10.606 flat angles C4'-P-C4' energy: -8.699 flat angles P-C4'-P energy: -9.415 tors. eta vs tors. theta energy: -16.647 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: 5 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -193.177689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.177689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.177689 (E_RNA) where: Base-Base interactions energy: -125.858 where: short stacking energy: -60.432 Base-Backbone interact. energy: -0.475 local terms energy: -66.845171 where: bonds (distance) C4'-P energy: -11.198 bonds (distance) P-C4' energy: -14.445 flat angles C4'-P-C4' energy: -14.844 flat angles P-C4'-P energy: -7.743 tors. eta vs tors. theta energy: -18.615 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: 7 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -113.820861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.820861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.820861 (E_RNA) where: Base-Base interactions energy: -64.818 where: short stacking energy: -34.374 Base-Backbone interact. energy: -0.127 local terms energy: -48.876165 where: bonds (distance) C4'-P energy: -16.605 bonds (distance) P-C4' energy: -11.158 flat angles C4'-P-C4' energy: -10.506 flat angles P-C4'-P energy: -5.468 tors. eta vs tors. theta energy: -5.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -94.274719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.274719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.274719 (E_RNA) where: Base-Base interactions energy: -50.960 where: short stacking energy: -40.151 Base-Backbone interact. energy: -1.309 local terms energy: -42.005898 where: bonds (distance) C4'-P energy: -10.104 bonds (distance) P-C4' energy: -10.034 flat angles C4'-P-C4' energy: -12.057 flat angles P-C4'-P energy: -1.573 tors. eta vs tors. theta energy: -8.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -91.615930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.615930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.615930 (E_RNA) where: Base-Base interactions energy: -39.950 where: short stacking energy: -39.950 Base-Backbone interact. energy: -0.017 local terms energy: -51.649580 where: bonds (distance) C4'-P energy: -10.200 bonds (distance) P-C4' energy: -16.703 flat angles C4'-P-C4' energy: -12.879 flat angles P-C4'-P energy: -2.594 tors. eta vs tors. theta energy: -9.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -79.146558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.146558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.146558 (E_RNA) where: Base-Base interactions energy: -33.770 where: short stacking energy: -19.960 Base-Backbone interact. energy: -0.379 local terms energy: -44.998198 where: bonds (distance) C4'-P energy: -11.235 bonds (distance) P-C4' energy: -15.301 flat angles C4'-P-C4' energy: -15.384 flat angles P-C4'-P energy: -3.526 tors. eta vs tors. theta energy: 0.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -219.826225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.826225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.826225 (E_RNA) where: Base-Base interactions energy: -144.330 where: short stacking energy: -74.007 Base-Backbone interact. energy: -0.245 local terms energy: -75.250577 where: bonds (distance) C4'-P energy: -16.103 bonds (distance) P-C4' energy: -12.651 flat angles C4'-P-C4' energy: -15.398 flat angles P-C4'-P energy: -12.733 tors. eta vs tors. theta energy: -18.366 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: 3 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -204.562079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.562079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.562079 (E_RNA) where: Base-Base interactions energy: -134.190 where: short stacking energy: -66.662 Base-Backbone interact. energy: -0.000 local terms energy: -70.371968 where: bonds (distance) C4'-P energy: -11.759 bonds (distance) P-C4' energy: -14.020 flat angles C4'-P-C4' energy: -14.845 flat angles P-C4'-P energy: -9.289 tors. eta vs tors. theta energy: -20.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -215.054712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.054712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.054712 (E_RNA) where: Base-Base interactions energy: -139.402 where: short stacking energy: -64.910 Base-Backbone interact. energy: -0.004 local terms energy: -75.648725 where: bonds (distance) C4'-P energy: -12.399 bonds (distance) P-C4' energy: -16.689 flat angles C4'-P-C4' energy: -15.892 flat angles P-C4'-P energy: -12.058 tors. eta vs tors. theta energy: -18.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -183.300384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.300384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.300384 (E_RNA) where: Base-Base interactions energy: -117.573 where: short stacking energy: -55.828 Base-Backbone interact. energy: -0.132 local terms energy: -65.595734 where: bonds (distance) C4'-P energy: -15.301 bonds (distance) P-C4' energy: -14.723 flat angles C4'-P-C4' energy: -13.952 flat angles P-C4'-P energy: -9.471 tors. eta vs tors. theta energy: -12.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -191.232848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.232848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.232848 (E_RNA) where: Base-Base interactions energy: -127.632 where: short stacking energy: -56.005 Base-Backbone interact. energy: -0.638 local terms energy: -62.963174 where: bonds (distance) C4'-P energy: -14.543 bonds (distance) P-C4' energy: -13.232 flat angles C4'-P-C4' energy: -13.711 flat angles P-C4'-P energy: -5.984 tors. eta vs tors. theta energy: -15.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -192.984304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.984304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.984304 (E_RNA) where: Base-Base interactions energy: -129.617 where: short stacking energy: -56.220 Base-Backbone interact. energy: -0.064 local terms energy: -63.303605 where: bonds (distance) C4'-P energy: -9.802 bonds (distance) P-C4' energy: -15.544 flat angles C4'-P-C4' energy: -13.512 flat angles P-C4'-P energy: -9.328 tors. eta vs tors. theta energy: -15.117 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: 7 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -118.036118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.036118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.036118 (E_RNA) where: Base-Base interactions energy: -66.926 where: short stacking energy: -32.788 Base-Backbone interact. energy: 0.293 local terms energy: -51.402908 where: bonds (distance) C4'-P energy: -13.280 bonds (distance) P-C4' energy: -14.169 flat angles C4'-P-C4' energy: -9.821 flat angles P-C4'-P energy: -13.435 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: 6 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -84.796894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.796894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.796894 (E_RNA) where: Base-Base interactions energy: -34.613 where: short stacking energy: -36.031 Base-Backbone interact. energy: -0.132 local terms energy: -50.051543 where: bonds (distance) C4'-P energy: -12.011 bonds (distance) P-C4' energy: -14.483 flat angles C4'-P-C4' energy: -14.456 flat angles P-C4'-P energy: -8.116 tors. eta vs tors. theta energy: -0.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -84.466565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.466565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.466565 (E_RNA) where: Base-Base interactions energy: -40.144 where: short stacking energy: -36.166 Base-Backbone interact. energy: -0.242 local terms energy: -44.080748 where: bonds (distance) C4'-P energy: -16.054 bonds (distance) P-C4' energy: -8.920 flat angles C4'-P-C4' energy: -10.293 flat angles P-C4'-P energy: -6.973 tors. eta vs tors. theta energy: -1.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -86.341224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.341224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.341224 (E_RNA) where: Base-Base interactions energy: -37.364 where: short stacking energy: -34.648 Base-Backbone interact. energy: -0.047 local terms energy: -48.929746 where: bonds (distance) C4'-P energy: -11.243 bonds (distance) P-C4' energy: -10.715 flat angles C4'-P-C4' energy: -12.892 flat angles P-C4'-P energy: -10.049 tors. eta vs tors. theta energy: -4.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -213.896846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.896846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.896846 (E_RNA) where: Base-Base interactions energy: -140.767 where: short stacking energy: -67.415 Base-Backbone interact. energy: -0.096 local terms energy: -73.033741 where: bonds (distance) C4'-P energy: -11.686 bonds (distance) P-C4' energy: -17.468 flat angles C4'-P-C4' energy: -13.311 flat angles P-C4'-P energy: -11.653 tors. eta vs tors. theta energy: -18.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -212.289426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.289426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.289426 (E_RNA) where: Base-Base interactions energy: -137.483 where: short stacking energy: -67.784 Base-Backbone interact. energy: -0.575 local terms energy: -74.232022 where: bonds (distance) C4'-P energy: -13.869 bonds (distance) P-C4' energy: -16.386 flat angles C4'-P-C4' energy: -15.315 flat angles P-C4'-P energy: -9.184 tors. eta vs tors. theta energy: -19.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -211.087819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.087819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.087819 (E_RNA) where: Base-Base interactions energy: -142.165 where: short stacking energy: -72.586 Base-Backbone interact. energy: -0.002 local terms energy: -68.921496 where: bonds (distance) C4'-P energy: -12.705 bonds (distance) P-C4' energy: -11.790 flat angles C4'-P-C4' energy: -14.138 flat angles P-C4'-P energy: -9.060 tors. eta vs tors. theta energy: -21.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -203.117458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.117458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.117458 (E_RNA) where: Base-Base interactions energy: -137.744 where: short stacking energy: -68.529 Base-Backbone interact. energy: -0.060 local terms energy: -65.313810 where: bonds (distance) C4'-P energy: -11.213 bonds (distance) P-C4' energy: -13.477 flat angles C4'-P-C4' energy: -14.960 flat angles P-C4'-P energy: -7.553 tors. eta vs tors. theta energy: -18.111 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: 50 Temperature: 1.100000 Total energy: -186.318361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.318361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.318361 (E_RNA) where: Base-Base interactions energy: -122.829 where: short stacking energy: -50.360 Base-Backbone interact. energy: -0.089 local terms energy: -63.400615 where: bonds (distance) C4'-P energy: -14.083 bonds (distance) P-C4' energy: -15.569 flat angles C4'-P-C4' energy: -11.307 flat angles P-C4'-P energy: -7.209 tors. eta vs tors. theta energy: -15.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -164.246423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.246423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.246423 (E_RNA) where: Base-Base interactions energy: -102.860 where: short stacking energy: -51.363 Base-Backbone interact. energy: -0.024 local terms energy: -61.362472 where: bonds (distance) C4'-P energy: -12.849 bonds (distance) P-C4' energy: -16.189 flat angles C4'-P-C4' energy: -12.891 flat angles P-C4'-P energy: -9.258 tors. eta vs tors. theta energy: -10.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -128.385954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.385954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.385954 (E_RNA) where: Base-Base interactions energy: -76.579 where: short stacking energy: -35.864 Base-Backbone interact. energy: 1.530 local terms energy: -53.337289 where: bonds (distance) C4'-P energy: -14.546 bonds (distance) P-C4' energy: -16.939 flat angles C4'-P-C4' energy: -12.727 flat angles P-C4'-P energy: -1.502 tors. eta vs tors. theta energy: -7.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -104.668266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.668266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.668266 (E_RNA) where: Base-Base interactions energy: -62.004 where: short stacking energy: -32.933 Base-Backbone interact. energy: -0.531 local terms energy: -42.133546 where: bonds (distance) C4'-P energy: -9.255 bonds (distance) P-C4' energy: -11.093 flat angles C4'-P-C4' energy: -8.928 flat angles P-C4'-P energy: -8.743 tors. eta vs tors. theta energy: -4.114 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: 9, replica: 9 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -85.153211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.153211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.153211 (E_RNA) where: Base-Base interactions energy: -40.930 where: short stacking energy: -15.058 Base-Backbone interact. energy: -0.624 local terms energy: -43.599174 where: bonds (distance) C4'-P energy: -12.097 bonds (distance) P-C4' energy: -14.814 flat angles C4'-P-C4' energy: -10.485 flat angles P-C4'-P energy: -3.597 tors. eta vs tors. theta energy: -2.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -83.782217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.782217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.782217 (E_RNA) where: Base-Base interactions energy: -41.605 where: short stacking energy: -30.496 Base-Backbone interact. energy: -1.161 local terms energy: -41.016830 where: bonds (distance) C4'-P energy: -8.267 bonds (distance) P-C4' energy: -14.014 flat angles C4'-P-C4' energy: -15.177 flat angles P-C4'-P energy: -5.056 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: 1, replica: 1 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -215.315202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.315202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.315202 (E_RNA) where: Base-Base interactions energy: -144.693 where: short stacking energy: -75.190 Base-Backbone interact. energy: -0.027 local terms energy: -70.594904 where: bonds (distance) C4'-P energy: -15.484 bonds (distance) P-C4' energy: -15.226 flat angles C4'-P-C4' energy: -13.923 flat angles P-C4'-P energy: -4.616 tors. eta vs tors. theta energy: -21.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -220.468038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.468038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.468038 (E_RNA) where: Base-Base interactions energy: -150.673 where: short stacking energy: -73.602 Base-Backbone interact. energy: -0.003 local terms energy: -69.792144 where: bonds (distance) C4'-P energy: -14.473 bonds (distance) P-C4' energy: -11.452 flat angles C4'-P-C4' energy: -15.218 flat angles P-C4'-P energy: -9.104 tors. eta vs tors. theta energy: -19.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -211.463242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.463242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.463242 (E_RNA) where: Base-Base interactions energy: -141.293 where: short stacking energy: -71.557 Base-Backbone interact. energy: -0.457 local terms energy: -69.712926 where: bonds (distance) C4'-P energy: -14.741 bonds (distance) P-C4' energy: -13.045 flat angles C4'-P-C4' energy: -15.784 flat angles P-C4'-P energy: -11.506 tors. eta vs tors. theta energy: -14.636 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: 51 Temperature: 1.050000 Total energy: -201.072199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.072199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.072199 (E_RNA) where: Base-Base interactions energy: -138.713 where: short stacking energy: -53.641 Base-Backbone interact. energy: -0.327 local terms energy: -62.032043 where: bonds (distance) C4'-P energy: -13.761 bonds (distance) P-C4' energy: -12.736 flat angles C4'-P-C4' energy: -13.757 flat angles P-C4'-P energy: -6.720 tors. eta vs tors. theta energy: -15.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -198.852767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.852767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.852767 (E_RNA) where: Base-Base interactions energy: -133.601 where: short stacking energy: -65.739 Base-Backbone interact. energy: -0.526 local terms energy: -64.726161 where: bonds (distance) C4'-P energy: -9.197 bonds (distance) P-C4' energy: -12.586 flat angles C4'-P-C4' energy: -12.810 flat angles P-C4'-P energy: -10.802 tors. eta vs tors. theta energy: -19.332 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: 5 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -187.259410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.259410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.259410 (E_RNA) where: Base-Base interactions energy: -126.471 where: short stacking energy: -50.979 Base-Backbone interact. energy: -0.032 local terms energy: -60.756576 where: bonds (distance) C4'-P energy: -12.410 bonds (distance) P-C4' energy: -12.574 flat angles C4'-P-C4' energy: -14.763 flat angles P-C4'-P energy: -9.128 tors. eta vs tors. theta energy: -11.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -131.921115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.921115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.921115 (E_RNA) where: Base-Base interactions energy: -84.950 where: short stacking energy: -35.645 Base-Backbone interact. energy: 0.130 local terms energy: -47.101411 where: bonds (distance) C4'-P energy: -11.340 bonds (distance) P-C4' energy: -11.293 flat angles C4'-P-C4' energy: -10.265 flat angles P-C4'-P energy: -3.794 tors. eta vs tors. theta energy: -10.409 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: 9 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -86.398877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.398877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.398877 (E_RNA) where: Base-Base interactions energy: -44.537 where: short stacking energy: -27.124 Base-Backbone interact. energy: 0.626 local terms energy: -42.488140 where: bonds (distance) C4'-P energy: -15.093 bonds (distance) P-C4' energy: -12.145 flat angles C4'-P-C4' energy: -9.202 flat angles P-C4'-P energy: -7.717 tors. eta vs tors. theta energy: 1.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -90.719832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.719832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.719832 (E_RNA) where: Base-Base interactions energy: -45.608 where: short stacking energy: -22.511 Base-Backbone interact. energy: -0.303 local terms energy: -44.809478 where: bonds (distance) C4'-P energy: -12.359 bonds (distance) P-C4' energy: -11.237 flat angles C4'-P-C4' energy: -10.734 flat angles P-C4'-P energy: -5.252 tors. eta vs tors. theta energy: -5.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -79.054255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.054255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.054255 (E_RNA) where: Base-Base interactions energy: -30.542 where: short stacking energy: -27.742 Base-Backbone interact. energy: -0.039 local terms energy: -48.473268 where: bonds (distance) C4'-P energy: -12.382 bonds (distance) P-C4' energy: -15.057 flat angles C4'-P-C4' energy: -15.677 flat angles P-C4'-P energy: -5.712 tors. eta vs tors. theta energy: 0.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -219.641520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.641520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.641520 (E_RNA) where: Base-Base interactions energy: -144.546 where: short stacking energy: -69.737 Base-Backbone interact. energy: -0.002 local terms energy: -75.093558 where: bonds (distance) C4'-P energy: -15.210 bonds (distance) P-C4' energy: -15.290 flat angles C4'-P-C4' energy: -14.191 flat angles P-C4'-P energy: -9.215 tors. eta vs tors. theta energy: -21.188 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: 52 Temperature: 0.950000 Total energy: -213.395413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.395413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.395413 (E_RNA) where: Base-Base interactions energy: -136.842 where: short stacking energy: -70.702 Base-Backbone interact. energy: 0.201 local terms energy: -76.754042 where: bonds (distance) C4'-P energy: -13.445 bonds (distance) P-C4' energy: -14.419 flat angles C4'-P-C4' energy: -16.100 flat angles P-C4'-P energy: -12.687 tors. eta vs tors. theta energy: -20.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -204.008761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.008761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.008761 (E_RNA) where: Base-Base interactions energy: -130.981 where: short stacking energy: -63.251 Base-Backbone interact. energy: -0.571 local terms energy: -72.457101 where: bonds (distance) C4'-P energy: -11.447 bonds (distance) P-C4' energy: -17.066 flat angles C4'-P-C4' energy: -15.972 flat angles P-C4'-P energy: -7.459 tors. eta vs tors. theta energy: -20.514 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: 4 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -205.170186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.170186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.170186 (E_RNA) where: Base-Base interactions energy: -139.890 where: short stacking energy: -64.741 Base-Backbone interact. energy: 1.025 local terms energy: -66.304379 where: bonds (distance) C4'-P energy: -11.397 bonds (distance) P-C4' energy: -14.006 flat angles C4'-P-C4' energy: -16.494 flat angles P-C4'-P energy: -9.138 tors. eta vs tors. theta energy: -15.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -190.852672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.852672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.852672 (E_RNA) where: Base-Base interactions energy: -127.351 where: short stacking energy: -58.574 Base-Backbone interact. energy: 1.285 local terms energy: -64.786392 where: bonds (distance) C4'-P energy: -13.380 bonds (distance) P-C4' energy: -13.532 flat angles C4'-P-C4' energy: -12.752 flat angles P-C4'-P energy: -8.586 tors. eta vs tors. theta energy: -16.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -194.197317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.197317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.197317 (E_RNA) where: Base-Base interactions energy: -124.341 where: short stacking energy: -65.781 Base-Backbone interact. energy: -0.251 local terms energy: -69.605145 where: bonds (distance) C4'-P energy: -14.900 bonds (distance) P-C4' energy: -13.320 flat angles C4'-P-C4' energy: -14.487 flat angles P-C4'-P energy: -6.761 tors. eta vs tors. theta energy: -20.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -151.852988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.852988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.852988 (E_RNA) where: Base-Base interactions energy: -86.664 where: short stacking energy: -44.343 Base-Backbone interact. energy: -0.700 local terms energy: -64.488936 where: bonds (distance) C4'-P energy: -14.651 bonds (distance) P-C4' energy: -13.842 flat angles C4'-P-C4' energy: -17.307 flat angles P-C4'-P energy: -9.414 tors. eta vs tors. theta energy: -9.274 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: 9 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -100.776399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.776399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.776399 (E_RNA) where: Base-Base interactions energy: -48.000 where: short stacking energy: -33.900 Base-Backbone interact. energy: -0.238 local terms energy: -52.537460 where: bonds (distance) C4'-P energy: -14.100 bonds (distance) P-C4' energy: -15.992 flat angles C4'-P-C4' energy: -11.922 flat angles P-C4'-P energy: -6.806 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: 9, replica: 8 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -77.467413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.467413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.467413 (E_RNA) where: Base-Base interactions energy: -29.424 where: short stacking energy: -28.951 Base-Backbone interact. energy: -0.072 local terms energy: -47.971830 where: bonds (distance) C4'-P energy: -12.345 bonds (distance) P-C4' energy: -14.250 flat angles C4'-P-C4' energy: -12.747 flat angles P-C4'-P energy: -5.051 tors. eta vs tors. theta energy: -3.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -87.596640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.596640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.596640 (E_RNA) where: Base-Base interactions energy: -38.183 where: short stacking energy: -38.183 Base-Backbone interact. energy: -0.125 local terms energy: -49.287996 where: bonds (distance) C4'-P energy: -12.009 bonds (distance) P-C4' energy: -13.101 flat angles C4'-P-C4' energy: -11.258 flat angles P-C4'-P energy: -8.172 tors. eta vs tors. theta energy: -4.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -218.244097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.244097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.244097 (E_RNA) where: Base-Base interactions energy: -145.252 where: short stacking energy: -65.011 Base-Backbone interact. energy: -0.251 local terms energy: -72.740958 where: bonds (distance) C4'-P energy: -12.699 bonds (distance) P-C4' energy: -17.048 flat angles C4'-P-C4' energy: -12.963 flat angles P-C4'-P energy: -12.264 tors. eta vs tors. theta energy: -17.768 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: 3 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -208.905689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.905689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.905689 (E_RNA) where: Base-Base interactions energy: -136.431 where: short stacking energy: -60.400 Base-Backbone interact. energy: -0.000 local terms energy: -72.474224 where: bonds (distance) C4'-P energy: -14.936 bonds (distance) P-C4' energy: -13.296 flat angles C4'-P-C4' energy: -15.542 flat angles P-C4'-P energy: -11.459 tors. eta vs tors. theta energy: -17.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -207.890468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.890468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.890468 (E_RNA) where: Base-Base interactions energy: -139.375 where: short stacking energy: -68.759 Base-Backbone interact. energy: -0.957 local terms energy: -67.558348 where: bonds (distance) C4'-P energy: -12.588 bonds (distance) P-C4' energy: -13.059 flat angles C4'-P-C4' energy: -15.019 flat angles P-C4'-P energy: -6.214 tors. eta vs tors. theta energy: -20.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -195.010699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.010699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.010699 (E_RNA) where: Base-Base interactions energy: -140.085 where: short stacking energy: -61.767 Base-Backbone interact. energy: -0.124 local terms energy: -54.801476 where: bonds (distance) C4'-P energy: -10.655 bonds (distance) P-C4' energy: -10.952 flat angles C4'-P-C4' energy: -9.011 flat angles P-C4'-P energy: -5.578 tors. eta vs tors. theta energy: -18.605 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: 4 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -203.624616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.624616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.624616 (E_RNA) where: Base-Base interactions energy: -136.828 where: short stacking energy: -58.543 Base-Backbone interact. energy: -0.473 local terms energy: -66.324081 where: bonds (distance) C4'-P energy: -11.480 bonds (distance) P-C4' energy: -16.454 flat angles C4'-P-C4' energy: -14.763 flat angles P-C4'-P energy: -10.142 tors. eta vs tors. theta energy: -13.485 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: 2 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -194.674531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.674531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.674531 (E_RNA) where: Base-Base interactions energy: -125.273 where: short stacking energy: -64.703 Base-Backbone interact. energy: -0.015 local terms energy: -69.386557 where: bonds (distance) C4'-P energy: -13.238 bonds (distance) P-C4' energy: -15.060 flat angles C4'-P-C4' energy: -13.362 flat angles P-C4'-P energy: -10.263 tors. eta vs tors. theta energy: -17.463 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: 7 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -118.334325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.334325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.334325 (E_RNA) where: Base-Base interactions energy: -75.003 where: short stacking energy: -43.253 Base-Backbone interact. energy: -0.197 local terms energy: -43.133783 where: bonds (distance) C4'-P energy: -9.635 bonds (distance) P-C4' energy: -12.573 flat angles C4'-P-C4' energy: -8.783 flat angles P-C4'-P energy: -4.121 tors. eta vs tors. theta energy: -8.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -88.335461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.335461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.335461 (E_RNA) where: Base-Base interactions energy: -40.450 where: short stacking energy: -34.925 Base-Backbone interact. energy: -0.024 local terms energy: -47.861355 where: bonds (distance) C4'-P energy: -13.471 bonds (distance) P-C4' energy: -12.436 flat angles C4'-P-C4' energy: -8.896 flat angles P-C4'-P energy: -9.462 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: 9, replica: 8 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -86.038496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.038496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.038496 (E_RNA) where: Base-Base interactions energy: -35.759 where: short stacking energy: -35.759 Base-Backbone interact. energy: -0.006 local terms energy: -50.273683 where: bonds (distance) C4'-P energy: -12.828 bonds (distance) P-C4' energy: -14.218 flat angles C4'-P-C4' energy: -10.329 flat angles P-C4'-P energy: -5.166 tors. eta vs tors. theta energy: -7.733 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: 6 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -81.375496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.375496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.375496 (E_RNA) where: Base-Base interactions energy: -24.221 where: short stacking energy: -24.221 Base-Backbone interact. energy: -0.050 local terms energy: -57.104823 where: bonds (distance) C4'-P energy: -12.754 bonds (distance) P-C4' energy: -14.789 flat angles C4'-P-C4' energy: -12.504 flat angles P-C4'-P energy: -11.281 tors. eta vs tors. theta energy: -5.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -211.943052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.943052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.943052 (E_RNA) where: Base-Base interactions energy: -135.245 where: short stacking energy: -65.500 Base-Backbone interact. energy: -0.637 local terms energy: -76.061053 where: bonds (distance) C4'-P energy: -16.595 bonds (distance) P-C4' energy: -14.751 flat angles C4'-P-C4' energy: -16.961 flat angles P-C4'-P energy: -11.987 tors. eta vs tors. theta energy: -15.767 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: 10 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -201.671230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.671230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.671230 (E_RNA) where: Base-Base interactions energy: -123.018 where: short stacking energy: -63.513 Base-Backbone interact. energy: -0.047 local terms energy: -78.606529 where: bonds (distance) C4'-P energy: -16.277 bonds (distance) P-C4' energy: -16.266 flat angles C4'-P-C4' energy: -15.557 flat angles P-C4'-P energy: -10.175 tors. eta vs tors. theta energy: -20.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -200.124651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.124651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.124651 (E_RNA) where: Base-Base interactions energy: -130.796 where: short stacking energy: -65.306 Base-Backbone interact. energy: -0.043 local terms energy: -69.285980 where: bonds (distance) C4'-P energy: -13.587 bonds (distance) P-C4' energy: -15.775 flat angles C4'-P-C4' energy: -12.731 flat angles P-C4'-P energy: -10.899 tors. eta vs tors. theta energy: -16.294 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: 4, replica: 1 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -197.509426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.509426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.509426 (E_RNA) where: Base-Base interactions energy: -135.310 where: short stacking energy: -68.077 Base-Backbone interact. energy: -0.112 local terms energy: -62.087691 where: bonds (distance) C4'-P energy: -11.020 bonds (distance) P-C4' energy: -16.202 flat angles C4'-P-C4' energy: -10.864 flat angles P-C4'-P energy: -5.951 tors. eta vs tors. theta energy: -18.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -200.271594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.271594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.271594 (E_RNA) where: Base-Base interactions energy: -143.785 where: short stacking energy: -59.786 Base-Backbone interact. energy: -0.082 local terms energy: -56.404636 where: bonds (distance) C4'-P energy: -8.966 bonds (distance) P-C4' energy: -14.649 flat angles C4'-P-C4' energy: -8.749 flat angles P-C4'-P energy: -8.665 tors. eta vs tors. theta energy: -15.375 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: 2 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -195.724031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.724031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.724031 (E_RNA) where: Base-Base interactions energy: -129.223 where: short stacking energy: -71.275 Base-Backbone interact. energy: -0.100 local terms energy: -66.400595 where: bonds (distance) C4'-P energy: -14.045 bonds (distance) P-C4' energy: -13.914 flat angles C4'-P-C4' energy: -13.979 flat angles P-C4'-P energy: -4.245 tors. eta vs tors. theta energy: -20.217 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: 54 Temperature: 1.200000 Total energy: -90.782495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.782495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.782495 (E_RNA) where: Base-Base interactions energy: -43.935 where: short stacking energy: -23.567 Base-Backbone interact. energy: -0.483 local terms energy: -46.364451 where: bonds (distance) C4'-P energy: -15.806 bonds (distance) P-C4' energy: -17.280 flat angles C4'-P-C4' energy: -5.009 flat angles P-C4'-P energy: -10.370 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: 8, replica: 7 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -87.922645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.922645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.922645 (E_RNA) where: Base-Base interactions energy: -33.828 where: short stacking energy: -33.828 Base-Backbone interact. energy: -0.034 local terms energy: -54.061243 where: bonds (distance) C4'-P energy: -11.563 bonds (distance) P-C4' energy: -13.923 flat angles C4'-P-C4' energy: -11.418 flat angles P-C4'-P energy: -5.223 tors. eta vs tors. theta energy: -11.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -80.871145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.871145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.871145 (E_RNA) where: Base-Base interactions energy: -29.249 where: short stacking energy: -29.249 Base-Backbone interact. energy: 0.508 local terms energy: -52.130286 where: bonds (distance) C4'-P energy: -13.314 bonds (distance) P-C4' energy: -12.150 flat angles C4'-P-C4' energy: -12.594 flat angles P-C4'-P energy: -6.506 tors. eta vs tors. theta energy: -7.566 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: 8 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -83.006376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.006376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.006376 (E_RNA) where: Base-Base interactions energy: -34.168 where: short stacking energy: -33.159 Base-Backbone interact. energy: 0.062 local terms energy: -48.900278 where: bonds (distance) C4'-P energy: -15.689 bonds (distance) P-C4' energy: -14.692 flat angles C4'-P-C4' energy: -8.955 flat angles P-C4'-P energy: -6.950 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: 1, replica: 3 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -210.566025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.566025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.566025 (E_RNA) where: Base-Base interactions energy: -133.936 where: short stacking energy: -68.947 Base-Backbone interact. energy: 0.053 local terms energy: -76.682583 where: bonds (distance) C4'-P energy: -16.845 bonds (distance) P-C4' energy: -12.682 flat angles C4'-P-C4' energy: -14.076 flat angles P-C4'-P energy: -12.668 tors. eta vs tors. theta energy: -20.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -200.671820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.671820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.671820 (E_RNA) where: Base-Base interactions energy: -124.019 where: short stacking energy: -65.970 Base-Backbone interact. energy: -0.079 local terms energy: -76.573883 where: bonds (distance) C4'-P energy: -14.741 bonds (distance) P-C4' energy: -14.563 flat angles C4'-P-C4' energy: -16.975 flat angles P-C4'-P energy: -7.860 tors. eta vs tors. theta energy: -22.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -189.043289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.043289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.043289 (E_RNA) where: Base-Base interactions energy: -130.298 where: short stacking energy: -58.087 Base-Backbone interact. energy: -0.129 local terms energy: -58.616015 where: bonds (distance) C4'-P energy: -15.652 bonds (distance) P-C4' energy: -12.752 flat angles C4'-P-C4' energy: -9.521 flat angles P-C4'-P energy: -5.518 tors. eta vs tors. theta energy: -15.173 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: 4 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -199.911221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.911221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.911221 (E_RNA) where: Base-Base interactions energy: -130.130 where: short stacking energy: -59.907 Base-Backbone interact. energy: -0.016 local terms energy: -69.764827 where: bonds (distance) C4'-P energy: -15.640 bonds (distance) P-C4' energy: -15.113 flat angles C4'-P-C4' energy: -11.897 flat angles P-C4'-P energy: -9.439 tors. eta vs tors. theta energy: -17.676 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: 1 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -190.981172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.981172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.981172 (E_RNA) where: Base-Base interactions energy: -120.890 where: short stacking energy: -58.131 Base-Backbone interact. energy: -0.008 local terms energy: -70.083191 where: bonds (distance) C4'-P energy: -14.740 bonds (distance) P-C4' energy: -12.436 flat angles C4'-P-C4' energy: -16.096 flat angles P-C4'-P energy: -8.226 tors. eta vs tors. theta energy: -18.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -197.762765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.762765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.762765 (E_RNA) where: Base-Base interactions energy: -130.644 where: short stacking energy: -59.595 Base-Backbone interact. energy: -0.316 local terms energy: -66.803200 where: bonds (distance) C4'-P energy: -11.293 bonds (distance) P-C4' energy: -13.650 flat angles C4'-P-C4' energy: -14.033 flat angles P-C4'-P energy: -10.814 tors. eta vs tors. theta energy: -17.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -112.524506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.524506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.524506 (E_RNA) where: Base-Base interactions energy: -60.319 where: short stacking energy: -42.974 Base-Backbone interact. energy: -0.025 local terms energy: -52.180347 where: bonds (distance) C4'-P energy: -10.818 bonds (distance) P-C4' energy: -11.859 flat angles C4'-P-C4' energy: -12.949 flat angles P-C4'-P energy: -8.397 tors. eta vs tors. theta energy: -8.157 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: 6 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -80.704810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.704810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.704810 (E_RNA) where: Base-Base interactions energy: -29.927 where: short stacking energy: -29.927 Base-Backbone interact. energy: 0.250 local terms energy: -51.027774 where: bonds (distance) C4'-P energy: -12.981 bonds (distance) P-C4' energy: -12.473 flat angles C4'-P-C4' energy: -15.653 flat angles P-C4'-P energy: -8.461 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: 7 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -90.289044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.289044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.289044 (E_RNA) where: Base-Base interactions energy: -33.982 where: short stacking energy: -33.902 Base-Backbone interact. energy: -0.210 local terms energy: -56.097056 where: bonds (distance) C4'-P energy: -15.963 bonds (distance) P-C4' energy: -15.619 flat angles C4'-P-C4' energy: -13.147 flat angles P-C4'-P energy: -3.398 tors. eta vs tors. theta energy: -7.970 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: 8 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -74.689219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.689219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.689219 (E_RNA) where: Base-Base interactions energy: -27.048 where: short stacking energy: -25.579 Base-Backbone interact. energy: -0.222 local terms energy: -47.418643 where: bonds (distance) C4'-P energy: -12.531 bonds (distance) P-C4' energy: -12.649 flat angles C4'-P-C4' energy: -13.175 flat angles P-C4'-P energy: -7.018 tors. eta vs tors. theta energy: -2.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -206.975523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.975523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.975523 (E_RNA) where: Base-Base interactions energy: -133.892 where: short stacking energy: -67.643 Base-Backbone interact. energy: -0.001 local terms energy: -73.082634 where: bonds (distance) C4'-P energy: -14.448 bonds (distance) P-C4' energy: -15.820 flat angles C4'-P-C4' energy: -14.865 flat angles P-C4'-P energy: -7.779 tors. eta vs tors. theta energy: -20.170 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: 3 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -211.094356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.094356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.094356 (E_RNA) where: Base-Base interactions energy: -132.510 where: short stacking energy: -67.693 Base-Backbone interact. energy: -0.314 local terms energy: -78.270266 where: bonds (distance) C4'-P energy: -11.359 bonds (distance) P-C4' energy: -16.410 flat angles C4'-P-C4' energy: -17.560 flat angles P-C4'-P energy: -11.464 tors. eta vs tors. theta energy: -21.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -192.082569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.082569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.082569 (E_RNA) where: Base-Base interactions energy: -120.762 where: short stacking energy: -53.692 Base-Backbone interact. energy: -0.005 local terms energy: -71.315182 where: bonds (distance) C4'-P energy: -15.554 bonds (distance) P-C4' energy: -15.514 flat angles C4'-P-C4' energy: -15.027 flat angles P-C4'-P energy: -9.757 tors. eta vs tors. theta energy: -15.463 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: 5 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -191.685047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.685047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.685047 (E_RNA) where: Base-Base interactions energy: -129.548 where: short stacking energy: -46.001 Base-Backbone interact. energy: -0.032 local terms energy: -62.104566 where: bonds (distance) C4'-P energy: -15.670 bonds (distance) P-C4' energy: -8.561 flat angles C4'-P-C4' energy: -16.277 flat angles P-C4'-P energy: -9.016 tors. eta vs tors. theta energy: -12.581 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: 2 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -205.366752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.366752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.366752 (E_RNA) where: Base-Base interactions energy: -133.976 where: short stacking energy: -63.272 Base-Backbone interact. energy: -0.547 local terms energy: -70.844247 where: bonds (distance) C4'-P energy: -13.532 bonds (distance) P-C4' energy: -16.274 flat angles C4'-P-C4' energy: -14.460 flat angles P-C4'-P energy: -8.817 tors. eta vs tors. theta energy: -17.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -197.475924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.475924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.475924 (E_RNA) where: Base-Base interactions energy: -124.878 where: short stacking energy: -55.429 Base-Backbone interact. energy: -0.101 local terms energy: -72.496384 where: bonds (distance) C4'-P energy: -11.053 bonds (distance) P-C4' energy: -14.502 flat angles C4'-P-C4' energy: -16.747 flat angles P-C4'-P energy: -11.198 tors. eta vs tors. theta energy: -18.995 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: 7, replica: 6 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -118.939668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.939668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.939668 (E_RNA) where: Base-Base interactions energy: -75.101 where: short stacking energy: -39.162 Base-Backbone interact. energy: -0.104 local terms energy: -43.735020 where: bonds (distance) C4'-P energy: -13.468 bonds (distance) P-C4' energy: -9.032 flat angles C4'-P-C4' energy: -13.928 flat angles P-C4'-P energy: -5.458 tors. eta vs tors. theta energy: -1.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -87.959311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.959311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.959311 (E_RNA) where: Base-Base interactions energy: -36.393 where: short stacking energy: -33.639 Base-Backbone interact. energy: -0.123 local terms energy: -51.443447 where: bonds (distance) C4'-P energy: -13.260 bonds (distance) P-C4' energy: -16.213 flat angles C4'-P-C4' energy: -10.751 flat angles P-C4'-P energy: -6.868 tors. eta vs tors. theta energy: -4.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -85.013093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.013093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.013093 (E_RNA) where: Base-Base interactions energy: -32.357 where: short stacking energy: -24.234 Base-Backbone interact. energy: -0.191 local terms energy: -52.464894 where: bonds (distance) C4'-P energy: -13.446 bonds (distance) P-C4' energy: -15.844 flat angles C4'-P-C4' energy: -9.641 flat angles P-C4'-P energy: -8.819 tors. eta vs tors. theta energy: -4.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -73.456673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.456673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.456673 (E_RNA) where: Base-Base interactions energy: -28.961 where: short stacking energy: -28.961 Base-Backbone interact. energy: 0.955 local terms energy: -45.450367 where: bonds (distance) C4'-P energy: -13.541 bonds (distance) P-C4' energy: -11.374 flat angles C4'-P-C4' energy: -10.560 flat angles P-C4'-P energy: -7.014 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: 1, replica: 10 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -221.163423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.163423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.163423 (E_RNA) where: Base-Base interactions energy: -146.519 where: short stacking energy: -69.010 Base-Backbone interact. energy: 0.848 local terms energy: -75.492529 where: bonds (distance) C4'-P energy: -15.276 bonds (distance) P-C4' energy: -15.727 flat angles C4'-P-C4' energy: -15.451 flat angles P-C4'-P energy: -12.812 tors. eta vs tors. theta energy: -16.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -206.146836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.146836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.146836 (E_RNA) where: Base-Base interactions energy: -135.476 where: short stacking energy: -64.622 Base-Backbone interact. energy: -0.172 local terms energy: -70.499025 where: bonds (distance) C4'-P energy: -13.118 bonds (distance) P-C4' energy: -15.963 flat angles C4'-P-C4' energy: -16.192 flat angles P-C4'-P energy: -6.348 tors. eta vs tors. theta energy: -18.879 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: 4 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -197.066157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.066157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.066157 (E_RNA) where: Base-Base interactions energy: -128.629 where: short stacking energy: -56.182 Base-Backbone interact. energy: -0.101 local terms energy: -68.335489 where: bonds (distance) C4'-P energy: -15.308 bonds (distance) P-C4' energy: -14.324 flat angles C4'-P-C4' energy: -14.121 flat angles P-C4'-P energy: -10.136 tors. eta vs tors. theta energy: -14.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -196.480519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.480519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.480519 (E_RNA) where: Base-Base interactions energy: -134.329 where: short stacking energy: -57.185 Base-Backbone interact. energy: -0.058 local terms energy: -62.092773 where: bonds (distance) C4'-P energy: -10.867 bonds (distance) P-C4' energy: -11.361 flat angles C4'-P-C4' energy: -15.395 flat angles P-C4'-P energy: -10.518 tors. eta vs tors. theta energy: -13.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -198.952117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.952117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.952117 (E_RNA) where: Base-Base interactions energy: -136.120 where: short stacking energy: -67.013 Base-Backbone interact. energy: -0.049 local terms energy: -62.782469 where: bonds (distance) C4'-P energy: -10.216 bonds (distance) P-C4' energy: -11.995 flat angles C4'-P-C4' energy: -14.785 flat angles P-C4'-P energy: -7.150 tors. eta vs tors. theta energy: -18.637 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: 1 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -187.390833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.390833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.390833 (E_RNA) where: Base-Base interactions energy: -126.475 where: short stacking energy: -57.856 Base-Backbone interact. energy: -0.645 local terms energy: -60.270756 where: bonds (distance) C4'-P energy: -14.771 bonds (distance) P-C4' energy: -11.568 flat angles C4'-P-C4' energy: -12.883 flat angles P-C4'-P energy: -5.593 tors. eta vs tors. theta energy: -15.456 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: 6 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -125.432978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.432978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.432978 (E_RNA) where: Base-Base interactions energy: -74.322 where: short stacking energy: -43.316 Base-Backbone interact. energy: -0.101 local terms energy: -51.009971 where: bonds (distance) C4'-P energy: -9.084 bonds (distance) P-C4' energy: -12.350 flat angles C4'-P-C4' energy: -11.937 flat angles P-C4'-P energy: -9.180 tors. eta vs tors. theta energy: -8.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -79.655040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.655040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.655040 (E_RNA) where: Base-Base interactions energy: -29.358 where: short stacking energy: -29.358 Base-Backbone interact. energy: -0.353 local terms energy: -49.943305 where: bonds (distance) C4'-P energy: -14.249 bonds (distance) P-C4' energy: -12.964 flat angles C4'-P-C4' energy: -9.644 flat angles P-C4'-P energy: -9.928 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: 9, replica: 9 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -83.121278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.121278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.121278 (E_RNA) where: Base-Base interactions energy: -42.628 where: short stacking energy: -22.720 Base-Backbone interact. energy: -0.333 local terms energy: -40.160484 where: bonds (distance) C4'-P energy: -7.443 bonds (distance) P-C4' energy: -10.301 flat angles C4'-P-C4' energy: -15.174 flat angles P-C4'-P energy: -6.238 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: 8 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -76.557954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.557954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.557954 (E_RNA) where: Base-Base interactions energy: -30.863 where: short stacking energy: -27.342 Base-Backbone interact. energy: -0.146 local terms energy: -45.548009 where: bonds (distance) C4'-P energy: -14.865 bonds (distance) P-C4' energy: -12.109 flat angles C4'-P-C4' energy: -13.111 flat angles P-C4'-P energy: -8.292 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: 1, replica: 3 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -213.374636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.374636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.374636 (E_RNA) where: Base-Base interactions energy: -135.567 where: short stacking energy: -68.215 Base-Backbone interact. energy: -0.341 local terms energy: -77.466384 where: bonds (distance) C4'-P energy: -14.100 bonds (distance) P-C4' energy: -15.541 flat angles C4'-P-C4' energy: -16.721 flat angles P-C4'-P energy: -12.725 tors. eta vs tors. theta energy: -18.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -209.521040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.521040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.521040 (E_RNA) where: Base-Base interactions energy: -140.288 where: short stacking energy: -64.453 Base-Backbone interact. energy: -0.001 local terms energy: -69.231902 where: bonds (distance) C4'-P energy: -11.703 bonds (distance) P-C4' energy: -16.650 flat angles C4'-P-C4' energy: -17.428 flat angles P-C4'-P energy: -4.963 tors. eta vs tors. theta energy: -18.489 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: 4 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -204.923857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.923857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.923857 (E_RNA) where: Base-Base interactions energy: -144.675 where: short stacking energy: -61.153 Base-Backbone interact. energy: 0.324 local terms energy: -60.573473 where: bonds (distance) C4'-P energy: -10.350 bonds (distance) P-C4' energy: -17.259 flat angles C4'-P-C4' energy: -14.031 flat angles P-C4'-P energy: -4.367 tors. eta vs tors. theta energy: -14.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -199.903153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.903153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.903153 (E_RNA) where: Base-Base interactions energy: -133.899 where: short stacking energy: -56.644 Base-Backbone interact. energy: -0.000 local terms energy: -66.003801 where: bonds (distance) C4'-P energy: -14.870 bonds (distance) P-C4' energy: -12.507 flat angles C4'-P-C4' energy: -11.835 flat angles P-C4'-P energy: -10.500 tors. eta vs tors. theta energy: -16.292 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: 2 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -202.186453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.186453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.186453 (E_RNA) where: Base-Base interactions energy: -131.224 where: short stacking energy: -65.842 Base-Backbone interact. energy: -0.391 local terms energy: -70.571580 where: bonds (distance) C4'-P energy: -16.000 bonds (distance) P-C4' energy: -13.419 flat angles C4'-P-C4' energy: -13.576 flat angles P-C4'-P energy: -10.093 tors. eta vs tors. theta energy: -17.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -190.720873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.720873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.720873 (E_RNA) where: Base-Base interactions energy: -116.709 where: short stacking energy: -60.387 Base-Backbone interact. energy: 0.214 local terms energy: -74.225928 where: bonds (distance) C4'-P energy: -14.605 bonds (distance) P-C4' energy: -13.251 flat angles C4'-P-C4' energy: -17.174 flat angles P-C4'-P energy: -12.848 tors. eta vs tors. theta energy: -16.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -143.660414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.660414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.660414 (E_RNA) where: Base-Base interactions energy: -90.553 where: short stacking energy: -35.683 Base-Backbone interact. energy: 0.028 local terms energy: -53.135036 where: bonds (distance) C4'-P energy: -12.006 bonds (distance) P-C4' energy: -15.765 flat angles C4'-P-C4' energy: -8.518 flat angles P-C4'-P energy: -10.952 tors. eta vs tors. theta energy: -5.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -87.249328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.249328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.249328 (E_RNA) where: Base-Base interactions energy: -39.476 where: short stacking energy: -39.476 Base-Backbone interact. energy: 0.034 local terms energy: -47.806422 where: bonds (distance) C4'-P energy: -10.774 bonds (distance) P-C4' energy: -13.342 flat angles C4'-P-C4' energy: -13.095 flat angles P-C4'-P energy: -4.744 tors. eta vs tors. theta energy: -5.851 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: 8 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -92.744367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.744367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.744367 (E_RNA) where: Base-Base interactions energy: -41.640 where: short stacking energy: -32.804 Base-Backbone interact. energy: -0.163 local terms energy: -50.940833 where: bonds (distance) C4'-P energy: -9.469 bonds (distance) P-C4' energy: -13.394 flat angles C4'-P-C4' energy: -14.673 flat angles P-C4'-P energy: -10.960 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: 9 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -75.180052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.180052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.180052 (E_RNA) where: Base-Base interactions energy: -29.850 where: short stacking energy: -28.648 Base-Backbone interact. energy: -0.272 local terms energy: -45.057701 where: bonds (distance) C4'-P energy: -10.710 bonds (distance) P-C4' energy: -10.604 flat angles C4'-P-C4' energy: -13.090 flat angles P-C4'-P energy: -7.412 tors. eta vs tors. theta energy: -3.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -211.081839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.081839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.081839 (E_RNA) where: Base-Base interactions energy: -135.786 where: short stacking energy: -70.367 Base-Backbone interact. energy: -0.003 local terms energy: -75.292742 where: bonds (distance) C4'-P energy: -13.296 bonds (distance) P-C4' energy: -15.474 flat angles C4'-P-C4' energy: -14.021 flat angles P-C4'-P energy: -11.114 tors. eta vs tors. theta energy: -21.388 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: 4 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -205.764248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.764248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.764248 (E_RNA) where: Base-Base interactions energy: -137.997 where: short stacking energy: -62.715 Base-Backbone interact. energy: -1.424 local terms energy: -66.343780 where: bonds (distance) C4'-P energy: -12.995 bonds (distance) P-C4' energy: -15.401 flat angles C4'-P-C4' energy: -13.951 flat angles P-C4'-P energy: -7.453 tors. eta vs tors. theta energy: -16.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -203.630074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.630074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.630074 (E_RNA) where: Base-Base interactions energy: -134.408 where: short stacking energy: -62.182 Base-Backbone interact. energy: -0.003 local terms energy: -69.218410 where: bonds (distance) C4'-P energy: -13.301 bonds (distance) P-C4' energy: -13.493 flat angles C4'-P-C4' energy: -16.474 flat angles P-C4'-P energy: -8.093 tors. eta vs tors. theta energy: -17.858 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: 2 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -202.110757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.110757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.110757 (E_RNA) where: Base-Base interactions energy: -130.014 where: short stacking energy: -64.044 Base-Backbone interact. energy: -0.011 local terms energy: -72.085629 where: bonds (distance) C4'-P energy: -11.237 bonds (distance) P-C4' energy: -16.405 flat angles C4'-P-C4' energy: -15.913 flat angles P-C4'-P energy: -8.105 tors. eta vs tors. theta energy: -20.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -182.345983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.345983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.345983 (E_RNA) where: Base-Base interactions energy: -114.537 where: short stacking energy: -55.102 Base-Backbone interact. energy: -0.146 local terms energy: -67.663387 where: bonds (distance) C4'-P energy: -14.645 bonds (distance) P-C4' energy: -13.793 flat angles C4'-P-C4' energy: -14.258 flat angles P-C4'-P energy: -9.144 tors. eta vs tors. theta energy: -15.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -194.116979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.116979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.116979 (E_RNA) where: Base-Base interactions energy: -124.826 where: short stacking energy: -49.438 Base-Backbone interact. energy: -0.006 local terms energy: -69.284776 where: bonds (distance) C4'-P energy: -15.540 bonds (distance) P-C4' energy: -14.751 flat angles C4'-P-C4' energy: -15.065 flat angles P-C4'-P energy: -10.461 tors. eta vs tors. theta energy: -13.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -159.008865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.008865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.008865 (E_RNA) where: Base-Base interactions energy: -98.036 where: short stacking energy: -43.451 Base-Backbone interact. energy: -0.191 local terms energy: -60.781820 where: bonds (distance) C4'-P energy: -11.209 bonds (distance) P-C4' energy: -17.989 flat angles C4'-P-C4' energy: -10.929 flat angles P-C4'-P energy: -8.484 tors. eta vs tors. theta energy: -12.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -90.897642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.897642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.897642 (E_RNA) where: Base-Base interactions energy: -41.961 where: short stacking energy: -31.375 Base-Backbone interact. energy: -0.138 local terms energy: -48.799527 where: bonds (distance) C4'-P energy: -13.522 bonds (distance) P-C4' energy: -10.484 flat angles C4'-P-C4' energy: -14.285 flat angles P-C4'-P energy: -6.147 tors. eta vs tors. theta energy: -4.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -87.308706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.308706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.308706 (E_RNA) where: Base-Base interactions energy: -39.658 where: short stacking energy: -33.569 Base-Backbone interact. energy: -0.096 local terms energy: -47.554733 where: bonds (distance) C4'-P energy: -10.075 bonds (distance) P-C4' energy: -13.121 flat angles C4'-P-C4' energy: -9.106 flat angles P-C4'-P energy: -10.577 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: 10, replica: 9 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -79.465893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.465893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.465893 (E_RNA) where: Base-Base interactions energy: -35.307 where: short stacking energy: -29.165 Base-Backbone interact. energy: -0.290 local terms energy: -43.868816 where: bonds (distance) C4'-P energy: -13.631 bonds (distance) P-C4' energy: -12.241 flat angles C4'-P-C4' energy: -13.234 flat angles P-C4'-P energy: -3.779 tors. eta vs tors. theta energy: -0.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -219.764988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.764988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.764988 (E_RNA) where: Base-Base interactions energy: -155.932 where: short stacking energy: -55.699 Base-Backbone interact. energy: 0.547 local terms energy: -64.380901 where: bonds (distance) C4'-P energy: -12.940 bonds (distance) P-C4' energy: -14.064 flat angles C4'-P-C4' energy: -15.958 flat angles P-C4'-P energy: -6.850 tors. eta vs tors. theta energy: -14.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -217.457054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.457054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.457054 (E_RNA) where: Base-Base interactions energy: -140.283 where: short stacking energy: -73.089 Base-Backbone interact. energy: -0.239 local terms energy: -76.935165 where: bonds (distance) C4'-P energy: -13.483 bonds (distance) P-C4' energy: -16.439 flat angles C4'-P-C4' energy: -16.033 flat angles P-C4'-P energy: -10.453 tors. eta vs tors. theta energy: -20.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -206.786795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.786795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.786795 (E_RNA) where: Base-Base interactions energy: -129.016 where: short stacking energy: -61.449 Base-Backbone interact. energy: -0.637 local terms energy: -77.133137 where: bonds (distance) C4'-P energy: -13.487 bonds (distance) P-C4' energy: -15.665 flat angles C4'-P-C4' energy: -16.479 flat angles P-C4'-P energy: -12.368 tors. eta vs tors. theta energy: -19.135 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: 10 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -203.267681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.267681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.267681 (E_RNA) where: Base-Base interactions energy: -128.853 where: short stacking energy: -60.761 Base-Backbone interact. energy: -0.021 local terms energy: -74.393564 where: bonds (distance) C4'-P energy: -13.607 bonds (distance) P-C4' energy: -17.062 flat angles C4'-P-C4' energy: -17.439 flat angles P-C4'-P energy: -7.141 tors. eta vs tors. theta energy: -19.144 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: 1 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -208.492575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.492575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.492575 (E_RNA) where: Base-Base interactions energy: -146.671 where: short stacking energy: -56.215 Base-Backbone interact. energy: -0.218 local terms energy: -61.602933 where: bonds (distance) C4'-P energy: -12.886 bonds (distance) P-C4' energy: -14.060 flat angles C4'-P-C4' energy: -12.968 flat angles P-C4'-P energy: -10.037 tors. eta vs tors. theta energy: -11.651 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: 5 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -179.748744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.748744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.748744 (E_RNA) where: Base-Base interactions energy: -117.196 where: short stacking energy: -48.749 Base-Backbone interact. energy: -0.531 local terms energy: -62.021640 where: bonds (distance) C4'-P energy: -10.582 bonds (distance) P-C4' energy: -15.820 flat angles C4'-P-C4' energy: -15.663 flat angles P-C4'-P energy: -9.470 tors. eta vs tors. theta energy: -10.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -166.823605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.823605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.823605 (E_RNA) where: Base-Base interactions energy: -116.947 where: short stacking energy: -47.682 Base-Backbone interact. energy: 0.622 local terms energy: -50.498504 where: bonds (distance) C4'-P energy: -11.942 bonds (distance) P-C4' energy: -11.739 flat angles C4'-P-C4' energy: -10.839 flat angles P-C4'-P energy: -5.740 tors. eta vs tors. theta energy: -10.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -88.524597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.524597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.524597 (E_RNA) where: Base-Base interactions energy: -39.405 where: short stacking energy: -39.405 Base-Backbone interact. energy: -0.145 local terms energy: -48.974531 where: bonds (distance) C4'-P energy: -12.381 bonds (distance) P-C4' energy: -11.968 flat angles C4'-P-C4' energy: -11.041 flat angles P-C4'-P energy: -7.759 tors. eta vs tors. theta energy: -5.825 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: 9, replica: 9 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -81.250815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.250815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.250815 (E_RNA) where: Base-Base interactions energy: -33.118 where: short stacking energy: -29.856 Base-Backbone interact. energy: -0.102 local terms energy: -48.030001 where: bonds (distance) C4'-P energy: -14.397 bonds (distance) P-C4' energy: -13.175 flat angles C4'-P-C4' energy: -10.380 flat angles P-C4'-P energy: -8.342 tors. eta vs tors. theta energy: -1.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -127.981901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.981901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.981901 (E_RNA) where: Base-Base interactions energy: -81.281 where: short stacking energy: -32.151 Base-Backbone interact. energy: -0.012 local terms energy: -46.688890 where: bonds (distance) C4'-P energy: -12.838 bonds (distance) P-C4' energy: -6.470 flat angles C4'-P-C4' energy: -16.103 flat angles P-C4'-P energy: -6.647 tors. eta vs tors. theta energy: -4.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -206.030253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.030253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.030253 (E_RNA) where: Base-Base interactions energy: -139.683 where: short stacking energy: -57.930 Base-Backbone interact. energy: -0.480 local terms energy: -65.867350 where: bonds (distance) C4'-P energy: -12.070 bonds (distance) P-C4' energy: -15.724 flat angles C4'-P-C4' energy: -14.299 flat angles P-C4'-P energy: -6.180 tors. eta vs tors. theta energy: -17.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -206.992777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.992777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.992777 (E_RNA) where: Base-Base interactions energy: -133.479 where: short stacking energy: -64.316 Base-Backbone interact. energy: -0.114 local terms energy: -73.399264 where: bonds (distance) C4'-P energy: -13.887 bonds (distance) P-C4' energy: -15.660 flat angles C4'-P-C4' energy: -16.216 flat angles P-C4'-P energy: -10.375 tors. eta vs tors. theta energy: -17.261 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: 3 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -207.108098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.108098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.108098 (E_RNA) where: Base-Base interactions energy: -136.829 where: short stacking energy: -64.977 Base-Backbone interact. energy: -0.092 local terms energy: -70.187743 where: bonds (distance) C4'-P energy: -15.350 bonds (distance) P-C4' energy: -12.709 flat angles C4'-P-C4' energy: -12.776 flat angles P-C4'-P energy: -10.730 tors. eta vs tors. theta energy: -18.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -204.020415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.020415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.020415 (E_RNA) where: Base-Base interactions energy: -134.182 where: short stacking energy: -54.798 Base-Backbone interact. energy: -0.634 local terms energy: -69.204203 where: bonds (distance) C4'-P energy: -17.168 bonds (distance) P-C4' energy: -13.564 flat angles C4'-P-C4' energy: -16.382 flat angles P-C4'-P energy: -8.550 tors. eta vs tors. theta energy: -13.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -178.503033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.503033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.503033 (E_RNA) where: Base-Base interactions energy: -117.082 where: short stacking energy: -54.091 Base-Backbone interact. energy: -0.053 local terms energy: -61.368095 where: bonds (distance) C4'-P energy: -13.239 bonds (distance) P-C4' energy: -15.544 flat angles C4'-P-C4' energy: -13.453 flat angles P-C4'-P energy: -7.060 tors. eta vs tors. theta energy: -12.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -177.553884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.553884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.553884 (E_RNA) where: Base-Base interactions energy: -117.012 where: short stacking energy: -59.139 Base-Backbone interact. energy: -0.070 local terms energy: -60.472155 where: bonds (distance) C4'-P energy: -8.267 bonds (distance) P-C4' energy: -15.209 flat angles C4'-P-C4' energy: -13.376 flat angles P-C4'-P energy: -9.934 tors. eta vs tors. theta energy: -13.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -167.255005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.255005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.255005 (E_RNA) where: Base-Base interactions energy: -107.308 where: short stacking energy: -48.382 Base-Backbone interact. energy: -0.021 local terms energy: -59.925777 where: bonds (distance) C4'-P energy: -12.134 bonds (distance) P-C4' energy: -14.628 flat angles C4'-P-C4' energy: -11.735 flat angles P-C4'-P energy: -9.756 tors. eta vs tors. theta energy: -11.672 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: 9 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -82.297457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.297457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.297457 (E_RNA) where: Base-Base interactions energy: -31.465 where: short stacking energy: -31.465 Base-Backbone interact. energy: -0.044 local terms energy: -50.788780 where: bonds (distance) C4'-P energy: -12.207 bonds (distance) P-C4' energy: -14.993 flat angles C4'-P-C4' energy: -14.739 flat angles P-C4'-P energy: -7.956 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: 9, replica: 8 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -73.376069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.376069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.376069 (E_RNA) where: Base-Base interactions energy: -30.723 where: short stacking energy: -30.723 Base-Backbone interact. energy: -0.062 local terms energy: -42.591695 where: bonds (distance) C4'-P energy: -11.566 bonds (distance) P-C4' energy: -13.539 flat angles C4'-P-C4' energy: -8.334 flat angles P-C4'-P energy: -8.940 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: 10, replica: 6 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -78.858363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.858363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.858363 (E_RNA) where: Base-Base interactions energy: -28.948 where: short stacking energy: -24.457 Base-Backbone interact. energy: -0.456 local terms energy: -49.454140 where: bonds (distance) C4'-P energy: -10.730 bonds (distance) P-C4' energy: -16.425 flat angles C4'-P-C4' energy: -13.213 flat angles P-C4'-P energy: -7.559 tors. eta vs tors. theta energy: -1.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -213.713403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.713403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.713403 (E_RNA) where: Base-Base interactions energy: -138.668 where: short stacking energy: -69.797 Base-Backbone interact. energy: 0.108 local terms energy: -75.153833 where: bonds (distance) C4'-P energy: -13.799 bonds (distance) P-C4' energy: -13.550 flat angles C4'-P-C4' energy: -16.200 flat angles P-C4'-P energy: -12.307 tors. eta vs tors. theta energy: -19.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -201.907245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.907245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.907245 (E_RNA) where: Base-Base interactions energy: -135.074 where: short stacking energy: -59.214 Base-Backbone interact. energy: -0.595 local terms energy: -66.238050 where: bonds (distance) C4'-P energy: -16.252 bonds (distance) P-C4' energy: -11.920 flat angles C4'-P-C4' energy: -12.031 flat angles P-C4'-P energy: -9.070 tors. eta vs tors. theta energy: -16.965 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: 3, replica: 1 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -205.839177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.839177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.839177 (E_RNA) where: Base-Base interactions energy: -143.331 where: short stacking energy: -61.405 Base-Backbone interact. energy: 1.665 local terms energy: -64.172736 where: bonds (distance) C4'-P energy: -13.992 bonds (distance) P-C4' energy: -13.954 flat angles C4'-P-C4' energy: -14.379 flat angles P-C4'-P energy: -8.805 tors. eta vs tors. theta energy: -13.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -197.277467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.277467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.277467 (E_RNA) where: Base-Base interactions energy: -130.063 where: short stacking energy: -59.360 Base-Backbone interact. energy: -0.663 local terms energy: -66.551674 where: bonds (distance) C4'-P energy: -12.879 bonds (distance) P-C4' energy: -12.659 flat angles C4'-P-C4' energy: -16.775 flat angles P-C4'-P energy: -10.448 tors. eta vs tors. theta energy: -13.790 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: 5, replica: 5 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -192.037654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.037654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.037654 (E_RNA) where: Base-Base interactions energy: -120.536 where: short stacking energy: -59.535 Base-Backbone interact. energy: -0.260 local terms energy: -71.242116 where: bonds (distance) C4'-P energy: -12.919 bonds (distance) P-C4' energy: -15.268 flat angles C4'-P-C4' energy: -13.949 flat angles P-C4'-P energy: -11.594 tors. eta vs tors. theta energy: -17.511 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: 62 Temperature: 1.150000 Total energy: -171.783635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.783635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.783635 (E_RNA) where: Base-Base interactions energy: -110.427 where: short stacking energy: -52.558 Base-Backbone interact. energy: -0.001 local terms energy: -61.355758 where: bonds (distance) C4'-P energy: -16.845 bonds (distance) P-C4' energy: -12.290 flat angles C4'-P-C4' energy: -9.899 flat angles P-C4'-P energy: -11.975 tors. eta vs tors. theta energy: -10.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -184.366057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.366057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.366057 (E_RNA) where: Base-Base interactions energy: -124.837 where: short stacking energy: -55.384 Base-Backbone interact. energy: -0.001 local terms energy: -59.528017 where: bonds (distance) C4'-P energy: -13.002 bonds (distance) P-C4' energy: -12.267 flat angles C4'-P-C4' energy: -14.019 flat angles P-C4'-P energy: -7.674 tors. eta vs tors. theta energy: -12.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -93.076555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.076555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.076555 (E_RNA) where: Base-Base interactions energy: -32.475 where: short stacking energy: -30.270 Base-Backbone interact. energy: -0.070 local terms energy: -60.532141 where: bonds (distance) C4'-P energy: -14.509 bonds (distance) P-C4' energy: -13.482 flat angles C4'-P-C4' energy: -12.865 flat angles P-C4'-P energy: -9.995 tors. eta vs tors. theta energy: -9.681 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: 9, replica: 8 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -88.883519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.883519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.883519 (E_RNA) where: Base-Base interactions energy: -36.056 where: short stacking energy: -26.028 Base-Backbone interact. energy: -0.040 local terms energy: -52.788310 where: bonds (distance) C4'-P energy: -15.582 bonds (distance) P-C4' energy: -15.755 flat angles C4'-P-C4' energy: -11.734 flat angles P-C4'-P energy: -5.087 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: 10, replica: 6 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -75.700818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.700818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.700818 (E_RNA) where: Base-Base interactions energy: -35.330 where: short stacking energy: -32.355 Base-Backbone interact. energy: 3.839 local terms energy: -44.209788 where: bonds (distance) C4'-P energy: -13.843 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -8.945 flat angles P-C4'-P energy: -6.858 tors. eta vs tors. theta energy: -7.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -215.745776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.745776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.745776 (E_RNA) where: Base-Base interactions energy: -142.040 where: short stacking energy: -69.633 Base-Backbone interact. energy: -0.026 local terms energy: -73.679417 where: bonds (distance) C4'-P energy: -12.841 bonds (distance) P-C4' energy: -16.463 flat angles C4'-P-C4' energy: -15.108 flat angles P-C4'-P energy: -11.805 tors. eta vs tors. theta energy: -17.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -211.273292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.273292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.273292 (E_RNA) where: Base-Base interactions energy: -151.158 where: short stacking energy: -64.116 Base-Backbone interact. energy: -0.002 local terms energy: -60.112871 where: bonds (distance) C4'-P energy: -16.054 bonds (distance) P-C4' energy: -8.613 flat angles C4'-P-C4' energy: -10.669 flat angles P-C4'-P energy: -7.195 tors. eta vs tors. theta energy: -17.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -199.077330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.077330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.077330 (E_RNA) where: Base-Base interactions energy: -130.511 where: short stacking energy: -57.430 Base-Backbone interact. energy: -0.065 local terms energy: -68.501595 where: bonds (distance) C4'-P energy: -11.356 bonds (distance) P-C4' energy: -13.784 flat angles C4'-P-C4' energy: -17.686 flat angles P-C4'-P energy: -7.487 tors. eta vs tors. theta energy: -18.189 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: 3 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -201.766757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.766757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.766757 (E_RNA) where: Base-Base interactions energy: -129.884 where: short stacking energy: -61.199 Base-Backbone interact. energy: -0.003 local terms energy: -71.879327 where: bonds (distance) C4'-P energy: -11.499 bonds (distance) P-C4' energy: -14.019 flat angles C4'-P-C4' energy: -14.704 flat angles P-C4'-P energy: -12.058 tors. eta vs tors. theta energy: -19.599 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: 5 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -183.434486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.434486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.434486 (E_RNA) where: Base-Base interactions energy: -122.838 where: short stacking energy: -61.984 Base-Backbone interact. energy: -0.368 local terms energy: -60.228415 where: bonds (distance) C4'-P energy: -7.351 bonds (distance) P-C4' energy: -14.737 flat angles C4'-P-C4' energy: -12.667 flat angles P-C4'-P energy: -9.984 tors. eta vs tors. theta energy: -15.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -184.855865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.855865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.855865 (E_RNA) where: Base-Base interactions energy: -125.483 where: short stacking energy: -50.838 Base-Backbone interact. energy: -0.052 local terms energy: -59.321037 where: bonds (distance) C4'-P energy: -13.094 bonds (distance) P-C4' energy: -13.457 flat angles C4'-P-C4' energy: -15.179 flat angles P-C4'-P energy: -5.108 tors. eta vs tors. theta energy: -12.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -167.458400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.458400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.458400 (E_RNA) where: Base-Base interactions energy: -106.047 where: short stacking energy: -50.607 Base-Backbone interact. energy: -0.010 local terms energy: -61.401459 where: bonds (distance) C4'-P energy: -11.641 bonds (distance) P-C4' energy: -17.059 flat angles C4'-P-C4' energy: -13.843 flat angles P-C4'-P energy: -7.855 tors. eta vs tors. theta energy: -11.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -127.622539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.622539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.622539 (E_RNA) where: Base-Base interactions energy: -77.707 where: short stacking energy: -32.901 Base-Backbone interact. energy: 0.208 local terms energy: -50.124005 where: bonds (distance) C4'-P energy: -12.561 bonds (distance) P-C4' energy: -13.552 flat angles C4'-P-C4' energy: -11.280 flat angles P-C4'-P energy: -5.297 tors. eta vs tors. theta energy: -7.434 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: 9, replica: 9 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -85.839579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.839579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.839579 (E_RNA) where: Base-Base interactions energy: -45.825 where: short stacking energy: -41.577 Base-Backbone interact. energy: -0.170 local terms energy: -39.844596 where: bonds (distance) C4'-P energy: -7.378 bonds (distance) P-C4' energy: -7.395 flat angles C4'-P-C4' energy: -14.560 flat angles P-C4'-P energy: -3.306 tors. eta vs tors. theta energy: -7.205 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: 63 Temperature: 1.350000 Total energy: -92.514179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.514179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.514179 (E_RNA) where: Base-Base interactions energy: -42.480 where: short stacking energy: -22.503 Base-Backbone interact. energy: -1.039 local terms energy: -48.994800 where: bonds (distance) C4'-P energy: -15.876 bonds (distance) P-C4' energy: -15.336 flat angles C4'-P-C4' energy: -11.718 flat angles P-C4'-P energy: -5.188 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: 1, replica: 1 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -224.173830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.173830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.173830 (E_RNA) where: Base-Base interactions energy: -152.261 where: short stacking energy: -74.150 Base-Backbone interact. energy: -0.434 local terms energy: -71.479048 where: bonds (distance) C4'-P energy: -13.976 bonds (distance) P-C4' energy: -17.109 flat angles C4'-P-C4' energy: -12.191 flat angles P-C4'-P energy: -8.925 tors. eta vs tors. theta energy: -19.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -206.863222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.863222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.863222 (E_RNA) where: Base-Base interactions energy: -132.234 where: short stacking energy: -65.046 Base-Backbone interact. energy: -0.424 local terms energy: -74.204427 where: bonds (distance) C4'-P energy: -14.879 bonds (distance) P-C4' energy: -14.779 flat angles C4'-P-C4' energy: -13.704 flat angles P-C4'-P energy: -10.663 tors. eta vs tors. theta energy: -20.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -212.355313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.355313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.355313 (E_RNA) where: Base-Base interactions energy: -135.062 where: short stacking energy: -75.188 Base-Backbone interact. energy: -0.096 local terms energy: -77.197541 where: bonds (distance) C4'-P energy: -15.052 bonds (distance) P-C4' energy: -14.202 flat angles C4'-P-C4' energy: -17.039 flat angles P-C4'-P energy: -9.530 tors. eta vs tors. theta energy: -21.374 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: 4 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -194.405587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.405587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.405587 (E_RNA) where: Base-Base interactions energy: -123.862 where: short stacking energy: -55.039 Base-Backbone interact. energy: -0.244 local terms energy: -70.300199 where: bonds (distance) C4'-P energy: -15.698 bonds (distance) P-C4' energy: -13.217 flat angles C4'-P-C4' energy: -17.046 flat angles P-C4'-P energy: -5.796 tors. eta vs tors. theta energy: -18.542 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: 7 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -179.215642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.215642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.215642 (E_RNA) where: Base-Base interactions energy: -120.453 where: short stacking energy: -45.474 Base-Backbone interact. energy: 0.225 local terms energy: -58.987437 where: bonds (distance) C4'-P energy: -12.465 bonds (distance) P-C4' energy: -12.403 flat angles C4'-P-C4' energy: -13.366 flat angles P-C4'-P energy: -8.050 tors. eta vs tors. theta energy: -12.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -168.559796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.559796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.559796 (E_RNA) where: Base-Base interactions energy: -117.690 where: short stacking energy: -54.800 Base-Backbone interact. energy: -0.070 local terms energy: -50.799340 where: bonds (distance) C4'-P energy: -8.817 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -12.175 flat angles P-C4'-P energy: -9.178 tors. eta vs tors. theta energy: -11.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -88.569134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.569134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.569134 (E_RNA) where: Base-Base interactions energy: -33.131 where: short stacking energy: -32.592 Base-Backbone interact. energy: -0.015 local terms energy: -55.423418 where: bonds (distance) C4'-P energy: -10.667 bonds (distance) P-C4' energy: -13.961 flat angles C4'-P-C4' energy: -14.855 flat angles P-C4'-P energy: -11.362 tors. eta vs tors. theta energy: -4.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -127.121356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.121356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.121356 (E_RNA) where: Base-Base interactions energy: -68.718 where: short stacking energy: -38.615 Base-Backbone interact. energy: -0.003 local terms energy: -58.401172 where: bonds (distance) C4'-P energy: -12.104 bonds (distance) P-C4' energy: -18.243 flat angles C4'-P-C4' energy: -9.133 flat angles P-C4'-P energy: -5.614 tors. eta vs tors. theta energy: -13.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -85.620219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.620219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.620219 (E_RNA) where: Base-Base interactions energy: -31.877 where: short stacking energy: -28.699 Base-Backbone interact. energy: -0.103 local terms energy: -53.640152 where: bonds (distance) C4'-P energy: -14.208 bonds (distance) P-C4' energy: -17.718 flat angles C4'-P-C4' energy: -9.333 flat angles P-C4'-P energy: -9.897 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: 10, replica: 9 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -74.332437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.332437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.332437 (E_RNA) where: Base-Base interactions energy: -27.667 where: short stacking energy: -16.329 Base-Backbone interact. energy: -0.053 local terms energy: -46.612446 where: bonds (distance) C4'-P energy: -13.321 bonds (distance) P-C4' energy: -14.386 flat angles C4'-P-C4' energy: -12.827 flat angles P-C4'-P energy: -7.521 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: 65 Temperature: 0.900000 Total energy: -216.860542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.860542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.860542 (E_RNA) where: Base-Base interactions energy: -142.614 where: short stacking energy: -60.700 Base-Backbone interact. energy: -0.664 local terms energy: -73.581777 where: bonds (distance) C4'-P energy: -16.509 bonds (distance) P-C4' energy: -13.091 flat angles C4'-P-C4' energy: -14.495 flat angles P-C4'-P energy: -12.051 tors. eta vs tors. theta energy: -17.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -208.674525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.674525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.674525 (E_RNA) where: Base-Base interactions energy: -130.760 where: short stacking energy: -66.819 Base-Backbone interact. energy: -0.090 local terms energy: -77.824627 where: bonds (distance) C4'-P energy: -15.089 bonds (distance) P-C4' energy: -16.482 flat angles C4'-P-C4' energy: -15.066 flat angles P-C4'-P energy: -11.476 tors. eta vs tors. theta energy: -19.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -206.112883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.112883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.112883 (E_RNA) where: Base-Base interactions energy: -132.724 where: short stacking energy: -68.537 Base-Backbone interact. energy: -0.166 local terms energy: -73.223108 where: bonds (distance) C4'-P energy: -13.500 bonds (distance) P-C4' energy: -17.048 flat angles C4'-P-C4' energy: -15.722 flat angles P-C4'-P energy: -7.822 tors. eta vs tors. theta energy: -19.132 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: 4, replica: 7 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -189.142035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.142035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.142035 (E_RNA) where: Base-Base interactions energy: -119.317 where: short stacking energy: -51.830 Base-Backbone interact. energy: -0.121 local terms energy: -69.703541 where: bonds (distance) C4'-P energy: -15.868 bonds (distance) P-C4' energy: -15.175 flat angles C4'-P-C4' energy: -15.276 flat angles P-C4'-P energy: -10.213 tors. eta vs tors. theta energy: -13.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -204.151334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.151334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.151334 (E_RNA) where: Base-Base interactions energy: -134.507 where: short stacking energy: -64.927 Base-Backbone interact. energy: -0.007 local terms energy: -69.637708 where: bonds (distance) C4'-P energy: -11.992 bonds (distance) P-C4' energy: -13.073 flat angles C4'-P-C4' energy: -14.399 flat angles P-C4'-P energy: -12.327 tors. eta vs tors. theta energy: -17.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -173.072996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.072996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.072996 (E_RNA) where: Base-Base interactions energy: -115.197 where: short stacking energy: -46.971 Base-Backbone interact. energy: 0.417 local terms energy: -58.292994 where: bonds (distance) C4'-P energy: -8.241 bonds (distance) P-C4' energy: -14.174 flat angles C4'-P-C4' energy: -13.137 flat angles P-C4'-P energy: -10.272 tors. eta vs tors. theta energy: -12.470 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: 8 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -152.961385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.961385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.961385 (E_RNA) where: Base-Base interactions energy: -98.276 where: short stacking energy: -42.775 Base-Backbone interact. energy: -0.021 local terms energy: -54.664228 where: bonds (distance) C4'-P energy: -11.288 bonds (distance) P-C4' energy: -13.564 flat angles C4'-P-C4' energy: -8.586 flat angles P-C4'-P energy: -11.531 tors. eta vs tors. theta energy: -9.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -151.780618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.780618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.780618 (E_RNA) where: Base-Base interactions energy: -96.535 where: short stacking energy: -41.017 Base-Backbone interact. energy: -0.176 local terms energy: -55.069515 where: bonds (distance) C4'-P energy: -12.398 bonds (distance) P-C4' energy: -13.928 flat angles C4'-P-C4' energy: -14.262 flat angles P-C4'-P energy: -9.977 tors. eta vs tors. theta energy: -4.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -83.363981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.363981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.363981 (E_RNA) where: Base-Base interactions energy: -36.342 where: short stacking energy: -18.966 Base-Backbone interact. energy: -0.272 local terms energy: -46.749297 where: bonds (distance) C4'-P energy: -11.732 bonds (distance) P-C4' energy: -12.782 flat angles C4'-P-C4' energy: -10.080 flat angles P-C4'-P energy: -8.448 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: 10, replica: 9 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -90.517876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.517876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.517876 (E_RNA) where: Base-Base interactions energy: -45.064 where: short stacking energy: -20.126 Base-Backbone interact. energy: -0.217 local terms energy: -45.236362 where: bonds (distance) C4'-P energy: -12.858 bonds (distance) P-C4' energy: -17.058 flat angles C4'-P-C4' energy: -5.193 flat angles P-C4'-P energy: -8.118 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: 1, replica: 2 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -205.560740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.560740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.560740 (E_RNA) where: Base-Base interactions energy: -131.623 where: short stacking energy: -67.325 Base-Backbone interact. energy: -0.017 local terms energy: -73.921391 where: bonds (distance) C4'-P energy: -14.398 bonds (distance) P-C4' energy: -14.236 flat angles C4'-P-C4' energy: -17.527 flat angles P-C4'-P energy: -10.876 tors. eta vs tors. theta energy: -16.885 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: 66 Temperature: 0.950000 Total energy: -215.336321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.336321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.336321 (E_RNA) where: Base-Base interactions energy: -140.563 where: short stacking energy: -58.475 Base-Backbone interact. energy: -0.439 local terms energy: -74.334089 where: bonds (distance) C4'-P energy: -15.184 bonds (distance) P-C4' energy: -14.974 flat angles C4'-P-C4' energy: -13.911 flat angles P-C4'-P energy: -12.663 tors. eta vs tors. theta energy: -17.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -205.677530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.677530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.677530 (E_RNA) where: Base-Base interactions energy: -131.212 where: short stacking energy: -65.190 Base-Backbone interact. energy: -0.833 local terms energy: -73.632408 where: bonds (distance) C4'-P energy: -14.651 bonds (distance) P-C4' energy: -16.160 flat angles C4'-P-C4' energy: -15.928 flat angles P-C4'-P energy: -8.231 tors. eta vs tors. theta energy: -18.663 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: 7 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -185.003187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.003187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.003187 (E_RNA) where: Base-Base interactions energy: -125.154 where: short stacking energy: -49.134 Base-Backbone interact. energy: -0.141 local terms energy: -59.707533 where: bonds (distance) C4'-P energy: -14.135 bonds (distance) P-C4' energy: -16.808 flat angles C4'-P-C4' energy: -12.396 flat angles P-C4'-P energy: -11.432 tors. eta vs tors. theta energy: -4.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -195.775186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.775186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.775186 (E_RNA) where: Base-Base interactions energy: -125.127 where: short stacking energy: -64.002 Base-Backbone interact. energy: -0.004 local terms energy: -70.644744 where: bonds (distance) C4'-P energy: -12.875 bonds (distance) P-C4' energy: -16.640 flat angles C4'-P-C4' energy: -16.195 flat angles P-C4'-P energy: -6.319 tors. eta vs tors. theta energy: -18.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -178.500894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.500894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.500894 (E_RNA) where: Base-Base interactions energy: -110.301 where: short stacking energy: -39.515 Base-Backbone interact. energy: 0.150 local terms energy: -68.349303 where: bonds (distance) C4'-P energy: -17.254 bonds (distance) P-C4' energy: -14.968 flat angles C4'-P-C4' energy: -13.742 flat angles P-C4'-P energy: -11.048 tors. eta vs tors. theta energy: -11.337 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: 10 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -162.716139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.716139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.716139 (E_RNA) where: Base-Base interactions energy: -101.533 where: short stacking energy: -40.756 Base-Backbone interact. energy: -0.245 local terms energy: -60.938075 where: bonds (distance) C4'-P energy: -13.392 bonds (distance) P-C4' energy: -13.797 flat angles C4'-P-C4' energy: -15.704 flat angles P-C4'-P energy: -10.399 tors. eta vs tors. theta energy: -7.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -169.150688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.150688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.150688 (E_RNA) where: Base-Base interactions energy: -106.696 where: short stacking energy: -50.618 Base-Backbone interact. energy: -0.103 local terms energy: -62.351501 where: bonds (distance) C4'-P energy: -14.053 bonds (distance) P-C4' energy: -16.096 flat angles C4'-P-C4' energy: -14.363 flat angles P-C4'-P energy: -6.231 tors. eta vs tors. theta energy: -11.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -90.832869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.832869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.832869 (E_RNA) where: Base-Base interactions energy: -39.288 where: short stacking energy: -39.288 Base-Backbone interact. energy: -0.061 local terms energy: -51.484053 where: bonds (distance) C4'-P energy: -7.741 bonds (distance) P-C4' energy: -9.579 flat angles C4'-P-C4' energy: -16.078 flat angles P-C4'-P energy: -9.884 tors. eta vs tors. theta energy: -8.201 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: 9 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -81.932429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.932429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.932429 (E_RNA) where: Base-Base interactions energy: -24.048 where: short stacking energy: -24.048 Base-Backbone interact. energy: -0.206 local terms energy: -57.678877 where: bonds (distance) C4'-P energy: -16.944 bonds (distance) P-C4' energy: -15.870 flat angles C4'-P-C4' energy: -13.880 flat angles P-C4'-P energy: -10.991 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: 2 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -216.579999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.579999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.579999 (E_RNA) where: Base-Base interactions energy: -143.183 where: short stacking energy: -69.778 Base-Backbone interact. energy: -0.035 local terms energy: -73.362269 where: bonds (distance) C4'-P energy: -13.794 bonds (distance) P-C4' energy: -14.998 flat angles C4'-P-C4' energy: -15.616 flat angles P-C4'-P energy: -9.982 tors. eta vs tors. theta energy: -18.972 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: 3 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -212.745882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.745882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.745882 (E_RNA) where: Base-Base interactions energy: -139.895 where: short stacking energy: -69.074 Base-Backbone interact. energy: -0.611 local terms energy: -72.239638 where: bonds (distance) C4'-P energy: -15.462 bonds (distance) P-C4' energy: -15.163 flat angles C4'-P-C4' energy: -14.847 flat angles P-C4'-P energy: -7.579 tors. eta vs tors. theta energy: -19.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -212.530437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.530437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.530437 (E_RNA) where: Base-Base interactions energy: -147.005 where: short stacking energy: -69.973 Base-Backbone interact. energy: -0.312 local terms energy: -65.212835 where: bonds (distance) C4'-P energy: -10.833 bonds (distance) P-C4' energy: -9.597 flat angles C4'-P-C4' energy: -15.752 flat angles P-C4'-P energy: -9.135 tors. eta vs tors. theta energy: -19.896 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: 4, replica: 7 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -196.056419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.056419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.056419 (E_RNA) where: Base-Base interactions energy: -143.413 where: short stacking energy: -47.652 Base-Backbone interact. energy: -1.199 local terms energy: -51.443951 where: bonds (distance) C4'-P energy: -9.976 bonds (distance) P-C4' energy: -14.750 flat angles C4'-P-C4' energy: -11.093 flat angles P-C4'-P energy: -10.289 tors. eta vs tors. theta energy: -5.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -186.103573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.103573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.103573 (E_RNA) where: Base-Base interactions energy: -127.108 where: short stacking energy: -55.628 Base-Backbone interact. energy: -0.114 local terms energy: -58.881528 where: bonds (distance) C4'-P energy: -7.293 bonds (distance) P-C4' energy: -13.596 flat angles C4'-P-C4' energy: -13.700 flat angles P-C4'-P energy: -9.830 tors. eta vs tors. theta energy: -14.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -191.187769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.187769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.187769 (E_RNA) where: Base-Base interactions energy: -127.634 where: short stacking energy: -60.716 Base-Backbone interact. energy: -0.005 local terms energy: -63.549007 where: bonds (distance) C4'-P energy: -13.938 bonds (distance) P-C4' energy: -13.275 flat angles C4'-P-C4' energy: -12.410 flat angles P-C4'-P energy: -9.418 tors. eta vs tors. theta energy: -14.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -168.333839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.333839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.333839 (E_RNA) where: Base-Base interactions energy: -109.505 where: short stacking energy: -57.306 Base-Backbone interact. energy: 0.017 local terms energy: -58.845447 where: bonds (distance) C4'-P energy: -14.589 bonds (distance) P-C4' energy: -13.151 flat angles C4'-P-C4' energy: -9.946 flat angles P-C4'-P energy: -8.173 tors. eta vs tors. theta energy: -12.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -179.407568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.407568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.407568 (E_RNA) where: Base-Base interactions energy: -121.627 where: short stacking energy: -55.043 Base-Backbone interact. energy: -0.581 local terms energy: -57.200530 where: bonds (distance) C4'-P energy: -8.768 bonds (distance) P-C4' energy: -13.669 flat angles C4'-P-C4' energy: -11.658 flat angles P-C4'-P energy: -5.575 tors. eta vs tors. theta energy: -17.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -88.245469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.245469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.245469 (E_RNA) where: Base-Base interactions energy: -34.028 where: short stacking energy: -34.028 Base-Backbone interact. energy: -0.036 local terms energy: -54.181452 where: bonds (distance) C4'-P energy: -14.970 bonds (distance) P-C4' energy: -11.513 flat angles C4'-P-C4' energy: -11.304 flat angles P-C4'-P energy: -9.870 tors. eta vs tors. theta energy: -6.524 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: 10, replica: 9 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -93.736571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.736571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.736571 (E_RNA) where: Base-Base interactions energy: -44.495 where: short stacking energy: -31.109 Base-Backbone interact. energy: -0.008 local terms energy: -49.233901 where: bonds (distance) C4'-P energy: -14.405 bonds (distance) P-C4' energy: -5.794 flat angles C4'-P-C4' energy: -12.422 flat angles P-C4'-P energy: -5.993 tors. eta vs tors. theta energy: -10.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -210.713768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.713768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.713768 (E_RNA) where: Base-Base interactions energy: -133.986 where: short stacking energy: -66.028 Base-Backbone interact. energy: 0.192 local terms energy: -76.919387 where: bonds (distance) C4'-P energy: -14.099 bonds (distance) P-C4' energy: -16.826 flat angles C4'-P-C4' energy: -16.744 flat angles P-C4'-P energy: -9.641 tors. eta vs tors. theta energy: -19.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -204.818018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.818018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.818018 (E_RNA) where: Base-Base interactions energy: -134.013 where: short stacking energy: -65.559 Base-Backbone interact. energy: -1.458 local terms energy: -69.347113 where: bonds (distance) C4'-P energy: -13.477 bonds (distance) P-C4' energy: -16.296 flat angles C4'-P-C4' energy: -13.137 flat angles P-C4'-P energy: -7.246 tors. eta vs tors. theta energy: -19.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -211.362773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.362773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.362773 (E_RNA) where: Base-Base interactions energy: -142.457 where: short stacking energy: -65.807 Base-Backbone interact. energy: -0.840 local terms energy: -68.065783 where: bonds (distance) C4'-P energy: -11.914 bonds (distance) P-C4' energy: -15.684 flat angles C4'-P-C4' energy: -11.429 flat angles P-C4'-P energy: -12.332 tors. eta vs tors. theta energy: -16.708 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: 7 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -194.836210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.836210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.836210 (E_RNA) where: Base-Base interactions energy: -128.059 where: short stacking energy: -47.602 Base-Backbone interact. energy: -0.237 local terms energy: -66.539721 where: bonds (distance) C4'-P energy: -15.670 bonds (distance) P-C4' energy: -15.723 flat angles C4'-P-C4' energy: -14.912 flat angles P-C4'-P energy: -9.300 tors. eta vs tors. theta energy: -10.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -186.752172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.752172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.752172 (E_RNA) where: Base-Base interactions energy: -124.062 where: short stacking energy: -53.416 Base-Backbone interact. energy: -0.010 local terms energy: -62.679969 where: bonds (distance) C4'-P energy: -13.734 bonds (distance) P-C4' energy: -13.986 flat angles C4'-P-C4' energy: -10.909 flat angles P-C4'-P energy: -9.777 tors. eta vs tors. theta energy: -14.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -174.781301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.781301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.781301 (E_RNA) where: Base-Base interactions energy: -120.475 where: short stacking energy: -48.536 Base-Backbone interact. energy: -0.050 local terms energy: -54.256852 where: bonds (distance) C4'-P energy: -12.514 bonds (distance) P-C4' energy: -12.007 flat angles C4'-P-C4' energy: -14.877 flat angles P-C4'-P energy: -5.133 tors. eta vs tors. theta energy: -9.725 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: 8 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -167.056480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.056480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.056480 (E_RNA) where: Base-Base interactions energy: -113.046 where: short stacking energy: -43.229 Base-Backbone interact. energy: -0.077 local terms energy: -53.933611 where: bonds (distance) C4'-P energy: -9.213 bonds (distance) P-C4' energy: -7.418 flat angles C4'-P-C4' energy: -15.609 flat angles P-C4'-P energy: -4.649 tors. eta vs tors. theta energy: -17.044 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: 10 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -159.485209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.485209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.485209 (E_RNA) where: Base-Base interactions energy: -102.399 where: short stacking energy: -40.380 Base-Backbone interact. energy: -0.705 local terms energy: -56.381197 where: bonds (distance) C4'-P energy: -11.984 bonds (distance) P-C4' energy: -14.358 flat angles C4'-P-C4' energy: -12.591 flat angles P-C4'-P energy: -10.929 tors. eta vs tors. theta energy: -6.519 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: 6 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -89.005122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.005122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.005122 (E_RNA) where: Base-Base interactions energy: -40.625 where: short stacking energy: -34.428 Base-Backbone interact. energy: -0.028 local terms energy: -48.352703 where: bonds (distance) C4'-P energy: -13.490 bonds (distance) P-C4' energy: -8.002 flat angles C4'-P-C4' energy: -12.155 flat angles P-C4'-P energy: -4.988 tors. eta vs tors. theta energy: -9.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -72.840607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.840607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.840607 (E_RNA) where: Base-Base interactions energy: -31.535 where: short stacking energy: -18.746 Base-Backbone interact. energy: 4.103 local terms energy: -45.408735 where: bonds (distance) C4'-P energy: -15.370 bonds (distance) P-C4' energy: -14.380 flat angles C4'-P-C4' energy: -6.342 flat angles P-C4'-P energy: -4.775 tors. eta vs tors. theta energy: -4.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -211.306389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.306389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.306389 (E_RNA) where: Base-Base interactions energy: -133.567 where: short stacking energy: -68.815 Base-Backbone interact. energy: -0.005 local terms energy: -77.734063 where: bonds (distance) C4'-P energy: -16.422 bonds (distance) P-C4' energy: -14.998 flat angles C4'-P-C4' energy: -15.904 flat angles P-C4'-P energy: -10.229 tors. eta vs tors. theta energy: -20.181 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: 1 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -209.511364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.511364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.511364 (E_RNA) where: Base-Base interactions energy: -138.485 where: short stacking energy: -63.608 Base-Backbone interact. energy: -0.270 local terms energy: -70.756966 where: bonds (distance) C4'-P energy: -15.548 bonds (distance) P-C4' energy: -11.710 flat angles C4'-P-C4' energy: -16.363 flat angles P-C4'-P energy: -8.567 tors. eta vs tors. theta energy: -18.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -210.773988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.773988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.773988 (E_RNA) where: Base-Base interactions energy: -132.633 where: short stacking energy: -64.369 Base-Backbone interact. energy: -0.431 local terms energy: -77.710441 where: bonds (distance) C4'-P energy: -15.324 bonds (distance) P-C4' energy: -14.640 flat angles C4'-P-C4' energy: -17.095 flat angles P-C4'-P energy: -12.005 tors. eta vs tors. theta energy: -18.646 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: 69 Temperature: 1.050000 Total energy: -186.675418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.675418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.675418 (E_RNA) where: Base-Base interactions energy: -126.015 where: short stacking energy: -53.626 Base-Backbone interact. energy: -0.522 local terms energy: -60.138089 where: bonds (distance) C4'-P energy: -10.651 bonds (distance) P-C4' energy: -15.628 flat angles C4'-P-C4' energy: -14.164 flat angles P-C4'-P energy: -5.737 tors. eta vs tors. theta energy: -13.959 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: 7 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -172.316121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.316121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.316121 (E_RNA) where: Base-Base interactions energy: -118.718 where: short stacking energy: -51.594 Base-Backbone interact. energy: -0.125 local terms energy: -53.473397 where: bonds (distance) C4'-P energy: -16.037 bonds (distance) P-C4' energy: -12.613 flat angles C4'-P-C4' energy: -12.117 flat angles P-C4'-P energy: -4.251 tors. eta vs tors. theta energy: -8.455 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: 6, replica: 8 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -176.966158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.966158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.966158 (E_RNA) where: Base-Base interactions energy: -114.522 where: short stacking energy: -56.842 Base-Backbone interact. energy: 1.854 local terms energy: -64.298424 where: bonds (distance) C4'-P energy: -13.611 bonds (distance) P-C4' energy: -13.303 flat angles C4'-P-C4' energy: -12.984 flat angles P-C4'-P energy: -8.791 tors. eta vs tors. theta energy: -15.611 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: 5 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -151.857030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.857030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.857030 (E_RNA) where: Base-Base interactions energy: -98.714 where: short stacking energy: -38.094 Base-Backbone interact. energy: -0.007 local terms energy: -53.136554 where: bonds (distance) C4'-P energy: -10.229 bonds (distance) P-C4' energy: -13.870 flat angles C4'-P-C4' energy: -13.827 flat angles P-C4'-P energy: -3.858 tors. eta vs tors. theta energy: -11.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -158.511944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.511944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.511944 (E_RNA) where: Base-Base interactions energy: -105.246 where: short stacking energy: -38.184 Base-Backbone interact. energy: -0.086 local terms energy: -53.180181 where: bonds (distance) C4'-P energy: -13.623 bonds (distance) P-C4' energy: -13.334 flat angles C4'-P-C4' energy: -8.775 flat angles P-C4'-P energy: -3.597 tors. eta vs tors. theta energy: -13.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -88.617566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.617566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.617566 (E_RNA) where: Base-Base interactions energy: -30.543 where: short stacking energy: -30.543 Base-Backbone interact. energy: -1.317 local terms energy: -56.757463 where: bonds (distance) C4'-P energy: -11.723 bonds (distance) P-C4' energy: -15.054 flat angles C4'-P-C4' energy: -13.077 flat angles P-C4'-P energy: -11.596 tors. eta vs tors. theta energy: -5.307 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: 9 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -116.191539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.191539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.191539 (E_RNA) where: Base-Base interactions energy: -64.210 where: short stacking energy: -23.337 Base-Backbone interact. energy: -0.457 local terms energy: -51.523646 where: bonds (distance) C4'-P energy: -15.205 bonds (distance) P-C4' energy: -11.833 flat angles C4'-P-C4' energy: -14.582 flat angles P-C4'-P energy: -4.069 tors. eta vs tors. theta energy: -5.835 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: 3 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -214.757410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.757410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.757410 (E_RNA) where: Base-Base interactions energy: -139.287 where: short stacking energy: -71.215 Base-Backbone interact. energy: -0.032 local terms energy: -75.438298 where: bonds (distance) C4'-P energy: -14.759 bonds (distance) P-C4' energy: -14.293 flat angles C4'-P-C4' energy: -15.462 flat angles P-C4'-P energy: -11.118 tors. eta vs tors. theta energy: -19.807 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: 1 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -215.386927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.386927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.386927 (E_RNA) where: Base-Base interactions energy: -143.484 where: short stacking energy: -74.759 Base-Backbone interact. energy: -0.005 local terms energy: -71.898295 where: bonds (distance) C4'-P energy: -13.291 bonds (distance) P-C4' energy: -14.400 flat angles C4'-P-C4' energy: -15.805 flat angles P-C4'-P energy: -10.325 tors. eta vs tors. theta energy: -18.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -188.130107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.130107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.130107 (E_RNA) where: Base-Base interactions energy: -127.377 where: short stacking energy: -49.076 Base-Backbone interact. energy: -0.366 local terms energy: -60.387300 where: bonds (distance) C4'-P energy: -13.839 bonds (distance) P-C4' energy: -13.429 flat angles C4'-P-C4' energy: -16.360 flat angles P-C4'-P energy: -10.359 tors. eta vs tors. theta energy: -6.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -198.033546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.033546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.033546 (E_RNA) where: Base-Base interactions energy: -132.287 where: short stacking energy: -65.673 Base-Backbone interact. energy: 0.089 local terms energy: -65.834929 where: bonds (distance) C4'-P energy: -13.653 bonds (distance) P-C4' energy: -8.875 flat angles C4'-P-C4' energy: -15.388 flat angles P-C4'-P energy: -10.602 tors. eta vs tors. theta energy: -17.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -188.563337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.563337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.563337 (E_RNA) where: Base-Base interactions energy: -128.840 where: short stacking energy: -49.313 Base-Backbone interact. energy: -0.019 local terms energy: -59.704673 where: bonds (distance) C4'-P energy: -18.082 bonds (distance) P-C4' energy: -12.931 flat angles C4'-P-C4' energy: -8.567 flat angles P-C4'-P energy: -9.904 tors. eta vs tors. theta energy: -10.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -176.092269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.092269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.092269 (E_RNA) where: Base-Base interactions energy: -118.009 where: short stacking energy: -57.455 Base-Backbone interact. energy: -0.156 local terms energy: -57.927487 where: bonds (distance) C4'-P energy: -12.161 bonds (distance) P-C4' energy: -11.701 flat angles C4'-P-C4' energy: -15.469 flat angles P-C4'-P energy: -9.565 tors. eta vs tors. theta energy: -9.032 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: 10 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -160.482439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.482439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.482439 (E_RNA) where: Base-Base interactions energy: -98.120 where: short stacking energy: -43.983 Base-Backbone interact. energy: -0.030 local terms energy: -62.332793 where: bonds (distance) C4'-P energy: -13.748 bonds (distance) P-C4' energy: -15.535 flat angles C4'-P-C4' energy: -10.202 flat angles P-C4'-P energy: -10.547 tors. eta vs tors. theta energy: -12.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -180.491880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.491880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.491880 (E_RNA) where: Base-Base interactions energy: -120.021 where: short stacking energy: -48.890 Base-Backbone interact. energy: -0.098 local terms energy: -60.372309 where: bonds (distance) C4'-P energy: -15.789 bonds (distance) P-C4' energy: -14.801 flat angles C4'-P-C4' energy: -10.128 flat angles P-C4'-P energy: -8.800 tors. eta vs tors. theta energy: -10.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -72.761110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.761110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.761110 (E_RNA) where: Base-Base interactions energy: -27.595 where: short stacking energy: -17.810 Base-Backbone interact. energy: -0.448 local terms energy: -44.718561 where: bonds (distance) C4'-P energy: -9.877 bonds (distance) P-C4' energy: -14.734 flat angles C4'-P-C4' energy: -14.170 flat angles P-C4'-P energy: -5.722 tors. eta vs tors. theta energy: -0.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -75.435395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.435395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.435395 (E_RNA) where: Base-Base interactions energy: -33.305 where: short stacking energy: -23.708 Base-Backbone interact. energy: 0.240 local terms energy: -42.370501 where: bonds (distance) C4'-P energy: -12.622 bonds (distance) P-C4' energy: -12.405 flat angles C4'-P-C4' energy: -10.854 flat angles P-C4'-P energy: -11.072 tors. eta vs tors. theta energy: 4.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -215.455992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.455992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.455992 (E_RNA) where: Base-Base interactions energy: -136.853 where: short stacking energy: -66.655 Base-Backbone interact. energy: -0.712 local terms energy: -77.890211 where: bonds (distance) C4'-P energy: -14.919 bonds (distance) P-C4' energy: -15.018 flat angles C4'-P-C4' energy: -16.111 flat angles P-C4'-P energy: -13.981 tors. eta vs tors. theta energy: -17.861 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: 1 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -217.835424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.835424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.835424 (E_RNA) where: Base-Base interactions energy: -143.065 where: short stacking energy: -69.092 Base-Backbone interact. energy: -0.316 local terms energy: -74.454598 where: bonds (distance) C4'-P energy: -12.589 bonds (distance) P-C4' energy: -17.091 flat angles C4'-P-C4' energy: -15.052 flat angles P-C4'-P energy: -10.381 tors. eta vs tors. theta energy: -19.342 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: 4 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -197.303606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.303606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.303606 (E_RNA) where: Base-Base interactions energy: -124.381 where: short stacking energy: -67.507 Base-Backbone interact. energy: 1.003 local terms energy: -73.925677 where: bonds (distance) C4'-P energy: -14.705 bonds (distance) P-C4' energy: -13.926 flat angles C4'-P-C4' energy: -15.616 flat angles P-C4'-P energy: -13.994 tors. eta vs tors. theta energy: -15.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -190.903193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.903193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.903193 (E_RNA) where: Base-Base interactions energy: -128.047 where: short stacking energy: -54.813 Base-Backbone interact. energy: 1.410 local terms energy: -64.265894 where: bonds (distance) C4'-P energy: -13.714 bonds (distance) P-C4' energy: -15.113 flat angles C4'-P-C4' energy: -15.033 flat angles P-C4'-P energy: -4.284 tors. eta vs tors. theta energy: -16.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -192.575061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.575061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.575061 (E_RNA) where: Base-Base interactions energy: -123.342 where: short stacking energy: -59.161 Base-Backbone interact. energy: -0.025 local terms energy: -69.207508 where: bonds (distance) C4'-P energy: -14.596 bonds (distance) P-C4' energy: -14.362 flat angles C4'-P-C4' energy: -14.985 flat angles P-C4'-P energy: -7.360 tors. eta vs tors. theta energy: -17.905 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: 10 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -179.063719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.063719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.063719 (E_RNA) where: Base-Base interactions energy: -120.217 where: short stacking energy: -46.477 Base-Backbone interact. energy: -0.423 local terms energy: -58.423586 where: bonds (distance) C4'-P energy: -11.910 bonds (distance) P-C4' energy: -12.453 flat angles C4'-P-C4' energy: -16.336 flat angles P-C4'-P energy: -9.922 tors. eta vs tors. theta energy: -7.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -167.802229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.802229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.802229 (E_RNA) where: Base-Base interactions energy: -116.400 where: short stacking energy: -46.601 Base-Backbone interact. energy: 1.136 local terms energy: -52.538304 where: bonds (distance) C4'-P energy: -12.378 bonds (distance) P-C4' energy: -11.168 flat angles C4'-P-C4' energy: -12.619 flat angles P-C4'-P energy: -6.757 tors. eta vs tors. theta energy: -9.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -156.348818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.348818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.348818 (E_RNA) where: Base-Base interactions energy: -101.102 where: short stacking energy: -49.810 Base-Backbone interact. energy: 0.099 local terms energy: -55.346398 where: bonds (distance) C4'-P energy: -6.395 bonds (distance) P-C4' energy: -14.143 flat angles C4'-P-C4' energy: -15.799 flat angles P-C4'-P energy: -6.842 tors. eta vs tors. theta energy: -12.167 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: 9, replica: 9 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -83.790832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.790832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.790832 (E_RNA) where: Base-Base interactions energy: -32.316 where: short stacking energy: -31.218 Base-Backbone interact. energy: -0.269 local terms energy: -51.206570 where: bonds (distance) C4'-P energy: -13.344 bonds (distance) P-C4' energy: -13.002 flat angles C4'-P-C4' energy: -14.341 flat angles P-C4'-P energy: -7.723 tors. eta vs tors. theta energy: -2.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -86.904926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.904926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.904926 (E_RNA) where: Base-Base interactions energy: -41.471 where: short stacking energy: -20.180 Base-Backbone interact. energy: -0.413 local terms energy: -45.021014 where: bonds (distance) C4'-P energy: -12.460 bonds (distance) P-C4' energy: -14.694 flat angles C4'-P-C4' energy: -9.636 flat angles P-C4'-P energy: -11.155 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: 1, replica: 3 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -212.765178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.765178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.765178 (E_RNA) where: Base-Base interactions energy: -134.638 where: short stacking energy: -63.512 Base-Backbone interact. energy: -0.036 local terms energy: -78.091118 where: bonds (distance) C4'-P energy: -15.119 bonds (distance) P-C4' energy: -15.247 flat angles C4'-P-C4' energy: -14.199 flat angles P-C4'-P energy: -10.942 tors. eta vs tors. theta energy: -22.584 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: 1 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -215.889344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.889344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.889344 (E_RNA) where: Base-Base interactions energy: -149.937 where: short stacking energy: -71.196 Base-Backbone interact. energy: -0.168 local terms energy: -65.784293 where: bonds (distance) C4'-P energy: -12.722 bonds (distance) P-C4' energy: -13.759 flat angles C4'-P-C4' energy: -15.524 flat angles P-C4'-P energy: -4.732 tors. eta vs tors. theta energy: -19.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -208.307630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.307630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.307630 (E_RNA) where: Base-Base interactions energy: -140.978 where: short stacking energy: -61.948 Base-Backbone interact. energy: -0.725 local terms energy: -66.605125 where: bonds (distance) C4'-P energy: -12.788 bonds (distance) P-C4' energy: -15.858 flat angles C4'-P-C4' energy: -13.561 flat angles P-C4'-P energy: -9.694 tors. eta vs tors. theta energy: -14.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -198.960771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.960771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.960771 (E_RNA) where: Base-Base interactions energy: -127.344 where: short stacking energy: -56.135 Base-Backbone interact. energy: -0.093 local terms energy: -71.524073 where: bonds (distance) C4'-P energy: -14.795 bonds (distance) P-C4' energy: -15.149 flat angles C4'-P-C4' energy: -14.317 flat angles P-C4'-P energy: -11.551 tors. eta vs tors. theta energy: -15.712 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: 5, replica: 10 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -181.758302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.758302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.758302 (E_RNA) where: Base-Base interactions energy: -122.500 where: short stacking energy: -53.971 Base-Backbone interact. energy: 5.509 local terms energy: -64.767265 where: bonds (distance) C4'-P energy: -14.393 bonds (distance) P-C4' energy: -15.368 flat angles C4'-P-C4' energy: -13.728 flat angles P-C4'-P energy: -9.623 tors. eta vs tors. theta energy: -11.655 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: 2 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -184.682158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.682158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.682158 (E_RNA) where: Base-Base interactions energy: -123.535 where: short stacking energy: -55.861 Base-Backbone interact. energy: 0.407 local terms energy: -61.554498 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -16.865 flat angles C4'-P-C4' energy: -13.088 flat angles P-C4'-P energy: -9.063 tors. eta vs tors. theta energy: -14.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -175.745850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.745850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.745850 (E_RNA) where: Base-Base interactions energy: -120.446 where: short stacking energy: -52.575 Base-Backbone interact. energy: -0.251 local terms energy: -55.049300 where: bonds (distance) C4'-P energy: -14.982 bonds (distance) P-C4' energy: -15.487 flat angles C4'-P-C4' energy: -14.525 flat angles P-C4'-P energy: -3.928 tors. eta vs tors. theta energy: -6.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -85.893002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.893002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.893002 (E_RNA) where: Base-Base interactions energy: -44.979 where: short stacking energy: -21.081 Base-Backbone interact. energy: -0.015 local terms energy: -40.898693 where: bonds (distance) C4'-P energy: -8.249 bonds (distance) P-C4' energy: -17.048 flat angles C4'-P-C4' energy: -13.556 flat angles P-C4'-P energy: -6.194 tors. eta vs tors. theta energy: 4.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -74.186855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.186855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.186855 (E_RNA) where: Base-Base interactions energy: -27.649 where: short stacking energy: -20.435 Base-Backbone interact. energy: -0.334 local terms energy: -46.204511 where: bonds (distance) C4'-P energy: -13.003 bonds (distance) P-C4' energy: -10.838 flat angles C4'-P-C4' energy: -15.308 flat angles P-C4'-P energy: -8.400 tors. eta vs tors. theta energy: 1.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -87.870964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.870964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.870964 (E_RNA) where: Base-Base interactions energy: -37.965 where: short stacking energy: -37.965 Base-Backbone interact. energy: -0.100 local terms energy: -49.806094 where: bonds (distance) C4'-P energy: -11.748 bonds (distance) P-C4' energy: -12.958 flat angles C4'-P-C4' energy: -13.692 flat angles P-C4'-P energy: -0.750 tors. eta vs tors. theta energy: -10.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -214.948335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.948335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.948335 (E_RNA) where: Base-Base interactions energy: -140.522 where: short stacking energy: -70.153 Base-Backbone interact. energy: -0.490 local terms energy: -73.936022 where: bonds (distance) C4'-P energy: -13.753 bonds (distance) P-C4' energy: -15.433 flat angles C4'-P-C4' energy: -17.404 flat angles P-C4'-P energy: -9.473 tors. eta vs tors. theta energy: -17.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -217.510712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.510712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.510712 (E_RNA) where: Base-Base interactions energy: -145.266 where: short stacking energy: -73.997 Base-Backbone interact. energy: -0.004 local terms energy: -72.240575 where: bonds (distance) C4'-P energy: -14.650 bonds (distance) P-C4' energy: -13.493 flat angles C4'-P-C4' energy: -11.223 flat angles P-C4'-P energy: -13.391 tors. eta vs tors. theta energy: -19.483 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: 4 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -197.866164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.866164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.866164 (E_RNA) where: Base-Base interactions energy: -137.022 where: short stacking energy: -54.798 Base-Backbone interact. energy: -1.237 local terms energy: -59.607298 where: bonds (distance) C4'-P energy: -11.830 bonds (distance) P-C4' energy: -10.761 flat angles C4'-P-C4' energy: -8.824 flat angles P-C4'-P energy: -11.745 tors. eta vs tors. theta energy: -16.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -190.240781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.240781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.240781 (E_RNA) where: Base-Base interactions energy: -124.638 where: short stacking energy: -61.509 Base-Backbone interact. energy: -0.047 local terms energy: -65.556515 where: bonds (distance) C4'-P energy: -11.582 bonds (distance) P-C4' energy: -14.176 flat angles C4'-P-C4' energy: -13.953 flat angles P-C4'-P energy: -10.263 tors. eta vs tors. theta energy: -15.583 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: 5, replica: 8 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -186.019628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.019628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.019628 (E_RNA) where: Base-Base interactions energy: -127.780 where: short stacking energy: -59.758 Base-Backbone interact. energy: -0.116 local terms energy: -58.123234 where: bonds (distance) C4'-P energy: -12.307 bonds (distance) P-C4' energy: -12.766 flat angles C4'-P-C4' energy: -12.229 flat angles P-C4'-P energy: -6.706 tors. eta vs tors. theta energy: -14.115 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: 7 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -183.392399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.392399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.392399 (E_RNA) where: Base-Base interactions energy: -122.324 where: short stacking energy: -53.132 Base-Backbone interact. energy: -0.425 local terms energy: -60.643261 where: bonds (distance) C4'-P energy: -14.815 bonds (distance) P-C4' energy: -12.254 flat angles C4'-P-C4' energy: -13.031 flat angles P-C4'-P energy: -8.710 tors. eta vs tors. theta energy: -11.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -202.143223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.143223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.143223 (E_RNA) where: Base-Base interactions energy: -132.245 where: short stacking energy: -70.479 Base-Backbone interact. energy: -0.001 local terms energy: -69.897157 where: bonds (distance) C4'-P energy: -14.813 bonds (distance) P-C4' energy: -11.034 flat angles C4'-P-C4' energy: -15.294 flat angles P-C4'-P energy: -11.227 tors. eta vs tors. theta energy: -17.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -96.114913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.114913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.114913 (E_RNA) where: Base-Base interactions energy: -38.480 where: short stacking energy: -33.210 Base-Backbone interact. energy: -0.193 local terms energy: -57.442080 where: bonds (distance) C4'-P energy: -14.778 bonds (distance) P-C4' energy: -16.801 flat angles C4'-P-C4' energy: -13.135 flat angles P-C4'-P energy: -8.862 tors. eta vs tors. theta energy: -3.866 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: 9, replica: 5 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -78.931602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.931602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.931602 (E_RNA) where: Base-Base interactions energy: -29.070 where: short stacking energy: -22.673 Base-Backbone interact. energy: 0.674 local terms energy: -50.535463 where: bonds (distance) C4'-P energy: -9.044 bonds (distance) P-C4' energy: -14.578 flat angles C4'-P-C4' energy: -11.559 flat angles P-C4'-P energy: -11.998 tors. eta vs tors. theta energy: -3.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -67.903139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.903139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.903139 (E_RNA) where: Base-Base interactions energy: -26.549 where: short stacking energy: -21.604 Base-Backbone interact. energy: -0.165 local terms energy: -41.189656 where: bonds (distance) C4'-P energy: -15.417 bonds (distance) P-C4' energy: -6.657 flat angles C4'-P-C4' energy: -11.132 flat angles P-C4'-P energy: -4.985 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: 1, replica: 1 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -218.843683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.843683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.843683 (E_RNA) where: Base-Base interactions energy: -145.006 where: short stacking energy: -67.141 Base-Backbone interact. energy: -0.000 local terms energy: -73.837044 where: bonds (distance) C4'-P energy: -15.864 bonds (distance) P-C4' energy: -11.865 flat angles C4'-P-C4' energy: -15.494 flat angles P-C4'-P energy: -12.705 tors. eta vs tors. theta energy: -17.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -207.109198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.109198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.109198 (E_RNA) where: Base-Base interactions energy: -130.991 where: short stacking energy: -63.372 Base-Backbone interact. energy: -0.918 local terms energy: -75.200197 where: bonds (distance) C4'-P energy: -15.524 bonds (distance) P-C4' energy: -12.401 flat angles C4'-P-C4' energy: -17.361 flat angles P-C4'-P energy: -13.390 tors. eta vs tors. theta energy: -16.524 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: 10 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -200.829187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.829187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.829187 (E_RNA) where: Base-Base interactions energy: -126.738 where: short stacking energy: -52.580 Base-Backbone interact. energy: -0.432 local terms energy: -73.659288 where: bonds (distance) C4'-P energy: -14.424 bonds (distance) P-C4' energy: -17.016 flat angles C4'-P-C4' energy: -16.692 flat angles P-C4'-P energy: -9.714 tors. eta vs tors. theta energy: -15.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -186.305986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.305986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.305986 (E_RNA) where: Base-Base interactions energy: -121.412 where: short stacking energy: -58.056 Base-Backbone interact. energy: -0.748 local terms energy: -64.146068 where: bonds (distance) C4'-P energy: -11.368 bonds (distance) P-C4' energy: -13.913 flat angles C4'-P-C4' energy: -16.533 flat angles P-C4'-P energy: -6.056 tors. eta vs tors. theta energy: -16.277 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: 7 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -187.027591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.027591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.027591 (E_RNA) where: Base-Base interactions energy: -123.209 where: short stacking energy: -56.654 Base-Backbone interact. energy: 3.780 local terms energy: -67.599395 where: bonds (distance) C4'-P energy: -15.014 bonds (distance) P-C4' energy: -16.256 flat angles C4'-P-C4' energy: -14.291 flat angles P-C4'-P energy: -11.135 tors. eta vs tors. theta energy: -10.903 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: 8 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -159.475464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.475464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.475464 (E_RNA) where: Base-Base interactions energy: -111.201 where: short stacking energy: -52.396 Base-Backbone interact. energy: -0.091 local terms energy: -48.183608 where: bonds (distance) C4'-P energy: -4.474 bonds (distance) P-C4' energy: -15.769 flat angles C4'-P-C4' energy: -11.674 flat angles P-C4'-P energy: -4.473 tors. eta vs tors. theta energy: -11.794 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: 2 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -190.826226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.826226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.826226 (E_RNA) where: Base-Base interactions energy: -128.655 where: short stacking energy: -55.656 Base-Backbone interact. energy: -0.029 local terms energy: -62.142217 where: bonds (distance) C4'-P energy: -15.549 bonds (distance) P-C4' energy: -16.134 flat angles C4'-P-C4' energy: -7.798 flat angles P-C4'-P energy: -9.696 tors. eta vs tors. theta energy: -12.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -149.556512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.556512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.556512 (E_RNA) where: Base-Base interactions energy: -95.718 where: short stacking energy: -41.368 Base-Backbone interact. energy: -0.387 local terms energy: -53.451866 where: bonds (distance) C4'-P energy: -9.571 bonds (distance) P-C4' energy: -15.122 flat angles C4'-P-C4' energy: -14.416 flat angles P-C4'-P energy: -8.224 tors. eta vs tors. theta energy: -6.120 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: 74 Temperature: 1.300000 Total energy: -84.635839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.635839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.635839 (E_RNA) where: Base-Base interactions energy: -28.562 where: short stacking energy: -26.762 Base-Backbone interact. energy: -0.149 local terms energy: -55.924783 where: bonds (distance) C4'-P energy: -14.341 bonds (distance) P-C4' energy: -12.350 flat angles C4'-P-C4' energy: -13.851 flat angles P-C4'-P energy: -10.075 tors. eta vs tors. theta energy: -5.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -80.109509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.109509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.109509 (E_RNA) where: Base-Base interactions energy: -32.076 where: short stacking energy: -31.090 Base-Backbone interact. energy: -0.008 local terms energy: -48.025341 where: bonds (distance) C4'-P energy: -9.773 bonds (distance) P-C4' energy: -11.271 flat angles C4'-P-C4' energy: -12.522 flat angles P-C4'-P energy: -8.888 tors. eta vs tors. theta energy: -5.572 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: 1, replica: 1 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -215.956035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.956035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.956035 (E_RNA) where: Base-Base interactions energy: -143.873 where: short stacking energy: -68.309 Base-Backbone interact. energy: -0.301 local terms energy: -71.781889 where: bonds (distance) C4'-P energy: -15.814 bonds (distance) P-C4' energy: -14.029 flat angles C4'-P-C4' energy: -13.789 flat angles P-C4'-P energy: -12.321 tors. eta vs tors. theta energy: -15.829 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: 2, replica: 10 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -206.639696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.639696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.639696 (E_RNA) where: Base-Base interactions energy: -134.202 where: short stacking energy: -66.048 Base-Backbone interact. energy: -0.715 local terms energy: -71.723070 where: bonds (distance) C4'-P energy: -11.897 bonds (distance) P-C4' energy: -13.778 flat angles C4'-P-C4' energy: -16.230 flat angles P-C4'-P energy: -10.765 tors. eta vs tors. theta energy: -19.052 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: 3 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -209.777569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.777569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.777569 (E_RNA) where: Base-Base interactions energy: -145.994 where: short stacking energy: -66.511 Base-Backbone interact. energy: -0.723 local terms energy: -63.060605 where: bonds (distance) C4'-P energy: -15.817 bonds (distance) P-C4' energy: -11.178 flat angles C4'-P-C4' energy: -14.890 flat angles P-C4'-P energy: -7.998 tors. eta vs tors. theta energy: -13.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -188.820380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.820380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.820380 (E_RNA) where: Base-Base interactions energy: -116.338 where: short stacking energy: -56.100 Base-Backbone interact. energy: -0.309 local terms energy: -72.174323 where: bonds (distance) C4'-P energy: -12.938 bonds (distance) P-C4' energy: -16.467 flat angles C4'-P-C4' energy: -13.860 flat angles P-C4'-P energy: -12.130 tors. eta vs tors. theta energy: -16.780 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: 4 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -190.481131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.481131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.481131 (E_RNA) where: Base-Base interactions energy: -135.350 where: short stacking energy: -57.074 Base-Backbone interact. energy: -0.338 local terms energy: -54.793107 where: bonds (distance) C4'-P energy: -8.274 bonds (distance) P-C4' energy: -9.879 flat angles C4'-P-C4' energy: -13.170 flat angles P-C4'-P energy: -6.596 tors. eta vs tors. theta energy: -16.874 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: 2 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -202.511093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.511093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.511093 (E_RNA) where: Base-Base interactions energy: -137.673 where: short stacking energy: -62.833 Base-Backbone interact. energy: -0.146 local terms energy: -64.691934 where: bonds (distance) C4'-P energy: -13.244 bonds (distance) P-C4' energy: -13.379 flat angles C4'-P-C4' energy: -12.870 flat angles P-C4'-P energy: -9.574 tors. eta vs tors. theta energy: -15.625 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: 7, replica: 8 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -175.464083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.464083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.464083 (E_RNA) where: Base-Base interactions energy: -120.125 where: short stacking energy: -44.053 Base-Backbone interact. energy: 0.089 local terms energy: -55.428074 where: bonds (distance) C4'-P energy: -16.070 bonds (distance) P-C4' energy: -8.461 flat angles C4'-P-C4' energy: -11.477 flat angles P-C4'-P energy: -4.442 tors. eta vs tors. theta energy: -14.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -179.170542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.170542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.170542 (E_RNA) where: Base-Base interactions energy: -123.983 where: short stacking energy: -49.271 Base-Backbone interact. energy: -0.024 local terms energy: -55.164074 where: bonds (distance) C4'-P energy: -12.236 bonds (distance) P-C4' energy: -11.675 flat angles C4'-P-C4' energy: -13.191 flat angles P-C4'-P energy: -4.817 tors. eta vs tors. theta energy: -13.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -129.602003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.602003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.602003 (E_RNA) where: Base-Base interactions energy: -77.459 where: short stacking energy: -33.716 Base-Backbone interact. energy: -0.220 local terms energy: -51.923303 where: bonds (distance) C4'-P energy: -11.715 bonds (distance) P-C4' energy: -16.288 flat angles C4'-P-C4' energy: -12.673 flat angles P-C4'-P energy: -8.735 tors. eta vs tors. theta energy: -2.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -73.056214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.056214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.056214 (E_RNA) where: Base-Base interactions energy: -27.191 where: short stacking energy: -20.624 Base-Backbone interact. energy: -0.343 local terms energy: -45.521479 where: bonds (distance) C4'-P energy: -13.901 bonds (distance) P-C4' energy: -14.420 flat angles C4'-P-C4' energy: -5.595 flat angles P-C4'-P energy: -8.962 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: 1, replica: 1 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -215.514518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.514518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.514518 (E_RNA) where: Base-Base interactions energy: -147.107 where: short stacking energy: -65.334 Base-Backbone interact. energy: -1.002 local terms energy: -67.405775 where: bonds (distance) C4'-P energy: -11.218 bonds (distance) P-C4' energy: -13.340 flat angles C4'-P-C4' energy: -15.406 flat angles P-C4'-P energy: -10.517 tors. eta vs tors. theta energy: -16.925 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: 2, replica: 10 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -206.187108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.187108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.187108 (E_RNA) where: Base-Base interactions energy: -137.483 where: short stacking energy: -67.047 Base-Backbone interact. energy: -0.002 local terms energy: -68.702052 where: bonds (distance) C4'-P energy: -12.314 bonds (distance) P-C4' energy: -13.252 flat angles C4'-P-C4' energy: -17.117 flat angles P-C4'-P energy: -8.493 tors. eta vs tors. theta energy: -17.526 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: 3 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -209.705879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.705879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.705879 (E_RNA) where: Base-Base interactions energy: -133.884 where: short stacking energy: -64.750 Base-Backbone interact. energy: -0.177 local terms energy: -75.644672 where: bonds (distance) C4'-P energy: -15.005 bonds (distance) P-C4' energy: -15.953 flat angles C4'-P-C4' energy: -16.154 flat angles P-C4'-P energy: -8.040 tors. eta vs tors. theta energy: -20.493 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: 7 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -179.417185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.417185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.417185 (E_RNA) where: Base-Base interactions energy: -121.459 where: short stacking energy: -52.047 Base-Backbone interact. energy: -0.075 local terms energy: -57.883414 where: bonds (distance) C4'-P energy: -12.386 bonds (distance) P-C4' energy: -16.806 flat angles C4'-P-C4' energy: -12.057 flat angles P-C4'-P energy: -8.604 tors. eta vs tors. theta energy: -8.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -193.804639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.804639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.804639 (E_RNA) where: Base-Base interactions energy: -126.484 where: short stacking energy: -56.250 Base-Backbone interact. energy: -0.593 local terms energy: -66.727668 where: bonds (distance) C4'-P energy: -16.745 bonds (distance) P-C4' energy: -13.203 flat angles C4'-P-C4' energy: -15.293 flat angles P-C4'-P energy: -5.258 tors. eta vs tors. theta energy: -16.228 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: 6, replica: 2 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -199.344899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.344899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.344899 (E_RNA) where: Base-Base interactions energy: -131.870 where: short stacking energy: -61.408 Base-Backbone interact. energy: -0.246 local terms energy: -67.228990 where: bonds (distance) C4'-P energy: -10.270 bonds (distance) P-C4' energy: -15.548 flat angles C4'-P-C4' energy: -17.409 flat angles P-C4'-P energy: -8.961 tors. eta vs tors. theta energy: -15.042 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: 9 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -185.561153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.561153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.561153 (E_RNA) where: Base-Base interactions energy: -123.272 where: short stacking energy: -51.740 Base-Backbone interact. energy: -0.871 local terms energy: -61.417955 where: bonds (distance) C4'-P energy: -14.733 bonds (distance) P-C4' energy: -14.230 flat angles C4'-P-C4' energy: -12.722 flat angles P-C4'-P energy: -5.623 tors. eta vs tors. theta energy: -14.110 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: 8 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -161.807536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.807536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.807536 (E_RNA) where: Base-Base interactions energy: -103.440 where: short stacking energy: -43.092 Base-Backbone interact. energy: -0.580 local terms energy: -57.786945 where: bonds (distance) C4'-P energy: -11.523 bonds (distance) P-C4' energy: -15.048 flat angles C4'-P-C4' energy: -14.524 flat angles P-C4'-P energy: -5.100 tors. eta vs tors. theta energy: -11.592 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: 6 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -140.397731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.397731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.397731 (E_RNA) where: Base-Base interactions energy: -86.347 where: short stacking energy: -37.182 Base-Backbone interact. energy: 0.461 local terms energy: -54.511470 where: bonds (distance) C4'-P energy: -11.536 bonds (distance) P-C4' energy: -15.376 flat angles C4'-P-C4' energy: -12.440 flat angles P-C4'-P energy: -8.241 tors. eta vs tors. theta energy: -6.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -75.873396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.873396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.873396 (E_RNA) where: Base-Base interactions energy: -26.934 where: short stacking energy: -26.934 Base-Backbone interact. energy: -0.009 local terms energy: -48.930338 where: bonds (distance) C4'-P energy: -14.973 bonds (distance) P-C4' energy: -12.607 flat angles C4'-P-C4' energy: -11.332 flat angles P-C4'-P energy: -11.251 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: 1, replica: 1 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -229.189042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.189042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.189042 (E_RNA) where: Base-Base interactions energy: -149.344 where: short stacking energy: -70.397 Base-Backbone interact. energy: -0.005 local terms energy: -79.840755 where: bonds (distance) C4'-P energy: -15.623 bonds (distance) P-C4' energy: -14.460 flat angles C4'-P-C4' energy: -16.422 flat angles P-C4'-P energy: -12.495 tors. eta vs tors. theta energy: -20.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -207.510619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.510619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.510619 (E_RNA) where: Base-Base interactions energy: -136.814 where: short stacking energy: -65.611 Base-Backbone interact. energy: -0.100 local terms energy: -70.597387 where: bonds (distance) C4'-P energy: -14.973 bonds (distance) P-C4' energy: -15.141 flat angles C4'-P-C4' energy: -14.462 flat angles P-C4'-P energy: -9.541 tors. eta vs tors. theta energy: -16.480 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: 10 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -203.507743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.507743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.507743 (E_RNA) where: Base-Base interactions energy: -129.526 where: short stacking energy: -63.099 Base-Backbone interact. energy: -0.203 local terms energy: -73.778802 where: bonds (distance) C4'-P energy: -13.246 bonds (distance) P-C4' energy: -16.883 flat angles C4'-P-C4' energy: -15.053 flat angles P-C4'-P energy: -11.952 tors. eta vs tors. theta energy: -16.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -195.020919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.020919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.020919 (E_RNA) where: Base-Base interactions energy: -122.328 where: short stacking energy: -63.006 Base-Backbone interact. energy: -0.523 local terms energy: -72.169947 where: bonds (distance) C4'-P energy: -13.728 bonds (distance) P-C4' energy: -13.708 flat angles C4'-P-C4' energy: -16.048 flat angles P-C4'-P energy: -8.234 tors. eta vs tors. theta energy: -20.452 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: 77 Temperature: 1.100000 Total energy: -176.006716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.006716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.006716 (E_RNA) where: Base-Base interactions energy: -125.669 where: short stacking energy: -43.228 Base-Backbone interact. energy: -0.100 local terms energy: -50.237393 where: bonds (distance) C4'-P energy: -11.173 bonds (distance) P-C4' energy: -14.880 flat angles C4'-P-C4' energy: -10.887 flat angles P-C4'-P energy: -7.276 tors. eta vs tors. theta energy: -6.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -183.193238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.193238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.193238 (E_RNA) where: Base-Base interactions energy: -126.714 where: short stacking energy: -51.181 Base-Backbone interact. energy: 0.732 local terms energy: -57.210827 where: bonds (distance) C4'-P energy: -9.241 bonds (distance) P-C4' energy: -9.464 flat angles C4'-P-C4' energy: -13.145 flat angles P-C4'-P energy: -11.021 tors. eta vs tors. theta energy: -14.340 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: 9 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -168.632342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.632342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.632342 (E_RNA) where: Base-Base interactions energy: -105.006 where: short stacking energy: -49.379 Base-Backbone interact. energy: -0.071 local terms energy: -63.555056 where: bonds (distance) C4'-P energy: -14.357 bonds (distance) P-C4' energy: -17.430 flat angles C4'-P-C4' energy: -13.295 flat angles P-C4'-P energy: -9.675 tors. eta vs tors. theta energy: -8.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -170.010169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.010169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.010169 (E_RNA) where: Base-Base interactions energy: -104.809 where: short stacking energy: -49.215 Base-Backbone interact. energy: -0.054 local terms energy: -65.147540 where: bonds (distance) C4'-P energy: -9.501 bonds (distance) P-C4' energy: -13.077 flat angles C4'-P-C4' energy: -16.288 flat angles P-C4'-P energy: -10.085 tors. eta vs tors. theta energy: -16.197 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: 77 Temperature: 1.300000 Total energy: -119.617732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.617732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.617732 (E_RNA) where: Base-Base interactions energy: -72.006 where: short stacking energy: -33.978 Base-Backbone interact. energy: -0.159 local terms energy: -47.452552 where: bonds (distance) C4'-P energy: -10.493 bonds (distance) P-C4' energy: -9.077 flat angles C4'-P-C4' energy: -13.141 flat angles P-C4'-P energy: -8.242 tors. eta vs tors. theta energy: -6.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -96.644412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.644412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.644412 (E_RNA) where: Base-Base interactions energy: -47.528 where: short stacking energy: -38.314 Base-Backbone interact. energy: 0.792 local terms energy: -49.908268 where: bonds (distance) C4'-P energy: -14.083 bonds (distance) P-C4' energy: -11.750 flat angles C4'-P-C4' energy: -11.332 flat angles P-C4'-P energy: -11.920 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: 1, replica: 3 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -211.496094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.496094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.496094 (E_RNA) where: Base-Base interactions energy: -137.768 where: short stacking energy: -69.777 Base-Backbone interact. energy: -0.304 local terms energy: -73.423658 where: bonds (distance) C4'-P energy: -13.082 bonds (distance) P-C4' energy: -14.934 flat angles C4'-P-C4' energy: -15.187 flat angles P-C4'-P energy: -10.376 tors. eta vs tors. theta energy: -19.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -214.398665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.398665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.398665 (E_RNA) where: Base-Base interactions energy: -149.566 where: short stacking energy: -68.292 Base-Backbone interact. energy: -0.010 local terms energy: -64.823406 where: bonds (distance) C4'-P energy: -7.419 bonds (distance) P-C4' energy: -14.579 flat angles C4'-P-C4' energy: -15.671 flat angles P-C4'-P energy: -8.849 tors. eta vs tors. theta energy: -18.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -190.072552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.072552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.072552 (E_RNA) where: Base-Base interactions energy: -121.385 where: short stacking energy: -64.476 Base-Backbone interact. energy: 2.365 local terms energy: -71.052574 where: bonds (distance) C4'-P energy: -15.010 bonds (distance) P-C4' energy: -11.702 flat angles C4'-P-C4' energy: -15.596 flat angles P-C4'-P energy: -10.980 tors. eta vs tors. theta energy: -17.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -192.584003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.584003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.584003 (E_RNA) where: Base-Base interactions energy: -124.636 where: short stacking energy: -53.817 Base-Backbone interact. energy: 0.120 local terms energy: -68.068184 where: bonds (distance) C4'-P energy: -14.517 bonds (distance) P-C4' energy: -15.360 flat angles C4'-P-C4' energy: -16.102 flat angles P-C4'-P energy: -9.374 tors. eta vs tors. theta energy: -12.716 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: 2 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -179.500101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.500101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.500101 (E_RNA) where: Base-Base interactions energy: -119.249 where: short stacking energy: -52.641 Base-Backbone interact. energy: -0.329 local terms energy: -59.922437 where: bonds (distance) C4'-P energy: -14.021 bonds (distance) P-C4' energy: -12.343 flat angles C4'-P-C4' energy: -13.828 flat angles P-C4'-P energy: -8.392 tors. eta vs tors. theta energy: -11.338 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: 7 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -172.674318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.674318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.674318 (E_RNA) where: Base-Base interactions energy: -115.477 where: short stacking energy: -51.713 Base-Backbone interact. energy: -0.038 local terms energy: -57.159758 where: bonds (distance) C4'-P energy: -13.300 bonds (distance) P-C4' energy: -10.180 flat angles C4'-P-C4' energy: -13.501 flat angles P-C4'-P energy: -7.002 tors. eta vs tors. theta energy: -13.177 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: 7, replica: 8 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -161.459014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.459014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.459014 (E_RNA) where: Base-Base interactions energy: -100.685 where: short stacking energy: -52.636 Base-Backbone interact. energy: -0.273 local terms energy: -60.500697 where: bonds (distance) C4'-P energy: -15.644 bonds (distance) P-C4' energy: -14.812 flat angles C4'-P-C4' energy: -10.419 flat angles P-C4'-P energy: -10.285 tors. eta vs tors. theta energy: -9.341 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: 9 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -171.653328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.653328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.653328 (E_RNA) where: Base-Base interactions energy: -107.529 where: short stacking energy: -49.481 Base-Backbone interact. energy: -0.003 local terms energy: -64.121370 where: bonds (distance) C4'-P energy: -15.842 bonds (distance) P-C4' energy: -11.968 flat angles C4'-P-C4' energy: -13.439 flat angles P-C4'-P energy: -8.749 tors. eta vs tors. theta energy: -14.124 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: 5 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -76.949879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.949879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.949879 (E_RNA) where: Base-Base interactions energy: -34.787 where: short stacking energy: -32.799 Base-Backbone interact. energy: -0.126 local terms energy: -42.037004 where: bonds (distance) C4'-P energy: -9.334 bonds (distance) P-C4' energy: -15.079 flat angles C4'-P-C4' energy: -7.177 flat angles P-C4'-P energy: -8.059 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: 10, replica: 6 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -79.277484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.277484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.277484 (E_RNA) where: Base-Base interactions energy: -42.235 where: short stacking energy: -18.805 Base-Backbone interact. energy: -0.146 local terms energy: -36.896468 where: bonds (distance) C4'-P energy: -9.348 bonds (distance) P-C4' energy: -14.241 flat angles C4'-P-C4' energy: -10.817 flat angles P-C4'-P energy: -2.728 tors. eta vs tors. theta energy: 0.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -210.350802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.350802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.350802 (E_RNA) where: Base-Base interactions energy: -132.924 where: short stacking energy: -65.689 Base-Backbone interact. energy: -0.129 local terms energy: -77.297492 where: bonds (distance) C4'-P energy: -16.352 bonds (distance) P-C4' energy: -16.470 flat angles C4'-P-C4' energy: -16.376 flat angles P-C4'-P energy: -9.621 tors. eta vs tors. theta energy: -18.478 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: 1 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -211.519575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.519575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.519575 (E_RNA) where: Base-Base interactions energy: -144.030 where: short stacking energy: -64.609 Base-Backbone interact. energy: -0.586 local terms energy: -66.903324 where: bonds (distance) C4'-P energy: -11.562 bonds (distance) P-C4' energy: -16.886 flat angles C4'-P-C4' energy: -15.936 flat angles P-C4'-P energy: -9.349 tors. eta vs tors. theta energy: -13.170 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: 10 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -196.731770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.731770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.731770 (E_RNA) where: Base-Base interactions energy: -128.971 where: short stacking energy: -57.982 Base-Backbone interact. energy: -0.126 local terms energy: -67.634807 where: bonds (distance) C4'-P energy: -11.040 bonds (distance) P-C4' energy: -16.615 flat angles C4'-P-C4' energy: -16.485 flat angles P-C4'-P energy: -5.833 tors. eta vs tors. theta energy: -17.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -178.379098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.379098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.379098 (E_RNA) where: Base-Base interactions energy: -111.400 where: short stacking energy: -56.920 Base-Backbone interact. energy: -0.572 local terms energy: -66.406580 where: bonds (distance) C4'-P energy: -11.901 bonds (distance) P-C4' energy: -14.990 flat angles C4'-P-C4' energy: -16.265 flat angles P-C4'-P energy: -8.582 tors. eta vs tors. theta energy: -14.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -177.860224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.860224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.860224 (E_RNA) where: Base-Base interactions energy: -121.067 where: short stacking energy: -55.781 Base-Backbone interact. energy: -0.205 local terms energy: -56.588188 where: bonds (distance) C4'-P energy: -8.834 bonds (distance) P-C4' energy: -9.636 flat angles C4'-P-C4' energy: -15.247 flat angles P-C4'-P energy: -12.680 tors. eta vs tors. theta energy: -10.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -171.242611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.242611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.242611 (E_RNA) where: Base-Base interactions energy: -110.547 where: short stacking energy: -43.596 Base-Backbone interact. energy: -0.219 local terms energy: -60.476599 where: bonds (distance) C4'-P energy: -12.386 bonds (distance) P-C4' energy: -10.560 flat angles C4'-P-C4' energy: -14.212 flat angles P-C4'-P energy: -11.486 tors. eta vs tors. theta energy: -11.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -168.836456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.836456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.836456 (E_RNA) where: Base-Base interactions energy: -104.399 where: short stacking energy: -46.500 Base-Backbone interact. energy: -0.098 local terms energy: -64.339553 where: bonds (distance) C4'-P energy: -16.613 bonds (distance) P-C4' energy: -12.569 flat angles C4'-P-C4' energy: -13.687 flat angles P-C4'-P energy: -8.048 tors. eta vs tors. theta energy: -13.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -166.617633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.617633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.617633 (E_RNA) where: Base-Base interactions energy: -118.365 where: short stacking energy: -40.906 Base-Backbone interact. energy: -0.156 local terms energy: -48.097058 where: bonds (distance) C4'-P energy: -14.507 bonds (distance) P-C4' energy: -7.165 flat angles C4'-P-C4' energy: -5.746 flat angles P-C4'-P energy: -10.313 tors. eta vs tors. theta energy: -10.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -82.651151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.651151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.651151 (E_RNA) where: Base-Base interactions energy: -36.518 where: short stacking energy: -27.160 Base-Backbone interact. energy: -0.385 local terms energy: -45.747998 where: bonds (distance) C4'-P energy: -8.589 bonds (distance) P-C4' energy: -14.323 flat angles C4'-P-C4' energy: -11.678 flat angles P-C4'-P energy: -6.642 tors. eta vs tors. theta energy: -4.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -75.553837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.553837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.553837 (E_RNA) where: Base-Base interactions energy: -24.373 where: short stacking energy: -24.373 Base-Backbone interact. energy: -0.049 local terms energy: -51.132307 where: bonds (distance) C4'-P energy: -13.156 bonds (distance) P-C4' energy: -16.347 flat angles C4'-P-C4' energy: -11.700 flat angles P-C4'-P energy: -6.683 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: 1 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -222.433056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.433056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.433056 (E_RNA) where: Base-Base interactions energy: -154.089 where: short stacking energy: -67.349 Base-Backbone interact. energy: -0.015 local terms energy: -68.328940 where: bonds (distance) C4'-P energy: -12.456 bonds (distance) P-C4' energy: -15.268 flat angles C4'-P-C4' energy: -14.498 flat angles P-C4'-P energy: -5.912 tors. eta vs tors. theta energy: -20.194 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: 3 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -210.042723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.042723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.042723 (E_RNA) where: Base-Base interactions energy: -136.411 where: short stacking energy: -71.086 Base-Backbone interact. energy: -0.079 local terms energy: -73.552652 where: bonds (distance) C4'-P energy: -14.299 bonds (distance) P-C4' energy: -12.885 flat angles C4'-P-C4' energy: -14.886 flat angles P-C4'-P energy: -11.766 tors. eta vs tors. theta energy: -19.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -192.493127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.493127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.493127 (E_RNA) where: Base-Base interactions energy: -132.569 where: short stacking energy: -53.406 Base-Backbone interact. energy: -0.423 local terms energy: -59.500996 where: bonds (distance) C4'-P energy: -12.608 bonds (distance) P-C4' energy: -14.746 flat angles C4'-P-C4' energy: -14.876 flat angles P-C4'-P energy: -7.261 tors. eta vs tors. theta energy: -10.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -184.476034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.476034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.476034 (E_RNA) where: Base-Base interactions energy: -120.857 where: short stacking energy: -50.427 Base-Backbone interact. energy: 0.216 local terms energy: -63.834721 where: bonds (distance) C4'-P energy: -12.904 bonds (distance) P-C4' energy: -14.987 flat angles C4'-P-C4' energy: -14.331 flat angles P-C4'-P energy: -9.770 tors. eta vs tors. theta energy: -11.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -188.500023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.500023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.500023 (E_RNA) where: Base-Base interactions energy: -122.147 where: short stacking energy: -56.716 Base-Backbone interact. energy: -0.200 local terms energy: -66.153777 where: bonds (distance) C4'-P energy: -11.915 bonds (distance) P-C4' energy: -15.052 flat angles C4'-P-C4' energy: -14.234 flat angles P-C4'-P energy: -9.794 tors. eta vs tors. theta energy: -15.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -171.530079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.530079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.530079 (E_RNA) where: Base-Base interactions energy: -119.490 where: short stacking energy: -48.743 Base-Backbone interact. energy: -0.089 local terms energy: -51.950651 where: bonds (distance) C4'-P energy: -10.705 bonds (distance) P-C4' energy: -13.531 flat angles C4'-P-C4' energy: -10.540 flat angles P-C4'-P energy: -5.542 tors. eta vs tors. theta energy: -11.632 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: 8 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -162.212449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.212449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.212449 (E_RNA) where: Base-Base interactions energy: -104.401 where: short stacking energy: -51.098 Base-Backbone interact. energy: -0.006 local terms energy: -57.805452 where: bonds (distance) C4'-P energy: -10.324 bonds (distance) P-C4' energy: -15.234 flat angles C4'-P-C4' energy: -10.262 flat angles P-C4'-P energy: -7.421 tors. eta vs tors. theta energy: -14.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -160.377246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.377246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.377246 (E_RNA) where: Base-Base interactions energy: -102.709 where: short stacking energy: -37.693 Base-Backbone interact. energy: -1.395 local terms energy: -56.272793 where: bonds (distance) C4'-P energy: -10.994 bonds (distance) P-C4' energy: -16.005 flat angles C4'-P-C4' energy: -14.956 flat angles P-C4'-P energy: -9.335 tors. eta vs tors. theta energy: -4.983 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: 5 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -93.391624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.391624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.391624 (E_RNA) where: Base-Base interactions energy: -46.468 where: short stacking energy: -29.942 Base-Backbone interact. energy: -0.461 local terms energy: -46.462497 where: bonds (distance) C4'-P energy: -11.872 bonds (distance) P-C4' energy: -11.149 flat angles C4'-P-C4' energy: -13.648 flat angles P-C4'-P energy: -7.388 tors. eta vs tors. theta energy: -2.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -81.033395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.033395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.033395 (E_RNA) where: Base-Base interactions energy: -28.397 where: short stacking energy: -28.397 Base-Backbone interact. energy: -0.055 local terms energy: -52.581044 where: bonds (distance) C4'-P energy: -14.088 bonds (distance) P-C4' energy: -9.369 flat angles C4'-P-C4' energy: -11.500 flat angles P-C4'-P energy: -10.925 tors. eta vs tors. theta energy: -6.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -224.321894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.321894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.321894 (E_RNA) where: Base-Base interactions energy: -150.590 where: short stacking energy: -72.859 Base-Backbone interact. energy: -0.002 local terms energy: -73.729405 where: bonds (distance) C4'-P energy: -16.711 bonds (distance) P-C4' energy: -13.831 flat angles C4'-P-C4' energy: -14.463 flat angles P-C4'-P energy: -9.735 tors. eta vs tors. theta energy: -18.989 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: 4 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -204.383713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.383713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.383713 (E_RNA) where: Base-Base interactions energy: -137.042 where: short stacking energy: -60.224 Base-Backbone interact. energy: -0.463 local terms energy: -66.878455 where: bonds (distance) C4'-P energy: -15.271 bonds (distance) P-C4' energy: -16.548 flat angles C4'-P-C4' energy: -13.340 flat angles P-C4'-P energy: -6.483 tors. eta vs tors. theta energy: -15.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -207.916065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.916065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.916065 (E_RNA) where: Base-Base interactions energy: -129.753 where: short stacking energy: -66.032 Base-Backbone interact. energy: -0.397 local terms energy: -77.766669 where: bonds (distance) C4'-P energy: -16.277 bonds (distance) P-C4' energy: -15.444 flat angles C4'-P-C4' energy: -16.238 flat angles P-C4'-P energy: -12.278 tors. eta vs tors. theta energy: -17.530 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: 4, replica: 2 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -205.813200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.813200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.813200 (E_RNA) where: Base-Base interactions energy: -140.781 where: short stacking energy: -64.730 Base-Backbone interact. energy: -0.196 local terms energy: -64.836731 where: bonds (distance) C4'-P energy: -13.728 bonds (distance) P-C4' energy: -12.440 flat angles C4'-P-C4' energy: -15.220 flat angles P-C4'-P energy: -7.257 tors. eta vs tors. theta energy: -16.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -175.219086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.219086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.219086 (E_RNA) where: Base-Base interactions energy: -114.039 where: short stacking energy: -53.660 Base-Backbone interact. energy: -0.158 local terms energy: -61.022041 where: bonds (distance) C4'-P energy: -14.270 bonds (distance) P-C4' energy: -11.322 flat angles C4'-P-C4' energy: -13.833 flat angles P-C4'-P energy: -7.837 tors. eta vs tors. theta energy: -13.760 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: 6, replica: 7 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -179.424160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.424160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.424160 (E_RNA) where: Base-Base interactions energy: -123.609 where: short stacking energy: -50.839 Base-Backbone interact. energy: 1.351 local terms energy: -57.166396 where: bonds (distance) C4'-P energy: -11.844 bonds (distance) P-C4' energy: -15.525 flat angles C4'-P-C4' energy: -11.284 flat angles P-C4'-P energy: -6.719 tors. eta vs tors. theta energy: -11.794 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: 8 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -169.250576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.250576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.250576 (E_RNA) where: Base-Base interactions energy: -116.117 where: short stacking energy: -56.553 Base-Backbone interact. energy: 0.226 local terms energy: -53.359429 where: bonds (distance) C4'-P energy: -13.106 bonds (distance) P-C4' energy: -9.438 flat angles C4'-P-C4' energy: -9.400 flat angles P-C4'-P energy: -9.875 tors. eta vs tors. theta energy: -11.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -180.610285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.610285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.610285 (E_RNA) where: Base-Base interactions energy: -121.607 where: short stacking energy: -53.361 Base-Backbone interact. energy: 0.087 local terms energy: -59.089803 where: bonds (distance) C4'-P energy: -15.342 bonds (distance) P-C4' energy: -7.840 flat angles C4'-P-C4' energy: -14.535 flat angles P-C4'-P energy: -8.649 tors. eta vs tors. theta energy: -12.724 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: 5 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -86.109558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.109558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.109558 (E_RNA) where: Base-Base interactions energy: -37.982 where: short stacking energy: -34.694 Base-Backbone interact. energy: 1.959 local terms energy: -50.086964 where: bonds (distance) C4'-P energy: -12.823 bonds (distance) P-C4' energy: -14.410 flat angles C4'-P-C4' energy: -10.290 flat angles P-C4'-P energy: -8.249 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: 10, replica: 6 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -72.875720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.875720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.875720 (E_RNA) where: Base-Base interactions energy: -37.190 where: short stacking energy: -33.993 Base-Backbone interact. energy: 1.233 local terms energy: -36.918224 where: bonds (distance) C4'-P energy: -14.973 bonds (distance) P-C4' energy: -13.616 flat angles C4'-P-C4' energy: -8.815 flat angles P-C4'-P energy: 2.438 tors. eta vs tors. theta energy: -1.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -210.946303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.946303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.946303 (E_RNA) where: Base-Base interactions energy: -140.251 where: short stacking energy: -69.753 Base-Backbone interact. energy: -0.178 local terms energy: -70.517411 where: bonds (distance) C4'-P energy: -14.402 bonds (distance) P-C4' energy: -15.579 flat angles C4'-P-C4' energy: -16.963 flat angles P-C4'-P energy: -6.727 tors. eta vs tors. theta energy: -16.847 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: 82 Temperature: 0.950000 Total energy: -215.785672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.785672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.785672 (E_RNA) where: Base-Base interactions energy: -143.567 where: short stacking energy: -64.340 Base-Backbone interact. energy: -0.569 local terms energy: -71.649703 where: bonds (distance) C4'-P energy: -12.522 bonds (distance) P-C4' energy: -16.035 flat angles C4'-P-C4' energy: -15.520 flat angles P-C4'-P energy: -11.145 tors. eta vs tors. theta energy: -16.427 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: 2 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -187.339909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.339909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.339909 (E_RNA) where: Base-Base interactions energy: -119.442 where: short stacking energy: -59.263 Base-Backbone interact. energy: -0.211 local terms energy: -67.686991 where: bonds (distance) C4'-P energy: -15.992 bonds (distance) P-C4' energy: -14.345 flat angles C4'-P-C4' energy: -12.002 flat angles P-C4'-P energy: -9.121 tors. eta vs tors. theta energy: -16.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -201.733262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.733262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.733262 (E_RNA) where: Base-Base interactions energy: -129.323 where: short stacking energy: -66.702 Base-Backbone interact. energy: -0.050 local terms energy: -72.359850 where: bonds (distance) C4'-P energy: -13.690 bonds (distance) P-C4' energy: -13.514 flat angles C4'-P-C4' energy: -14.310 flat angles P-C4'-P energy: -12.118 tors. eta vs tors. theta energy: -18.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -169.179787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.179787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.179787 (E_RNA) where: Base-Base interactions energy: -113.130 where: short stacking energy: -31.738 Base-Backbone interact. energy: -1.186 local terms energy: -54.863642 where: bonds (distance) C4'-P energy: -13.538 bonds (distance) P-C4' energy: -13.492 flat angles C4'-P-C4' energy: -13.306 flat angles P-C4'-P energy: -6.652 tors. eta vs tors. theta energy: -7.876 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: 82 Temperature: 1.150000 Total energy: -172.678555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.678555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.678555 (E_RNA) where: Base-Base interactions energy: -118.558 where: short stacking energy: -65.283 Base-Backbone interact. energy: 0.460 local terms energy: -54.580966 where: bonds (distance) C4'-P energy: -7.815 bonds (distance) P-C4' energy: -12.311 flat angles C4'-P-C4' energy: -13.510 flat angles P-C4'-P energy: -6.506 tors. eta vs tors. theta energy: -14.440 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: 9 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -166.182077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.182077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.182077 (E_RNA) where: Base-Base interactions energy: -108.077 where: short stacking energy: -48.079 Base-Backbone interact. energy: -0.304 local terms energy: -57.801318 where: bonds (distance) C4'-P energy: -13.607 bonds (distance) P-C4' energy: -11.036 flat angles C4'-P-C4' energy: -15.695 flat angles P-C4'-P energy: -6.310 tors. eta vs tors. theta energy: -11.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -160.876651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.876651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.876651 (E_RNA) where: Base-Base interactions energy: -106.139 where: short stacking energy: -50.111 Base-Backbone interact. energy: -0.104 local terms energy: -54.634176 where: bonds (distance) C4'-P energy: -11.607 bonds (distance) P-C4' energy: -7.904 flat angles C4'-P-C4' energy: -12.934 flat angles P-C4'-P energy: -11.779 tors. eta vs tors. theta energy: -10.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -93.246368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.246368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.246368 (E_RNA) where: Base-Base interactions energy: -36.130 where: short stacking energy: -27.690 Base-Backbone interact. energy: -0.058 local terms energy: -57.057824 where: bonds (distance) C4'-P energy: -11.339 bonds (distance) P-C4' energy: -15.858 flat angles C4'-P-C4' energy: -15.106 flat angles P-C4'-P energy: -8.348 tors. eta vs tors. theta energy: -6.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -89.258009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.258009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.258009 (E_RNA) where: Base-Base interactions energy: -36.391 where: short stacking energy: -34.064 Base-Backbone interact. energy: -0.152 local terms energy: -52.715280 where: bonds (distance) C4'-P energy: -14.662 bonds (distance) P-C4' energy: -15.082 flat angles C4'-P-C4' energy: -13.610 flat angles P-C4'-P energy: -4.311 tors. eta vs tors. theta energy: -5.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -217.599806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.599806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.599806 (E_RNA) where: Base-Base interactions energy: -146.284 where: short stacking energy: -60.339 Base-Backbone interact. energy: -0.620 local terms energy: -70.696362 where: bonds (distance) C4'-P energy: -14.720 bonds (distance) P-C4' energy: -14.052 flat angles C4'-P-C4' energy: -15.025 flat angles P-C4'-P energy: -9.953 tors. eta vs tors. theta energy: -16.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -219.485966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.485966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.485966 (E_RNA) where: Base-Base interactions energy: -149.481 where: short stacking energy: -68.369 Base-Backbone interact. energy: -0.786 local terms energy: -69.218906 where: bonds (distance) C4'-P energy: -14.361 bonds (distance) P-C4' energy: -13.616 flat angles C4'-P-C4' energy: -14.513 flat angles P-C4'-P energy: -9.869 tors. eta vs tors. theta energy: -16.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -200.853789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.853789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.853789 (E_RNA) where: Base-Base interactions energy: -133.256 where: short stacking energy: -70.692 Base-Backbone interact. energy: -0.665 local terms energy: -66.932268 where: bonds (distance) C4'-P energy: -14.250 bonds (distance) P-C4' energy: -14.469 flat angles C4'-P-C4' energy: -11.826 flat angles P-C4'-P energy: -7.577 tors. eta vs tors. theta energy: -18.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -184.371601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.371601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.371601 (E_RNA) where: Base-Base interactions energy: -126.623 where: short stacking energy: -50.993 Base-Backbone interact. energy: -0.154 local terms energy: -57.595289 where: bonds (distance) C4'-P energy: -13.289 bonds (distance) P-C4' energy: -13.612 flat angles C4'-P-C4' energy: -12.570 flat angles P-C4'-P energy: -7.156 tors. eta vs tors. theta energy: -10.968 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: 3 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -194.125105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.125105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.125105 (E_RNA) where: Base-Base interactions energy: -123.576 where: short stacking energy: -64.455 Base-Backbone interact. energy: -0.001 local terms energy: -70.548335 where: bonds (distance) C4'-P energy: -14.686 bonds (distance) P-C4' energy: -10.237 flat angles C4'-P-C4' energy: -15.062 flat angles P-C4'-P energy: -11.368 tors. eta vs tors. theta energy: -19.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -171.660030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.660030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.660030 (E_RNA) where: Base-Base interactions energy: -114.985 where: short stacking energy: -53.292 Base-Backbone interact. energy: -0.030 local terms energy: -56.645252 where: bonds (distance) C4'-P energy: -14.269 bonds (distance) P-C4' energy: -13.246 flat angles C4'-P-C4' energy: -10.789 flat angles P-C4'-P energy: -8.187 tors. eta vs tors. theta energy: -10.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -178.791752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.791752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.791752 (E_RNA) where: Base-Base interactions energy: -114.008 where: short stacking energy: -52.441 Base-Backbone interact. energy: -0.189 local terms energy: -64.594910 where: bonds (distance) C4'-P energy: -11.667 bonds (distance) P-C4' energy: -17.345 flat angles C4'-P-C4' energy: -11.999 flat angles P-C4'-P energy: -9.407 tors. eta vs tors. theta energy: -14.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -171.728896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.728896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.728896 (E_RNA) where: Base-Base interactions energy: -121.783 where: short stacking energy: -42.552 Base-Backbone interact. energy: -0.095 local terms energy: -49.850843 where: bonds (distance) C4'-P energy: -8.348 bonds (distance) P-C4' energy: -11.456 flat angles C4'-P-C4' energy: -15.232 flat angles P-C4'-P energy: -6.817 tors. eta vs tors. theta energy: -7.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -75.566091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.566091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.566091 (E_RNA) where: Base-Base interactions energy: -37.093 where: short stacking energy: -15.114 Base-Backbone interact. energy: 0.286 local terms energy: -38.758914 where: bonds (distance) C4'-P energy: -8.830 bonds (distance) P-C4' energy: -15.551 flat angles C4'-P-C4' energy: -11.283 flat angles P-C4'-P energy: -6.326 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: 83 Temperature: 1.350000 Total energy: -85.115682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.115682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.115682 (E_RNA) where: Base-Base interactions energy: -39.007 where: short stacking energy: -36.211 Base-Backbone interact. energy: -0.017 local terms energy: -46.092024 where: bonds (distance) C4'-P energy: -8.138 bonds (distance) P-C4' energy: -11.784 flat angles C4'-P-C4' energy: -12.687 flat angles P-C4'-P energy: -5.956 tors. eta vs tors. theta energy: -7.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -224.210200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.210200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.210200 (E_RNA) where: Base-Base interactions energy: -151.771 where: short stacking energy: -67.372 Base-Backbone interact. energy: -0.346 local terms energy: -72.093198 where: bonds (distance) C4'-P energy: -14.597 bonds (distance) P-C4' energy: -16.303 flat angles C4'-P-C4' energy: -13.726 flat angles P-C4'-P energy: -8.186 tors. eta vs tors. theta energy: -19.281 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: 4 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -210.894616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.894616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.894616 (E_RNA) where: Base-Base interactions energy: -135.462 where: short stacking energy: -62.837 Base-Backbone interact. energy: -0.755 local terms energy: -74.677884 where: bonds (distance) C4'-P energy: -14.170 bonds (distance) P-C4' energy: -16.048 flat angles C4'-P-C4' energy: -14.214 flat angles P-C4'-P energy: -11.494 tors. eta vs tors. theta energy: -18.752 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: 7 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -186.596250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.596250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.596250 (E_RNA) where: Base-Base interactions energy: -129.262 where: short stacking energy: -54.175 Base-Backbone interact. energy: -0.244 local terms energy: -57.089515 where: bonds (distance) C4'-P energy: -6.110 bonds (distance) P-C4' energy: -12.894 flat angles C4'-P-C4' energy: -12.527 flat angles P-C4'-P energy: -13.387 tors. eta vs tors. theta energy: -12.171 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: 2 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -208.444354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.444354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.444354 (E_RNA) where: Base-Base interactions energy: -138.744 where: short stacking energy: -71.006 Base-Backbone interact. energy: -0.092 local terms energy: -69.607555 where: bonds (distance) C4'-P energy: -12.962 bonds (distance) P-C4' energy: -14.737 flat angles C4'-P-C4' energy: -15.484 flat angles P-C4'-P energy: -6.250 tors. eta vs tors. theta energy: -20.175 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: 9 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -176.847233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.847233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.847233 (E_RNA) where: Base-Base interactions energy: -109.217 where: short stacking energy: -52.561 Base-Backbone interact. energy: -0.159 local terms energy: -67.471445 where: bonds (distance) C4'-P energy: -10.346 bonds (distance) P-C4' energy: -15.268 flat angles C4'-P-C4' energy: -14.545 flat angles P-C4'-P energy: -11.694 tors. eta vs tors. theta energy: -15.618 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: 84 Temperature: 1.150000 Total energy: -168.574075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.574075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.574075 (E_RNA) where: Base-Base interactions energy: -106.875 where: short stacking energy: -61.520 Base-Backbone interact. energy: -0.032 local terms energy: -61.666308 where: bonds (distance) C4'-P energy: -6.248 bonds (distance) P-C4' energy: -15.720 flat angles C4'-P-C4' energy: -12.732 flat angles P-C4'-P energy: -12.904 tors. eta vs tors. theta energy: -14.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -176.710002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.710002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.710002 (E_RNA) where: Base-Base interactions energy: -113.065 where: short stacking energy: -56.130 Base-Backbone interact. energy: -0.014 local terms energy: -63.630792 where: bonds (distance) C4'-P energy: -12.626 bonds (distance) P-C4' energy: -12.486 flat angles C4'-P-C4' energy: -13.763 flat angles P-C4'-P energy: -11.042 tors. eta vs tors. theta energy: -13.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -174.546446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.546446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.546446 (E_RNA) where: Base-Base interactions energy: -115.711 where: short stacking energy: -51.909 Base-Backbone interact. energy: -0.263 local terms energy: -58.572102 where: bonds (distance) C4'-P energy: -9.578 bonds (distance) P-C4' energy: -13.684 flat angles C4'-P-C4' energy: -16.208 flat angles P-C4'-P energy: -10.821 tors. eta vs tors. theta energy: -8.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -85.084941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.084941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.084941 (E_RNA) where: Base-Base interactions energy: -35.516 where: short stacking energy: -34.383 Base-Backbone interact. energy: -0.014 local terms energy: -49.555836 where: bonds (distance) C4'-P energy: -9.127 bonds (distance) P-C4' energy: -16.830 flat angles C4'-P-C4' energy: -11.414 flat angles P-C4'-P energy: -7.853 tors. eta vs tors. theta energy: -4.332 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: 10, replica: 6 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -71.357053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.357053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.357053 (E_RNA) where: Base-Base interactions energy: -25.865 where: short stacking energy: -25.795 Base-Backbone interact. energy: -0.271 local terms energy: -45.221691 where: bonds (distance) C4'-P energy: -10.743 bonds (distance) P-C4' energy: -9.227 flat angles C4'-P-C4' energy: -15.742 flat angles P-C4'-P energy: -8.672 tors. eta vs tors. theta energy: -0.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -223.965914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.965914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.965914 (E_RNA) where: Base-Base interactions energy: -151.523 where: short stacking energy: -64.008 Base-Backbone interact. energy: -0.049 local terms energy: -72.394036 where: bonds (distance) C4'-P energy: -14.804 bonds (distance) P-C4' energy: -16.848 flat angles C4'-P-C4' energy: -14.996 flat angles P-C4'-P energy: -8.686 tors. eta vs tors. theta energy: -17.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -208.002591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.002591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.002591 (E_RNA) where: Base-Base interactions energy: -143.313 where: short stacking energy: -63.987 Base-Backbone interact. energy: -0.449 local terms energy: -64.240017 where: bonds (distance) C4'-P energy: -11.016 bonds (distance) P-C4' energy: -13.842 flat angles C4'-P-C4' energy: -15.738 flat angles P-C4'-P energy: -7.107 tors. eta vs tors. theta energy: -16.536 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: 7 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -180.626985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.626985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.626985 (E_RNA) where: Base-Base interactions energy: -121.699 where: short stacking energy: -55.744 Base-Backbone interact. energy: -0.020 local terms energy: -58.907927 where: bonds (distance) C4'-P energy: -12.315 bonds (distance) P-C4' energy: -12.220 flat angles C4'-P-C4' energy: -15.944 flat angles P-C4'-P energy: -6.719 tors. eta vs tors. theta energy: -11.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -186.827672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.827672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.827672 (E_RNA) where: Base-Base interactions energy: -124.311 where: short stacking energy: -55.868 Base-Backbone interact. energy: 0.683 local terms energy: -63.199296 where: bonds (distance) C4'-P energy: -14.079 bonds (distance) P-C4' energy: -14.166 flat angles C4'-P-C4' energy: -14.632 flat angles P-C4'-P energy: -7.789 tors. eta vs tors. theta energy: -12.533 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: 2 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -185.087981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.087981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.087981 (E_RNA) where: Base-Base interactions energy: -118.302 where: short stacking energy: -65.307 Base-Backbone interact. energy: -0.012 local terms energy: -66.773420 where: bonds (distance) C4'-P energy: -12.699 bonds (distance) P-C4' energy: -11.138 flat angles C4'-P-C4' energy: -17.025 flat angles P-C4'-P energy: -9.540 tors. eta vs tors. theta energy: -16.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -171.955510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.955510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.955510 (E_RNA) where: Base-Base interactions energy: -115.983 where: short stacking energy: -49.984 Base-Backbone interact. energy: -0.122 local terms energy: -55.850696 where: bonds (distance) C4'-P energy: -8.570 bonds (distance) P-C4' energy: -10.048 flat angles C4'-P-C4' energy: -16.679 flat angles P-C4'-P energy: -8.154 tors. eta vs tors. theta energy: -12.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -161.620575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.620575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.620575 (E_RNA) where: Base-Base interactions energy: -96.843 where: short stacking energy: -56.757 Base-Backbone interact. energy: -0.062 local terms energy: -64.715538 where: bonds (distance) C4'-P energy: -11.102 bonds (distance) P-C4' energy: -15.842 flat angles C4'-P-C4' energy: -17.280 flat angles P-C4'-P energy: -8.596 tors. eta vs tors. theta energy: -11.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -160.050048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.050048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.050048 (E_RNA) where: Base-Base interactions energy: -108.233 where: short stacking energy: -49.120 Base-Backbone interact. energy: -0.450 local terms energy: -51.367644 where: bonds (distance) C4'-P energy: -9.714 bonds (distance) P-C4' energy: -15.531 flat angles C4'-P-C4' energy: -10.428 flat angles P-C4'-P energy: -7.002 tors. eta vs tors. theta energy: -8.692 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: 5 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -80.856842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.856842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.856842 (E_RNA) where: Base-Base interactions energy: -28.559 where: short stacking energy: -28.559 Base-Backbone interact. energy: -0.268 local terms energy: -52.030166 where: bonds (distance) C4'-P energy: -13.470 bonds (distance) P-C4' energy: -14.001 flat angles C4'-P-C4' energy: -16.329 flat angles P-C4'-P energy: -8.377 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: 10, replica: 6 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -82.977813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.977813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.977813 (E_RNA) where: Base-Base interactions energy: -32.600 where: short stacking energy: -22.958 Base-Backbone interact. energy: -0.085 local terms energy: -50.293199 where: bonds (distance) C4'-P energy: -15.776 bonds (distance) P-C4' energy: -13.725 flat angles C4'-P-C4' energy: -12.824 flat angles P-C4'-P energy: -8.628 tors. eta vs tors. theta energy: 0.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -211.087316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.087316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.087316 (E_RNA) where: Base-Base interactions energy: -144.895 where: short stacking energy: -62.688 Base-Backbone interact. energy: -0.505 local terms energy: -65.687051 where: bonds (distance) C4'-P energy: -14.075 bonds (distance) P-C4' energy: -14.899 flat angles C4'-P-C4' energy: -10.743 flat angles P-C4'-P energy: -8.846 tors. eta vs tors. theta energy: -17.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -218.324513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.324513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.324513 (E_RNA) where: Base-Base interactions energy: -148.804 where: short stacking energy: -63.739 Base-Backbone interact. energy: -0.228 local terms energy: -69.292186 where: bonds (distance) C4'-P energy: -13.028 bonds (distance) P-C4' energy: -14.681 flat angles C4'-P-C4' energy: -16.127 flat angles P-C4'-P energy: -4.760 tors. eta vs tors. theta energy: -20.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -198.823463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.823463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.823463 (E_RNA) where: Base-Base interactions energy: -131.219 where: short stacking energy: -51.384 Base-Backbone interact. energy: -0.305 local terms energy: -67.298644 where: bonds (distance) C4'-P energy: -13.558 bonds (distance) P-C4' energy: -15.988 flat angles C4'-P-C4' energy: -14.772 flat angles P-C4'-P energy: -10.796 tors. eta vs tors. theta energy: -12.185 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: 7 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -193.004211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.004211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.004211 (E_RNA) where: Base-Base interactions energy: -124.632 where: short stacking energy: -54.402 Base-Backbone interact. energy: -0.001 local terms energy: -68.371002 where: bonds (distance) C4'-P energy: -14.849 bonds (distance) P-C4' energy: -17.595 flat angles C4'-P-C4' energy: -13.227 flat angles P-C4'-P energy: -8.244 tors. eta vs tors. theta energy: -14.456 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: 5, replica: 2 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -174.405104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.405104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.405104 (E_RNA) where: Base-Base interactions energy: -111.016 where: short stacking energy: -52.899 Base-Backbone interact. energy: 0.426 local terms energy: -63.815487 where: bonds (distance) C4'-P energy: -12.617 bonds (distance) P-C4' energy: -14.017 flat angles C4'-P-C4' energy: -16.478 flat angles P-C4'-P energy: -7.473 tors. eta vs tors. theta energy: -13.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -172.360978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.360978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.360978 (E_RNA) where: Base-Base interactions energy: -114.469 where: short stacking energy: -42.664 Base-Backbone interact. energy: -0.124 local terms energy: -57.767247 where: bonds (distance) C4'-P energy: -12.734 bonds (distance) P-C4' energy: -12.393 flat angles C4'-P-C4' energy: -14.419 flat angles P-C4'-P energy: -12.264 tors. eta vs tors. theta energy: -5.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -168.118460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.118460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.118460 (E_RNA) where: Base-Base interactions energy: -106.150 where: short stacking energy: -44.894 Base-Backbone interact. energy: -0.271 local terms energy: -61.697503 where: bonds (distance) C4'-P energy: -12.179 bonds (distance) P-C4' energy: -13.244 flat angles C4'-P-C4' energy: -14.826 flat angles P-C4'-P energy: -10.059 tors. eta vs tors. theta energy: -11.390 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: 3 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -130.331979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.331979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.331979 (E_RNA) where: Base-Base interactions energy: -82.358 where: short stacking energy: -35.925 Base-Backbone interact. energy: -0.157 local terms energy: -47.816987 where: bonds (distance) C4'-P energy: -13.194 bonds (distance) P-C4' energy: -12.852 flat angles C4'-P-C4' energy: -9.815 flat angles P-C4'-P energy: -5.356 tors. eta vs tors. theta energy: -6.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -82.989843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.989843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.989843 (E_RNA) where: Base-Base interactions energy: -31.789 where: short stacking energy: -31.789 Base-Backbone interact. energy: -0.100 local terms energy: -51.100779 where: bonds (distance) C4'-P energy: -14.075 bonds (distance) P-C4' energy: -10.221 flat angles C4'-P-C4' energy: -11.817 flat angles P-C4'-P energy: -10.493 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: 10, replica: 5 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -91.229942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.229942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.229942 (E_RNA) where: Base-Base interactions energy: -45.960 where: short stacking energy: -25.877 Base-Backbone interact. energy: -0.133 local terms energy: -45.137001 where: bonds (distance) C4'-P energy: -6.485 bonds (distance) P-C4' energy: -13.793 flat angles C4'-P-C4' energy: -12.122 flat angles P-C4'-P energy: -8.875 tors. eta vs tors. theta energy: -3.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -212.571755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.571755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.571755 (E_RNA) where: Base-Base interactions energy: -142.630 where: short stacking energy: -58.811 Base-Backbone interact. energy: -0.792 local terms energy: -69.149777 where: bonds (distance) C4'-P energy: -13.719 bonds (distance) P-C4' energy: -16.136 flat angles C4'-P-C4' energy: -11.053 flat angles P-C4'-P energy: -9.777 tors. eta vs tors. theta energy: -18.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -225.331361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.331361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.331361 (E_RNA) where: Base-Base interactions energy: -150.146 where: short stacking energy: -62.049 Base-Backbone interact. energy: -0.073 local terms energy: -75.112158 where: bonds (distance) C4'-P energy: -14.697 bonds (distance) P-C4' energy: -12.961 flat angles C4'-P-C4' energy: -16.607 flat angles P-C4'-P energy: -11.464 tors. eta vs tors. theta energy: -19.384 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: 9 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -203.248979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.248979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.248979 (E_RNA) where: Base-Base interactions energy: -135.372 where: short stacking energy: -58.585 Base-Backbone interact. energy: -0.252 local terms energy: -67.624923 where: bonds (distance) C4'-P energy: -14.125 bonds (distance) P-C4' energy: -14.497 flat angles C4'-P-C4' energy: -15.208 flat angles P-C4'-P energy: -11.447 tors. eta vs tors. theta energy: -12.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -200.038971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.038971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.038971 (E_RNA) where: Base-Base interactions energy: -133.022 where: short stacking energy: -60.804 Base-Backbone interact. energy: -0.004 local terms energy: -67.013691 where: bonds (distance) C4'-P energy: -8.610 bonds (distance) P-C4' energy: -16.971 flat angles C4'-P-C4' energy: -16.444 flat angles P-C4'-P energy: -8.999 tors. eta vs tors. theta energy: -15.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -182.500978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.500978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.500978 (E_RNA) where: Base-Base interactions energy: -120.151 where: short stacking energy: -55.537 Base-Backbone interact. energy: -0.244 local terms energy: -62.106225 where: bonds (distance) C4'-P energy: -9.326 bonds (distance) P-C4' energy: -11.974 flat angles C4'-P-C4' energy: -14.638 flat angles P-C4'-P energy: -8.841 tors. eta vs tors. theta energy: -17.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -170.962749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.962749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.962749 (E_RNA) where: Base-Base interactions energy: -111.237 where: short stacking energy: -50.369 Base-Backbone interact. energy: -0.367 local terms energy: -59.359070 where: bonds (distance) C4'-P energy: -13.763 bonds (distance) P-C4' energy: -13.514 flat angles C4'-P-C4' energy: -11.386 flat angles P-C4'-P energy: -7.834 tors. eta vs tors. theta energy: -12.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -177.112874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.112874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.112874 (E_RNA) where: Base-Base interactions energy: -112.788 where: short stacking energy: -47.565 Base-Backbone interact. energy: -0.018 local terms energy: -64.307279 where: bonds (distance) C4'-P energy: -11.470 bonds (distance) P-C4' energy: -13.566 flat angles C4'-P-C4' energy: -14.674 flat angles P-C4'-P energy: -7.391 tors. eta vs tors. theta energy: -17.207 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: 87 Temperature: 1.250000 Total energy: -104.062754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.062754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.062754 (E_RNA) where: Base-Base interactions energy: -51.363 where: short stacking energy: -31.248 Base-Backbone interact. energy: -0.011 local terms energy: -52.688696 where: bonds (distance) C4'-P energy: -14.596 bonds (distance) P-C4' energy: -14.643 flat angles C4'-P-C4' energy: -14.840 flat angles P-C4'-P energy: -5.557 tors. eta vs tors. theta energy: -3.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -91.761266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.761266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.761266 (E_RNA) where: Base-Base interactions energy: -35.891 where: short stacking energy: -35.891 Base-Backbone interact. energy: -0.169 local terms energy: -55.700719 where: bonds (distance) C4'-P energy: -11.135 bonds (distance) P-C4' energy: -11.239 flat angles C4'-P-C4' energy: -15.182 flat angles P-C4'-P energy: -8.320 tors. eta vs tors. theta energy: -9.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -78.168404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.168404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.168404 (E_RNA) where: Base-Base interactions energy: -24.392 where: short stacking energy: -24.392 Base-Backbone interact. energy: -0.091 local terms energy: -53.685780 where: bonds (distance) C4'-P energy: -16.049 bonds (distance) P-C4' energy: -12.504 flat angles C4'-P-C4' energy: -11.470 flat angles P-C4'-P energy: -6.556 tors. eta vs tors. theta energy: -7.106 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: 4 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -209.546404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.546404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.546404 (E_RNA) where: Base-Base interactions energy: -141.867 where: short stacking energy: -63.796 Base-Backbone interact. energy: -0.191 local terms energy: -67.488751 where: bonds (distance) C4'-P energy: -16.712 bonds (distance) P-C4' energy: -9.639 flat angles C4'-P-C4' energy: -14.390 flat angles P-C4'-P energy: -10.269 tors. eta vs tors. theta energy: -16.478 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: 1 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -217.576520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.576520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.576520 (E_RNA) where: Base-Base interactions energy: -145.716 where: short stacking energy: -63.248 Base-Backbone interact. energy: -0.004 local terms energy: -71.856050 where: bonds (distance) C4'-P energy: -13.397 bonds (distance) P-C4' energy: -14.977 flat angles C4'-P-C4' energy: -14.197 flat angles P-C4'-P energy: -13.784 tors. eta vs tors. theta energy: -15.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -206.324213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.324213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.324213 (E_RNA) where: Base-Base interactions energy: -133.170 where: short stacking energy: -64.124 Base-Backbone interact. energy: -0.069 local terms energy: -73.085224 where: bonds (distance) C4'-P energy: -15.035 bonds (distance) P-C4' energy: -14.741 flat angles C4'-P-C4' energy: -14.395 flat angles P-C4'-P energy: -9.575 tors. eta vs tors. theta energy: -19.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -192.595299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.595299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.595299 (E_RNA) where: Base-Base interactions energy: -133.278 where: short stacking energy: -56.451 Base-Backbone interact. energy: -0.396 local terms energy: -58.921409 where: bonds (distance) C4'-P energy: -10.369 bonds (distance) P-C4' energy: -13.461 flat angles C4'-P-C4' energy: -14.920 flat angles P-C4'-P energy: -7.813 tors. eta vs tors. theta energy: -12.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -184.335415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.335415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.335415 (E_RNA) where: Base-Base interactions energy: -131.132 where: short stacking energy: -58.403 Base-Backbone interact. energy: 0.157 local terms energy: -53.360206 where: bonds (distance) C4'-P energy: -11.127 bonds (distance) P-C4' energy: -10.495 flat angles C4'-P-C4' energy: -13.152 flat angles P-C4'-P energy: -4.987 tors. eta vs tors. theta energy: -13.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -175.093525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.093525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.093525 (E_RNA) where: Base-Base interactions energy: -110.219 where: short stacking energy: -54.691 Base-Backbone interact. energy: -0.037 local terms energy: -64.837368 where: bonds (distance) C4'-P energy: -12.191 bonds (distance) P-C4' energy: -14.033 flat angles C4'-P-C4' energy: -16.384 flat angles P-C4'-P energy: -9.796 tors. eta vs tors. theta energy: -12.433 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: 88 Temperature: 1.200000 Total energy: -167.804104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.804104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.804104 (E_RNA) where: Base-Base interactions energy: -110.364 where: short stacking energy: -47.323 Base-Backbone interact. energy: -0.008 local terms energy: -57.431771 where: bonds (distance) C4'-P energy: -11.608 bonds (distance) P-C4' energy: -13.742 flat angles C4'-P-C4' energy: -12.073 flat angles P-C4'-P energy: -5.031 tors. eta vs tors. theta energy: -14.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -103.378218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.378218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.378218 (E_RNA) where: Base-Base interactions energy: -39.532 where: short stacking energy: -39.532 Base-Backbone interact. energy: -0.148 local terms energy: -63.698076 where: bonds (distance) C4'-P energy: -13.525 bonds (distance) P-C4' energy: -13.838 flat angles C4'-P-C4' energy: -14.972 flat angles P-C4'-P energy: -12.635 tors. eta vs tors. theta energy: -8.729 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: 9, replica: 5 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -78.231059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.231059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.231059 (E_RNA) where: Base-Base interactions energy: -31.176 where: short stacking energy: -13.718 Base-Backbone interact. energy: -1.086 local terms energy: -45.969011 where: bonds (distance) C4'-P energy: -13.143 bonds (distance) P-C4' energy: -16.734 flat angles C4'-P-C4' energy: -7.823 flat angles P-C4'-P energy: -9.646 tors. eta vs tors. theta energy: 1.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -85.449328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.449328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.449328 (E_RNA) where: Base-Base interactions energy: -38.207 where: short stacking energy: -38.207 Base-Backbone interact. energy: -0.107 local terms energy: -47.136091 where: bonds (distance) C4'-P energy: -11.579 bonds (distance) P-C4' energy: -12.214 flat angles C4'-P-C4' energy: -10.335 flat angles P-C4'-P energy: -6.655 tors. eta vs tors. theta energy: -6.353 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: 4 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -221.069233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.069233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.069233 (E_RNA) where: Base-Base interactions energy: -153.039 where: short stacking energy: -62.949 Base-Backbone interact. energy: -0.688 local terms energy: -67.342538 where: bonds (distance) C4'-P energy: -13.238 bonds (distance) P-C4' energy: -16.027 flat angles C4'-P-C4' energy: -15.534 flat angles P-C4'-P energy: -8.583 tors. eta vs tors. theta energy: -13.961 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: 1 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -222.995464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.995464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.995464 (E_RNA) where: Base-Base interactions energy: -145.629 where: short stacking energy: -63.861 Base-Backbone interact. energy: -0.354 local terms energy: -77.012844 where: bonds (distance) C4'-P energy: -15.876 bonds (distance) P-C4' energy: -16.272 flat angles C4'-P-C4' energy: -16.083 flat angles P-C4'-P energy: -11.542 tors. eta vs tors. theta energy: -17.241 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: 7 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -191.944383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.944383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.944383 (E_RNA) where: Base-Base interactions energy: -127.287 where: short stacking energy: -55.309 Base-Backbone interact. energy: -0.436 local terms energy: -64.221240 where: bonds (distance) C4'-P energy: -15.724 bonds (distance) P-C4' energy: -16.211 flat angles C4'-P-C4' energy: -10.197 flat angles P-C4'-P energy: -8.629 tors. eta vs tors. theta energy: -13.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -197.487082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.487082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.487082 (E_RNA) where: Base-Base interactions energy: -131.864 where: short stacking energy: -62.098 Base-Backbone interact. energy: -0.058 local terms energy: -65.565062 where: bonds (distance) C4'-P energy: -12.746 bonds (distance) P-C4' energy: -15.269 flat angles C4'-P-C4' energy: -14.034 flat angles P-C4'-P energy: -7.674 tors. eta vs tors. theta energy: -15.842 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: 89 Temperature: 1.100000 Total energy: -180.717006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.717006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.717006 (E_RNA) where: Base-Base interactions energy: -116.128 where: short stacking energy: -57.431 Base-Backbone interact. energy: -0.001 local terms energy: -64.587930 where: bonds (distance) C4'-P energy: -10.826 bonds (distance) P-C4' energy: -16.442 flat angles C4'-P-C4' energy: -14.684 flat angles P-C4'-P energy: -8.121 tors. eta vs tors. theta energy: -14.515 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: 10 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -171.617760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.617760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.617760 (E_RNA) where: Base-Base interactions energy: -115.599 where: short stacking energy: -54.549 Base-Backbone interact. energy: 0.679 local terms energy: -56.697972 where: bonds (distance) C4'-P energy: -12.447 bonds (distance) P-C4' energy: -13.244 flat angles C4'-P-C4' energy: -14.215 flat angles P-C4'-P energy: -6.427 tors. eta vs tors. theta energy: -10.365 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: 89 Temperature: 1.200000 Total energy: -157.783986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.783986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.783986 (E_RNA) where: Base-Base interactions energy: -108.389 where: short stacking energy: -52.800 Base-Backbone interact. energy: -0.128 local terms energy: -49.266381 where: bonds (distance) C4'-P energy: -8.047 bonds (distance) P-C4' energy: -10.957 flat angles C4'-P-C4' energy: -12.399 flat angles P-C4'-P energy: -6.469 tors. eta vs tors. theta energy: -11.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -95.408070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.408070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.408070 (E_RNA) where: Base-Base interactions energy: -43.857 where: short stacking energy: -32.049 Base-Backbone interact. energy: 0.061 local terms energy: -51.612524 where: bonds (distance) C4'-P energy: -11.550 bonds (distance) P-C4' energy: -14.412 flat angles C4'-P-C4' energy: -13.733 flat angles P-C4'-P energy: -8.413 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: 9, replica: 3 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -93.034270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.034270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.034270 (E_RNA) where: Base-Base interactions energy: -37.936 where: short stacking energy: -30.287 Base-Backbone interact. energy: -0.255 local terms energy: -54.843280 where: bonds (distance) C4'-P energy: -11.497 bonds (distance) P-C4' energy: -16.786 flat angles C4'-P-C4' energy: -12.815 flat angles P-C4'-P energy: -9.189 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: 10, replica: 6 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -76.227684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.227684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.227684 (E_RNA) where: Base-Base interactions energy: -28.573 where: short stacking energy: -26.359 Base-Backbone interact. energy: 0.132 local terms energy: -47.786549 where: bonds (distance) C4'-P energy: -12.692 bonds (distance) P-C4' energy: -10.978 flat angles C4'-P-C4' energy: -15.131 flat angles P-C4'-P energy: -10.212 tors. eta vs tors. theta energy: 1.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -221.288948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.288948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.288948 (E_RNA) where: Base-Base interactions energy: -151.109 where: short stacking energy: -66.329 Base-Backbone interact. energy: -0.078 local terms energy: -70.101262 where: bonds (distance) C4'-P energy: -15.354 bonds (distance) P-C4' energy: -13.662 flat angles C4'-P-C4' energy: -13.311 flat angles P-C4'-P energy: -10.441 tors. eta vs tors. theta energy: -17.332 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: 2, replica: 4 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -213.427173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.427173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.427173 (E_RNA) where: Base-Base interactions energy: -143.422 where: short stacking energy: -63.503 Base-Backbone interact. energy: -0.145 local terms energy: -69.860191 where: bonds (distance) C4'-P energy: -15.900 bonds (distance) P-C4' energy: -15.106 flat angles C4'-P-C4' energy: -11.967 flat angles P-C4'-P energy: -9.332 tors. eta vs tors. theta energy: -17.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -192.286009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.286009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.286009 (E_RNA) where: Base-Base interactions energy: -133.297 where: short stacking energy: -55.856 Base-Backbone interact. energy: -1.307 local terms energy: -57.682076 where: bonds (distance) C4'-P energy: -13.348 bonds (distance) P-C4' energy: -12.194 flat angles C4'-P-C4' energy: -12.886 flat angles P-C4'-P energy: -8.144 tors. eta vs tors. theta energy: -11.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -193.381126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.381126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.381126 (E_RNA) where: Base-Base interactions energy: -130.217 where: short stacking energy: -61.885 Base-Backbone interact. energy: -0.004 local terms energy: -63.160056 where: bonds (distance) C4'-P energy: -13.963 bonds (distance) P-C4' energy: -11.552 flat angles C4'-P-C4' energy: -15.190 flat angles P-C4'-P energy: -8.771 tors. eta vs tors. theta energy: -13.684 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: 10 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -172.697940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.697940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.697940 (E_RNA) where: Base-Base interactions energy: -109.851 where: short stacking energy: -54.838 Base-Backbone interact. energy: -0.108 local terms energy: -62.738926 where: bonds (distance) C4'-P energy: -13.910 bonds (distance) P-C4' energy: -15.428 flat angles C4'-P-C4' energy: -12.197 flat angles P-C4'-P energy: -8.889 tors. eta vs tors. theta energy: -12.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -169.860331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.860331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.860331 (E_RNA) where: Base-Base interactions energy: -109.635 where: short stacking energy: -49.195 Base-Backbone interact. energy: -0.092 local terms energy: -60.132674 where: bonds (distance) C4'-P energy: -11.971 bonds (distance) P-C4' energy: -14.247 flat angles C4'-P-C4' energy: -13.389 flat angles P-C4'-P energy: -8.027 tors. eta vs tors. theta energy: -12.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -171.983530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.983530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.983530 (E_RNA) where: Base-Base interactions energy: -108.937 where: short stacking energy: -52.009 Base-Backbone interact. energy: -0.085 local terms energy: -62.961649 where: bonds (distance) C4'-P energy: -11.363 bonds (distance) P-C4' energy: -15.550 flat angles C4'-P-C4' energy: -13.649 flat angles P-C4'-P energy: -8.796 tors. eta vs tors. theta energy: -13.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -92.381050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.381050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.381050 (E_RNA) where: Base-Base interactions energy: -40.650 where: short stacking energy: -36.239 Base-Backbone interact. energy: -0.031 local terms energy: -51.699845 where: bonds (distance) C4'-P energy: -12.803 bonds (distance) P-C4' energy: -13.959 flat angles C4'-P-C4' energy: -11.645 flat angles P-C4'-P energy: -6.965 tors. eta vs tors. theta energy: -6.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -77.239748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.239748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.239748 (E_RNA) where: Base-Base interactions energy: -30.336 where: short stacking energy: -23.749 Base-Backbone interact. energy: -0.072 local terms energy: -46.831006 where: bonds (distance) C4'-P energy: -12.999 bonds (distance) P-C4' energy: -12.848 flat angles C4'-P-C4' energy: -14.160 flat angles P-C4'-P energy: -8.441 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: 10, replica: 3 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -95.531955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.531955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.531955 (E_RNA) where: Base-Base interactions energy: -40.522 where: short stacking energy: -36.182 Base-Backbone interact. energy: -0.088 local terms energy: -54.921945 where: bonds (distance) C4'-P energy: -14.944 bonds (distance) P-C4' energy: -9.661 flat angles C4'-P-C4' energy: -13.068 flat angles P-C4'-P energy: -11.920 tors. eta vs tors. theta energy: -5.329 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: 1 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -220.274480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.274480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.274480 (E_RNA) where: Base-Base interactions energy: -150.305 where: short stacking energy: -64.377 Base-Backbone interact. energy: -0.001 local terms energy: -69.968115 where: bonds (distance) C4'-P energy: -12.614 bonds (distance) P-C4' energy: -13.782 flat angles C4'-P-C4' energy: -15.665 flat angles P-C4'-P energy: -9.178 tors. eta vs tors. theta energy: -18.730 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: 4 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -216.507347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.507347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.507347 (E_RNA) where: Base-Base interactions energy: -150.937 where: short stacking energy: -62.413 Base-Backbone interact. energy: -0.356 local terms energy: -65.214594 where: bonds (distance) C4'-P energy: -12.252 bonds (distance) P-C4' energy: -15.466 flat angles C4'-P-C4' energy: -13.878 flat angles P-C4'-P energy: -5.680 tors. eta vs tors. theta energy: -17.939 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: 3, replica: 9 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -196.056966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.056966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.056966 (E_RNA) where: Base-Base interactions energy: -125.323 where: short stacking energy: -51.971 Base-Backbone interact. energy: -0.385 local terms energy: -70.348256 where: bonds (distance) C4'-P energy: -15.537 bonds (distance) P-C4' energy: -15.893 flat angles C4'-P-C4' energy: -10.809 flat angles P-C4'-P energy: -14.196 tors. eta vs tors. theta energy: -13.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -182.759423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.759423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.759423 (E_RNA) where: Base-Base interactions energy: -117.875 where: short stacking energy: -51.940 Base-Backbone interact. energy: -0.384 local terms energy: -64.500313 where: bonds (distance) C4'-P energy: -13.606 bonds (distance) P-C4' energy: -16.389 flat angles C4'-P-C4' energy: -12.667 flat angles P-C4'-P energy: -11.679 tors. eta vs tors. theta energy: -10.159 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: 10 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -185.455453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.455453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.455453 (E_RNA) where: Base-Base interactions energy: -120.398 where: short stacking energy: -49.330 Base-Backbone interact. energy: -0.492 local terms energy: -64.566071 where: bonds (distance) C4'-P energy: -13.549 bonds (distance) P-C4' energy: -14.790 flat angles C4'-P-C4' energy: -15.662 flat angles P-C4'-P energy: -9.719 tors. eta vs tors. theta energy: -10.846 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: 8 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -184.275360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.275360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.275360 (E_RNA) where: Base-Base interactions energy: -120.020 where: short stacking energy: -43.965 Base-Backbone interact. energy: -0.010 local terms energy: -64.246240 where: bonds (distance) C4'-P energy: -14.944 bonds (distance) P-C4' energy: -14.247 flat angles C4'-P-C4' energy: -13.588 flat angles P-C4'-P energy: -10.509 tors. eta vs tors. theta energy: -10.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -172.063252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.063252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.063252 (E_RNA) where: Base-Base interactions energy: -109.372 where: short stacking energy: -43.019 Base-Backbone interact. energy: -0.051 local terms energy: -62.640436 where: bonds (distance) C4'-P energy: -15.101 bonds (distance) P-C4' energy: -14.366 flat angles C4'-P-C4' energy: -12.678 flat angles P-C4'-P energy: -11.092 tors. eta vs tors. theta energy: -9.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -110.502127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.502127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.502127 (E_RNA) where: Base-Base interactions energy: -60.102 where: short stacking energy: -41.886 Base-Backbone interact. energy: -0.211 local terms energy: -50.189494 where: bonds (distance) C4'-P energy: -13.889 bonds (distance) P-C4' energy: -12.367 flat angles C4'-P-C4' energy: -14.551 flat angles P-C4'-P energy: -3.660 tors. eta vs tors. theta energy: -5.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -83.092429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.092429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.092429 (E_RNA) where: Base-Base interactions energy: -36.247 where: short stacking energy: -36.247 Base-Backbone interact. energy: -0.151 local terms energy: -46.694525 where: bonds (distance) C4'-P energy: -11.040 bonds (distance) P-C4' energy: -13.110 flat angles C4'-P-C4' energy: -16.757 flat angles P-C4'-P energy: -5.118 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: 10, replica: 3 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -69.876988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.876988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.876988 (E_RNA) where: Base-Base interactions energy: -18.343 where: short stacking energy: -16.987 Base-Backbone interact. energy: -0.166 local terms energy: -51.368039 where: bonds (distance) C4'-P energy: -13.515 bonds (distance) P-C4' energy: -15.852 flat angles C4'-P-C4' energy: -10.824 flat angles P-C4'-P energy: -7.179 tors. eta vs tors. theta energy: -3.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -221.743162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.743162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.743162 (E_RNA) where: Base-Base interactions energy: -151.807 where: short stacking energy: -61.064 Base-Backbone interact. energy: -0.491 local terms energy: -69.445192 where: bonds (distance) C4'-P energy: -16.298 bonds (distance) P-C4' energy: -15.843 flat angles C4'-P-C4' energy: -13.385 flat angles P-C4'-P energy: -6.740 tors. eta vs tors. theta energy: -17.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -214.225976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.225976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.225976 (E_RNA) where: Base-Base interactions energy: -147.701 where: short stacking energy: -62.314 Base-Backbone interact. energy: -0.173 local terms energy: -66.352463 where: bonds (distance) C4'-P energy: -15.715 bonds (distance) P-C4' energy: -13.383 flat angles C4'-P-C4' energy: -12.825 flat angles P-C4'-P energy: -9.942 tors. eta vs tors. theta energy: -14.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -201.629336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.629336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.629336 (E_RNA) where: Base-Base interactions energy: -128.174 where: short stacking energy: -52.774 Base-Backbone interact. energy: -0.216 local terms energy: -73.238861 where: bonds (distance) C4'-P energy: -14.667 bonds (distance) P-C4' energy: -16.477 flat angles C4'-P-C4' energy: -16.254 flat angles P-C4'-P energy: -13.092 tors. eta vs tors. theta energy: -12.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -185.003790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.003790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.003790 (E_RNA) where: Base-Base interactions energy: -130.516 where: short stacking energy: -41.522 Base-Backbone interact. energy: -0.226 local terms energy: -54.261816 where: bonds (distance) C4'-P energy: -11.256 bonds (distance) P-C4' energy: -13.825 flat angles C4'-P-C4' energy: -12.585 flat angles P-C4'-P energy: -9.921 tors. eta vs tors. theta energy: -6.676 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: 92 Temperature: 1.100000 Total energy: -180.166539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.166539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.166539 (E_RNA) where: Base-Base interactions energy: -115.569 where: short stacking energy: -55.188 Base-Backbone interact. energy: -0.014 local terms energy: -64.584350 where: bonds (distance) C4'-P energy: -14.431 bonds (distance) P-C4' energy: -13.251 flat angles C4'-P-C4' energy: -14.541 flat angles P-C4'-P energy: -10.011 tors. eta vs tors. theta energy: -12.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -177.399666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.399666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.399666 (E_RNA) where: Base-Base interactions energy: -106.151 where: short stacking energy: -56.606 Base-Backbone interact. energy: -0.041 local terms energy: -71.207980 where: bonds (distance) C4'-P energy: -14.128 bonds (distance) P-C4' energy: -16.597 flat angles C4'-P-C4' energy: -14.795 flat angles P-C4'-P energy: -11.087 tors. eta vs tors. theta energy: -14.601 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: 92 Temperature: 1.200000 Total energy: -172.764580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.764580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.764580 (E_RNA) where: Base-Base interactions energy: -108.470 where: short stacking energy: -50.539 Base-Backbone interact. energy: -0.089 local terms energy: -64.204991 where: bonds (distance) C4'-P energy: -9.425 bonds (distance) P-C4' energy: -14.664 flat angles C4'-P-C4' energy: -13.489 flat angles P-C4'-P energy: -11.305 tors. eta vs tors. theta energy: -15.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -94.862650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.862650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.862650 (E_RNA) where: Base-Base interactions energy: -38.237 where: short stacking energy: -34.381 Base-Backbone interact. energy: -0.208 local terms energy: -56.417759 where: bonds (distance) C4'-P energy: -11.596 bonds (distance) P-C4' energy: -16.464 flat angles C4'-P-C4' energy: -12.413 flat angles P-C4'-P energy: -8.302 tors. eta vs tors. theta energy: -7.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -77.830504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.830504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.830504 (E_RNA) where: Base-Base interactions energy: -35.473 where: short stacking energy: -29.875 Base-Backbone interact. energy: -0.235 local terms energy: -42.122314 where: bonds (distance) C4'-P energy: -14.092 bonds (distance) P-C4' energy: -11.405 flat angles C4'-P-C4' energy: -10.555 flat angles P-C4'-P energy: -7.483 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: 10, replica: 5 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -80.223600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.223600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.223600 (E_RNA) where: Base-Base interactions energy: -34.567 where: short stacking energy: -34.567 Base-Backbone interact. energy: -0.125 local terms energy: -45.532239 where: bonds (distance) C4'-P energy: -5.919 bonds (distance) P-C4' energy: -13.129 flat angles C4'-P-C4' energy: -16.157 flat angles P-C4'-P energy: -4.131 tors. eta vs tors. theta energy: -6.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -211.009415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.009415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.009415 (E_RNA) where: Base-Base interactions energy: -150.472 where: short stacking energy: -63.836 Base-Backbone interact. energy: -0.170 local terms energy: -60.367583 where: bonds (distance) C4'-P energy: -11.782 bonds (distance) P-C4' energy: -14.464 flat angles C4'-P-C4' energy: -12.005 flat angles P-C4'-P energy: -6.325 tors. eta vs tors. theta energy: -15.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -226.069664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.069664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.069664 (E_RNA) where: Base-Base interactions energy: -154.447 where: short stacking energy: -63.472 Base-Backbone interact. energy: -0.386 local terms energy: -71.236403 where: bonds (distance) C4'-P energy: -13.206 bonds (distance) P-C4' energy: -15.668 flat angles C4'-P-C4' energy: -16.082 flat angles P-C4'-P energy: -8.794 tors. eta vs tors. theta energy: -17.486 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: 9 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -189.139049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.139049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.139049 (E_RNA) where: Base-Base interactions energy: -128.820 where: short stacking energy: -51.707 Base-Backbone interact. energy: -0.162 local terms energy: -60.157230 where: bonds (distance) C4'-P energy: -14.530 bonds (distance) P-C4' energy: -12.942 flat angles C4'-P-C4' energy: -9.865 flat angles P-C4'-P energy: -12.643 tors. eta vs tors. theta energy: -10.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -178.900473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.900473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.900473 (E_RNA) where: Base-Base interactions energy: -118.125 where: short stacking energy: -53.664 Base-Backbone interact. energy: -0.223 local terms energy: -60.552150 where: bonds (distance) C4'-P energy: -9.398 bonds (distance) P-C4' energy: -14.744 flat angles C4'-P-C4' energy: -12.049 flat angles P-C4'-P energy: -9.839 tors. eta vs tors. theta energy: -14.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -189.803405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.803405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.803405 (E_RNA) where: Base-Base interactions energy: -120.394 where: short stacking energy: -58.124 Base-Backbone interact. energy: -0.062 local terms energy: -69.347095 where: bonds (distance) C4'-P energy: -12.800 bonds (distance) P-C4' energy: -13.453 flat angles C4'-P-C4' energy: -14.521 flat angles P-C4'-P energy: -10.552 tors. eta vs tors. theta energy: -18.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -179.929899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.929899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.929899 (E_RNA) where: Base-Base interactions energy: -122.189 where: short stacking energy: -55.264 Base-Backbone interact. energy: -0.089 local terms energy: -57.651512 where: bonds (distance) C4'-P energy: -12.315 bonds (distance) P-C4' energy: -12.007 flat angles C4'-P-C4' energy: -15.205 flat angles P-C4'-P energy: -5.007 tors. eta vs tors. theta energy: -13.117 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: 2 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -157.927671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.927671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.927671 (E_RNA) where: Base-Base interactions energy: -99.224 where: short stacking energy: -44.728 Base-Backbone interact. energy: -0.475 local terms energy: -58.228576 where: bonds (distance) C4'-P energy: -8.777 bonds (distance) P-C4' energy: -15.601 flat angles C4'-P-C4' energy: -16.858 flat angles P-C4'-P energy: -8.171 tors. eta vs tors. theta energy: -8.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -83.239518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.239518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.239518 (E_RNA) where: Base-Base interactions energy: -34.336 where: short stacking energy: -33.805 Base-Backbone interact. energy: -0.086 local terms energy: -48.817466 where: bonds (distance) C4'-P energy: -12.874 bonds (distance) P-C4' energy: -13.177 flat angles C4'-P-C4' energy: -12.910 flat angles P-C4'-P energy: -5.428 tors. eta vs tors. theta energy: -4.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -109.001184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.001184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.001184 (E_RNA) where: Base-Base interactions energy: -63.213 where: short stacking energy: -25.948 Base-Backbone interact. energy: 1.844 local terms energy: -47.632879 where: bonds (distance) C4'-P energy: -10.509 bonds (distance) P-C4' energy: -13.833 flat angles C4'-P-C4' energy: -7.802 flat angles P-C4'-P energy: -11.245 tors. eta vs tors. theta energy: -4.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -73.919851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.919851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.919851 (E_RNA) where: Base-Base interactions energy: -42.274 where: short stacking energy: -37.788 Base-Backbone interact. energy: -0.137 local terms energy: -31.509243 where: bonds (distance) C4'-P energy: -10.821 bonds (distance) P-C4' energy: -5.934 flat angles C4'-P-C4' energy: -12.309 flat angles P-C4'-P energy: 1.771 tors. eta vs tors. theta energy: -4.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -214.611385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.611385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.611385 (E_RNA) where: Base-Base interactions energy: -145.813 where: short stacking energy: -66.828 Base-Backbone interact. energy: -0.244 local terms energy: -68.555303 where: bonds (distance) C4'-P energy: -12.695 bonds (distance) P-C4' energy: -14.821 flat angles C4'-P-C4' energy: -14.770 flat angles P-C4'-P energy: -8.705 tors. eta vs tors. theta energy: -17.564 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: 1 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -211.550881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.550881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.550881 (E_RNA) where: Base-Base interactions energy: -138.655 where: short stacking energy: -62.783 Base-Backbone interact. energy: -0.090 local terms energy: -72.805820 where: bonds (distance) C4'-P energy: -14.027 bonds (distance) P-C4' energy: -15.829 flat angles C4'-P-C4' energy: -14.908 flat angles P-C4'-P energy: -10.988 tors. eta vs tors. theta energy: -17.053 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: 8 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -198.184651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.184651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.184651 (E_RNA) where: Base-Base interactions energy: -135.671 where: short stacking energy: -55.244 Base-Backbone interact. energy: -0.001 local terms energy: -62.512136 where: bonds (distance) C4'-P energy: -12.084 bonds (distance) P-C4' energy: -16.082 flat angles C4'-P-C4' energy: -12.964 flat angles P-C4'-P energy: -8.316 tors. eta vs tors. theta energy: -13.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -193.162742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.162742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.162742 (E_RNA) where: Base-Base interactions energy: -128.440 where: short stacking energy: -52.868 Base-Backbone interact. energy: -0.233 local terms energy: -64.489649 where: bonds (distance) C4'-P energy: -12.072 bonds (distance) P-C4' energy: -16.183 flat angles C4'-P-C4' energy: -12.313 flat angles P-C4'-P energy: -11.421 tors. eta vs tors. theta energy: -12.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -182.907749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.907749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.907749 (E_RNA) where: Base-Base interactions energy: -111.909 where: short stacking energy: -54.957 Base-Backbone interact. energy: 0.589 local terms energy: -71.587344 where: bonds (distance) C4'-P energy: -14.347 bonds (distance) P-C4' energy: -14.926 flat angles C4'-P-C4' energy: -16.300 flat angles P-C4'-P energy: -11.088 tors. eta vs tors. theta energy: -14.926 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: 6, replica: 7 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -189.159595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.159595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.159595 (E_RNA) where: Base-Base interactions energy: -118.623 where: short stacking energy: -45.115 Base-Backbone interact. energy: -0.335 local terms energy: -70.201659 where: bonds (distance) C4'-P energy: -14.732 bonds (distance) P-C4' energy: -17.295 flat angles C4'-P-C4' energy: -15.574 flat angles P-C4'-P energy: -11.699 tors. eta vs tors. theta energy: -10.901 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: 2 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -149.470060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.470060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.470060 (E_RNA) where: Base-Base interactions energy: -104.777 where: short stacking energy: -35.606 Base-Backbone interact. energy: -0.242 local terms energy: -44.450642 where: bonds (distance) C4'-P energy: -8.183 bonds (distance) P-C4' energy: -17.005 flat angles C4'-P-C4' energy: -10.434 flat angles P-C4'-P energy: -8.766 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: 8, replica: 3 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -121.203904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.203904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.203904 (E_RNA) where: Base-Base interactions energy: -76.919 where: short stacking energy: -33.245 Base-Backbone interact. energy: -0.091 local terms energy: -44.193704 where: bonds (distance) C4'-P energy: -15.670 bonds (distance) P-C4' energy: -12.912 flat angles C4'-P-C4' energy: -10.058 flat angles P-C4'-P energy: -3.535 tors. eta vs tors. theta energy: -2.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -116.610744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.610744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.610744 (E_RNA) where: Base-Base interactions energy: -67.799 where: short stacking energy: -31.427 Base-Backbone interact. energy: -0.144 local terms energy: -48.667254 where: bonds (distance) C4'-P energy: -11.347 bonds (distance) P-C4' energy: -16.234 flat angles C4'-P-C4' energy: -13.038 flat angles P-C4'-P energy: -5.821 tors. eta vs tors. theta energy: -2.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -76.490309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.490309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.490309 (E_RNA) where: Base-Base interactions energy: -30.564 where: short stacking energy: -24.512 Base-Backbone interact. energy: 0.035 local terms energy: -45.961322 where: bonds (distance) C4'-P energy: -12.680 bonds (distance) P-C4' energy: -7.729 flat angles C4'-P-C4' energy: -16.143 flat angles P-C4'-P energy: -6.479 tors. eta vs tors. theta energy: -2.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -211.830558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.830558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.830558 (E_RNA) where: Base-Base interactions energy: -145.265 where: short stacking energy: -64.681 Base-Backbone interact. energy: -0.494 local terms energy: -66.071692 where: bonds (distance) C4'-P energy: -9.005 bonds (distance) P-C4' energy: -15.000 flat angles C4'-P-C4' energy: -16.141 flat angles P-C4'-P energy: -9.292 tors. eta vs tors. theta energy: -16.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -220.494901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.494901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.494901 (E_RNA) where: Base-Base interactions energy: -150.466 where: short stacking energy: -69.248 Base-Backbone interact. energy: -0.248 local terms energy: -69.781079 where: bonds (distance) C4'-P energy: -15.006 bonds (distance) P-C4' energy: -13.973 flat angles C4'-P-C4' energy: -14.070 flat angles P-C4'-P energy: -9.214 tors. eta vs tors. theta energy: -17.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -208.202408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.202408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.202408 (E_RNA) where: Base-Base interactions energy: -137.591 where: short stacking energy: -58.110 Base-Backbone interact. energy: -0.932 local terms energy: -69.679880 where: bonds (distance) C4'-P energy: -15.043 bonds (distance) P-C4' energy: -13.965 flat angles C4'-P-C4' energy: -15.621 flat angles P-C4'-P energy: -7.798 tors. eta vs tors. theta energy: -17.253 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: 4, replica: 10 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -192.623494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.623494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.623494 (E_RNA) where: Base-Base interactions energy: -119.957 where: short stacking energy: -61.121 Base-Backbone interact. energy: -0.027 local terms energy: -72.640229 where: bonds (distance) C4'-P energy: -16.703 bonds (distance) P-C4' energy: -11.591 flat angles C4'-P-C4' energy: -16.833 flat angles P-C4'-P energy: -10.780 tors. eta vs tors. theta energy: -16.733 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: 9 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -186.335146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.335146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.335146 (E_RNA) where: Base-Base interactions energy: -117.940 where: short stacking energy: -62.486 Base-Backbone interact. energy: -0.028 local terms energy: -68.367149 where: bonds (distance) C4'-P energy: -15.094 bonds (distance) P-C4' energy: -13.254 flat angles C4'-P-C4' energy: -14.922 flat angles P-C4'-P energy: -10.118 tors. eta vs tors. theta energy: -14.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -183.917541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.917541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.917541 (E_RNA) where: Base-Base interactions energy: -125.289 where: short stacking energy: -51.481 Base-Backbone interact. energy: -0.167 local terms energy: -58.462234 where: bonds (distance) C4'-P energy: -13.095 bonds (distance) P-C4' energy: -12.954 flat angles C4'-P-C4' energy: -16.311 flat angles P-C4'-P energy: -3.752 tors. eta vs tors. theta energy: -12.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -167.253583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.253583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.253583 (E_RNA) where: Base-Base interactions energy: -119.243 where: short stacking energy: -50.961 Base-Backbone interact. energy: -0.193 local terms energy: -47.817166 where: bonds (distance) C4'-P energy: -12.009 bonds (distance) P-C4' energy: -11.334 flat angles C4'-P-C4' energy: -10.572 flat angles P-C4'-P energy: -4.610 tors. eta vs tors. theta energy: -9.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -121.587207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.587207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.587207 (E_RNA) where: Base-Base interactions energy: -70.843 where: short stacking energy: -40.461 Base-Backbone interact. energy: -0.039 local terms energy: -50.705452 where: bonds (distance) C4'-P energy: -9.406 bonds (distance) P-C4' energy: -17.584 flat angles C4'-P-C4' energy: -10.539 flat angles P-C4'-P energy: -5.505 tors. eta vs tors. theta energy: -7.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -107.946152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.946152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.946152 (E_RNA) where: Base-Base interactions energy: -64.755 where: short stacking energy: -32.376 Base-Backbone interact. energy: -0.485 local terms energy: -42.706155 where: bonds (distance) C4'-P energy: -9.173 bonds (distance) P-C4' energy: -10.094 flat angles C4'-P-C4' energy: -10.890 flat angles P-C4'-P energy: -9.959 tors. eta vs tors. theta energy: -2.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -94.024347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.024347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.024347 (E_RNA) where: Base-Base interactions energy: -52.134 where: short stacking energy: -32.675 Base-Backbone interact. energy: -0.136 local terms energy: -41.754184 where: bonds (distance) C4'-P energy: -9.078 bonds (distance) P-C4' energy: -8.886 flat angles C4'-P-C4' energy: -12.047 flat angles P-C4'-P energy: -8.311 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: 1, replica: 1 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -221.468909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.468909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.468909 (E_RNA) where: Base-Base interactions energy: -145.815 where: short stacking energy: -59.309 Base-Backbone interact. energy: -0.111 local terms energy: -75.543817 where: bonds (distance) C4'-P energy: -16.177 bonds (distance) P-C4' energy: -16.622 flat angles C4'-P-C4' energy: -15.425 flat angles P-C4'-P energy: -8.247 tors. eta vs tors. theta energy: -19.073 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: 4 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -211.465056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.465056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.465056 (E_RNA) where: Base-Base interactions energy: -145.287 where: short stacking energy: -56.786 Base-Backbone interact. energy: -0.265 local terms energy: -65.913563 where: bonds (distance) C4'-P energy: -11.893 bonds (distance) P-C4' energy: -14.113 flat angles C4'-P-C4' energy: -15.967 flat angles P-C4'-P energy: -8.043 tors. eta vs tors. theta energy: -15.897 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: 96 Temperature: 1.000000 Total energy: -209.954821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.954821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.954821 (E_RNA) where: Base-Base interactions energy: -150.384 where: short stacking energy: -66.886 Base-Backbone interact. energy: -0.727 local terms energy: -58.844630 where: bonds (distance) C4'-P energy: -9.799 bonds (distance) P-C4' energy: -13.626 flat angles C4'-P-C4' energy: -13.815 flat angles P-C4'-P energy: -5.075 tors. eta vs tors. theta energy: -16.530 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: 4, replica: 10 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -200.079789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.079789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.079789 (E_RNA) where: Base-Base interactions energy: -131.196 where: short stacking energy: -65.451 Base-Backbone interact. energy: -0.012 local terms energy: -68.872013 where: bonds (distance) C4'-P energy: -14.182 bonds (distance) P-C4' energy: -14.891 flat angles C4'-P-C4' energy: -15.340 flat angles P-C4'-P energy: -7.582 tors. eta vs tors. theta energy: -16.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -196.905481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.905481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.905481 (E_RNA) where: Base-Base interactions energy: -135.391 where: short stacking energy: -58.742 Base-Backbone interact. energy: -0.009 local terms energy: -61.505248 where: bonds (distance) C4'-P energy: -14.623 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -13.107 flat angles P-C4'-P energy: -10.413 tors. eta vs tors. theta energy: -16.033 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: 9 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -176.879699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.879699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.879699 (E_RNA) where: Base-Base interactions energy: -118.598 where: short stacking energy: -43.352 Base-Backbone interact. energy: -0.314 local terms energy: -57.968461 where: bonds (distance) C4'-P energy: -14.515 bonds (distance) P-C4' energy: -13.394 flat angles C4'-P-C4' energy: -12.656 flat angles P-C4'-P energy: -5.114 tors. eta vs tors. theta energy: -12.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -153.969305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.969305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.969305 (E_RNA) where: Base-Base interactions energy: -96.232 where: short stacking energy: -44.322 Base-Backbone interact. energy: 0.277 local terms energy: -58.013750 where: bonds (distance) C4'-P energy: -13.657 bonds (distance) P-C4' energy: -14.159 flat angles C4'-P-C4' energy: -15.754 flat angles P-C4'-P energy: -5.712 tors. eta vs tors. theta energy: -8.732 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: 5 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -77.579349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.579349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.579349 (E_RNA) where: Base-Base interactions energy: -29.697 where: short stacking energy: -29.697 Base-Backbone interact. energy: -0.059 local terms energy: -47.823433 where: bonds (distance) C4'-P energy: -14.179 bonds (distance) P-C4' energy: -11.264 flat angles C4'-P-C4' energy: -15.863 flat angles P-C4'-P energy: -3.909 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: 9, replica: 6 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -79.837216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.837216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.837216 (E_RNA) where: Base-Base interactions energy: -27.162 where: short stacking energy: -27.162 Base-Backbone interact. energy: -0.118 local terms energy: -52.557556 where: bonds (distance) C4'-P energy: -11.310 bonds (distance) P-C4' energy: -15.333 flat angles C4'-P-C4' energy: -16.137 flat angles P-C4'-P energy: -3.133 tors. eta vs tors. theta energy: -6.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -72.409681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.409681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.409681 (E_RNA) where: Base-Base interactions energy: -20.366 where: short stacking energy: -20.366 Base-Backbone interact. energy: -0.040 local terms energy: -52.003968 where: bonds (distance) C4'-P energy: -13.657 bonds (distance) P-C4' energy: -9.721 flat angles C4'-P-C4' energy: -16.200 flat angles P-C4'-P energy: -6.178 tors. eta vs tors. theta energy: -6.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -214.673760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.673760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.673760 (E_RNA) where: Base-Base interactions energy: -155.486 where: short stacking energy: -63.771 Base-Backbone interact. energy: -0.839 local terms energy: -58.348987 where: bonds (distance) C4'-P energy: -13.682 bonds (distance) P-C4' energy: -16.293 flat angles C4'-P-C4' energy: -9.133 flat angles P-C4'-P energy: -5.514 tors. eta vs tors. theta energy: -13.727 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: 4 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -210.758021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.758021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.758021 (E_RNA) where: Base-Base interactions energy: -150.553 where: short stacking energy: -61.533 Base-Backbone interact. energy: -0.032 local terms energy: -60.173838 where: bonds (distance) C4'-P energy: -10.805 bonds (distance) P-C4' energy: -11.130 flat angles C4'-P-C4' energy: -11.658 flat angles P-C4'-P energy: -8.742 tors. eta vs tors. theta energy: -17.838 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: 8 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -201.374054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.374054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.374054 (E_RNA) where: Base-Base interactions energy: -125.983 where: short stacking energy: -60.749 Base-Backbone interact. energy: -0.290 local terms energy: -75.101087 where: bonds (distance) C4'-P energy: -17.308 bonds (distance) P-C4' energy: -14.842 flat angles C4'-P-C4' energy: -16.687 flat angles P-C4'-P energy: -8.287 tors. eta vs tors. theta energy: -17.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -188.749613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.749613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.749613 (E_RNA) where: Base-Base interactions energy: -124.472 where: short stacking energy: -50.585 Base-Backbone interact. energy: -0.003 local terms energy: -64.274223 where: bonds (distance) C4'-P energy: -13.905 bonds (distance) P-C4' energy: -15.995 flat angles C4'-P-C4' energy: -15.469 flat angles P-C4'-P energy: -6.073 tors. eta vs tors. theta energy: -12.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -178.510028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.510028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.510028 (E_RNA) where: Base-Base interactions energy: -117.835 where: short stacking energy: -61.792 Base-Backbone interact. energy: -0.295 local terms energy: -60.379762 where: bonds (distance) C4'-P energy: -14.394 bonds (distance) P-C4' energy: -13.395 flat angles C4'-P-C4' energy: -9.154 flat angles P-C4'-P energy: -9.221 tors. eta vs tors. theta energy: -14.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -178.734490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.734490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.734490 (E_RNA) where: Base-Base interactions energy: -114.249 where: short stacking energy: -52.068 Base-Backbone interact. energy: -0.097 local terms energy: -64.388115 where: bonds (distance) C4'-P energy: -11.173 bonds (distance) P-C4' energy: -14.703 flat angles C4'-P-C4' energy: -14.859 flat angles P-C4'-P energy: -8.905 tors. eta vs tors. theta energy: -14.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -162.741572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.741572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.741572 (E_RNA) where: Base-Base interactions energy: -114.019 where: short stacking energy: -54.433 Base-Backbone interact. energy: -0.604 local terms energy: -48.117952 where: bonds (distance) C4'-P energy: -8.617 bonds (distance) P-C4' energy: -10.669 flat angles C4'-P-C4' energy: -13.379 flat angles P-C4'-P energy: -3.654 tors. eta vs tors. theta energy: -11.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -78.150331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.150331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.150331 (E_RNA) where: Base-Base interactions energy: -32.826 where: short stacking energy: -32.826 Base-Backbone interact. energy: -0.129 local terms energy: -45.194755 where: bonds (distance) C4'-P energy: -10.797 bonds (distance) P-C4' energy: -13.021 flat angles C4'-P-C4' energy: -7.850 flat angles P-C4'-P energy: -7.324 tors. eta vs tors. theta energy: -6.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -80.144820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.144820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.144820 (E_RNA) where: Base-Base interactions energy: -23.916 where: short stacking energy: -23.916 Base-Backbone interact. energy: -0.202 local terms energy: -56.026810 where: bonds (distance) C4'-P energy: -16.625 bonds (distance) P-C4' energy: -15.222 flat angles C4'-P-C4' energy: -9.391 flat angles P-C4'-P energy: -10.184 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: 10, replica: 3 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -86.440747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.440747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.440747 (E_RNA) where: Base-Base interactions energy: -38.489 where: short stacking energy: -38.489 Base-Backbone interact. energy: -0.024 local terms energy: -47.927463 where: bonds (distance) C4'-P energy: -5.185 bonds (distance) P-C4' energy: -15.582 flat angles C4'-P-C4' energy: -15.769 flat angles P-C4'-P energy: -4.409 tors. eta vs tors. theta energy: -6.982 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: 1 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -223.011188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.011188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.011188 (E_RNA) where: Base-Base interactions energy: -160.721 where: short stacking energy: -70.060 Base-Backbone interact. energy: -0.001 local terms energy: -62.288933 where: bonds (distance) C4'-P energy: -16.091 bonds (distance) P-C4' energy: -14.493 flat angles C4'-P-C4' energy: -15.992 flat angles P-C4'-P energy: -2.064 tors. eta vs tors. theta energy: -13.649 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: 4 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -199.708977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.708977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.708977 (E_RNA) where: Base-Base interactions energy: -135.860 where: short stacking energy: -49.993 Base-Backbone interact. energy: -0.266 local terms energy: -63.583136 where: bonds (distance) C4'-P energy: -16.845 bonds (distance) P-C4' energy: -16.379 flat angles C4'-P-C4' energy: -13.422 flat angles P-C4'-P energy: -2.655 tors. eta vs tors. theta energy: -14.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -189.435106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.435106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.435106 (E_RNA) where: Base-Base interactions energy: -129.532 where: short stacking energy: -49.737 Base-Backbone interact. energy: 0.083 local terms energy: -59.986439 where: bonds (distance) C4'-P energy: -15.471 bonds (distance) P-C4' energy: -13.126 flat angles C4'-P-C4' energy: -13.503 flat angles P-C4'-P energy: -9.672 tors. eta vs tors. theta energy: -8.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -205.719239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.719239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.719239 (E_RNA) where: Base-Base interactions energy: -134.321 where: short stacking energy: -58.411 Base-Backbone interact. energy: -0.103 local terms energy: -71.294543 where: bonds (distance) C4'-P energy: -16.514 bonds (distance) P-C4' energy: -12.355 flat angles C4'-P-C4' energy: -14.339 flat angles P-C4'-P energy: -8.954 tors. eta vs tors. theta energy: -19.134 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: 2 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -181.998853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.998853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.998853 (E_RNA) where: Base-Base interactions energy: -123.023 where: short stacking energy: -52.677 Base-Backbone interact. energy: -0.055 local terms energy: -58.920812 where: bonds (distance) C4'-P energy: -12.564 bonds (distance) P-C4' energy: -9.606 flat angles C4'-P-C4' energy: -12.552 flat angles P-C4'-P energy: -7.884 tors. eta vs tors. theta energy: -16.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -185.508739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.508739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.508739 (E_RNA) where: Base-Base interactions energy: -112.383 where: short stacking energy: -43.297 Base-Backbone interact. energy: -0.318 local terms energy: -72.807037 where: bonds (distance) C4'-P energy: -14.794 bonds (distance) P-C4' energy: -17.749 flat angles C4'-P-C4' energy: -14.456 flat angles P-C4'-P energy: -9.582 tors. eta vs tors. theta energy: -16.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -146.798321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.798321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.798321 (E_RNA) where: Base-Base interactions energy: -94.320 where: short stacking energy: -40.354 Base-Backbone interact. energy: -0.068 local terms energy: -52.410293 where: bonds (distance) C4'-P energy: -15.680 bonds (distance) P-C4' energy: -14.134 flat angles C4'-P-C4' energy: -13.003 flat angles P-C4'-P energy: -2.607 tors. eta vs tors. theta energy: -6.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -84.919149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.919149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.919149 (E_RNA) where: Base-Base interactions energy: -34.147 where: short stacking energy: -33.578 Base-Backbone interact. energy: -0.055 local terms energy: -50.717587 where: bonds (distance) C4'-P energy: -14.634 bonds (distance) P-C4' energy: -12.750 flat angles C4'-P-C4' energy: -12.614 flat angles P-C4'-P energy: -8.441 tors. eta vs tors. theta energy: -2.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -80.315796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.315796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.315796 (E_RNA) where: Base-Base interactions energy: -35.236 where: short stacking energy: -35.236 Base-Backbone interact. energy: 5.702 local terms energy: -50.781477 where: bonds (distance) C4'-P energy: -9.194 bonds (distance) P-C4' energy: -13.738 flat angles C4'-P-C4' energy: -14.414 flat angles P-C4'-P energy: -6.306 tors. eta vs tors. theta energy: -7.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -91.257497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.257497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.257497 (E_RNA) where: Base-Base interactions energy: -36.417 where: short stacking energy: -23.340 Base-Backbone interact. energy: -0.071 local terms energy: -54.769459 where: bonds (distance) C4'-P energy: -12.194 bonds (distance) P-C4' energy: -15.228 flat angles C4'-P-C4' energy: -14.396 flat angles P-C4'-P energy: -11.271 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: 1 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -216.929485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.929485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.929485 (E_RNA) where: Base-Base interactions energy: -143.857 where: short stacking energy: -61.041 Base-Backbone interact. energy: -0.004 local terms energy: -73.068459 where: bonds (distance) C4'-P energy: -15.222 bonds (distance) P-C4' energy: -16.054 flat angles C4'-P-C4' energy: -16.474 flat angles P-C4'-P energy: -12.012 tors. eta vs tors. theta energy: -13.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -197.919514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.919514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.919514 (E_RNA) where: Base-Base interactions energy: -137.604 where: short stacking energy: -59.004 Base-Backbone interact. energy: -0.187 local terms energy: -60.128989 where: bonds (distance) C4'-P energy: -11.376 bonds (distance) P-C4' energy: -15.769 flat angles C4'-P-C4' energy: -11.590 flat angles P-C4'-P energy: -7.540 tors. eta vs tors. theta energy: -13.854 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: 7 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -195.479092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.479092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.479092 (E_RNA) where: Base-Base interactions energy: -133.203 where: short stacking energy: -55.342 Base-Backbone interact. energy: 1.509 local terms energy: -63.784360 where: bonds (distance) C4'-P energy: -14.233 bonds (distance) P-C4' energy: -14.455 flat angles C4'-P-C4' energy: -14.613 flat angles P-C4'-P energy: -9.692 tors. eta vs tors. theta energy: -10.791 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: 4, replica: 8 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -201.774880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.774880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.774880 (E_RNA) where: Base-Base interactions energy: -135.760 where: short stacking energy: -54.897 Base-Backbone interact. energy: -0.463 local terms energy: -65.551553 where: bonds (distance) C4'-P energy: -14.634 bonds (distance) P-C4' energy: -12.280 flat angles C4'-P-C4' energy: -13.413 flat angles P-C4'-P energy: -9.635 tors. eta vs tors. theta energy: -15.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -192.648435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.648435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.648435 (E_RNA) where: Base-Base interactions energy: -130.257 where: short stacking energy: -54.487 Base-Backbone interact. energy: -0.108 local terms energy: -62.283995 where: bonds (distance) C4'-P energy: -8.868 bonds (distance) P-C4' energy: -15.375 flat angles C4'-P-C4' energy: -11.703 flat angles P-C4'-P energy: -9.889 tors. eta vs tors. theta energy: -16.449 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: 9 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -174.546017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.546017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.546017 (E_RNA) where: Base-Base interactions energy: -113.800 where: short stacking energy: -53.579 Base-Backbone interact. energy: -0.002 local terms energy: -60.743573 where: bonds (distance) C4'-P energy: -13.532 bonds (distance) P-C4' energy: -12.480 flat angles C4'-P-C4' energy: -12.732 flat angles P-C4'-P energy: -5.879 tors. eta vs tors. theta energy: -16.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -170.883933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.883933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.883933 (E_RNA) where: Base-Base interactions energy: -112.685 where: short stacking energy: -51.750 Base-Backbone interact. energy: 1.852 local terms energy: -60.051772 where: bonds (distance) C4'-P energy: -16.385 bonds (distance) P-C4' energy: -11.421 flat angles C4'-P-C4' energy: -12.169 flat angles P-C4'-P energy: -8.443 tors. eta vs tors. theta energy: -11.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -96.339765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.339765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.339765 (E_RNA) where: Base-Base interactions energy: -44.761 where: short stacking energy: -31.870 Base-Backbone interact. energy: -0.095 local terms energy: -51.484009 where: bonds (distance) C4'-P energy: -13.612 bonds (distance) P-C4' energy: -11.227 flat angles C4'-P-C4' energy: -11.016 flat angles P-C4'-P energy: -8.561 tors. eta vs tors. theta energy: -7.069 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: 6 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -80.828873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.828873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.828873 (E_RNA) where: Base-Base interactions energy: -34.702 where: short stacking energy: -24.262 Base-Backbone interact. energy: -0.280 local terms energy: -45.846625 where: bonds (distance) C4'-P energy: -16.249 bonds (distance) P-C4' energy: -10.791 flat angles C4'-P-C4' energy: -15.476 flat angles P-C4'-P energy: -1.401 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: 10, replica: 5 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -91.366102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.366102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.366102 (E_RNA) where: Base-Base interactions energy: -42.377 where: short stacking energy: -32.002 Base-Backbone interact. energy: -0.024 local terms energy: -48.965550 where: bonds (distance) C4'-P energy: -14.609 bonds (distance) P-C4' energy: -13.679 flat angles C4'-P-C4' energy: -9.962 flat angles P-C4'-P energy: -7.385 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: 1 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -229.109947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.109947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.109947 (E_RNA) where: Base-Base interactions energy: -149.790 where: short stacking energy: -69.655 Base-Backbone interact. energy: -0.001 local terms energy: -79.318346 where: bonds (distance) C4'-P energy: -14.845 bonds (distance) P-C4' energy: -15.970 flat angles C4'-P-C4' energy: -16.257 flat angles P-C4'-P energy: -13.169 tors. eta vs tors. theta energy: -19.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -197.449914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.449914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.449914 (E_RNA) where: Base-Base interactions energy: -130.391 where: short stacking energy: -61.286 Base-Backbone interact. energy: -0.069 local terms energy: -66.990039 where: bonds (distance) C4'-P energy: -13.529 bonds (distance) P-C4' energy: -11.274 flat angles C4'-P-C4' energy: -14.949 flat angles P-C4'-P energy: -9.970 tors. eta vs tors. theta energy: -17.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -209.620138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.620138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.620138 (E_RNA) where: Base-Base interactions energy: -147.227 where: short stacking energy: -61.926 Base-Backbone interact. energy: -0.044 local terms energy: -62.349096 where: bonds (distance) C4'-P energy: -11.099 bonds (distance) P-C4' energy: -14.187 flat angles C4'-P-C4' energy: -11.077 flat angles P-C4'-P energy: -9.321 tors. eta vs tors. theta energy: -16.664 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: 7 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -198.723204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.723204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.723204 (E_RNA) where: Base-Base interactions energy: -126.182 where: short stacking energy: -45.793 Base-Backbone interact. energy: -1.002 local terms energy: -71.539528 where: bonds (distance) C4'-P energy: -16.240 bonds (distance) P-C4' energy: -15.988 flat angles C4'-P-C4' energy: -14.928 flat angles P-C4'-P energy: -8.087 tors. eta vs tors. theta energy: -16.297 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: 9 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -182.696815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.696815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.696815 (E_RNA) where: Base-Base interactions energy: -120.430 where: short stacking energy: -43.830 Base-Backbone interact. energy: 0.590 local terms energy: -62.856626 where: bonds (distance) C4'-P energy: -13.024 bonds (distance) P-C4' energy: -16.650 flat angles C4'-P-C4' energy: -15.230 flat angles P-C4'-P energy: -8.367 tors. eta vs tors. theta energy: -9.586 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: 2 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -179.802466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.802466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.802466 (E_RNA) where: Base-Base interactions energy: -121.830 where: short stacking energy: -47.267 Base-Backbone interact. energy: -0.315 local terms energy: -57.657917 where: bonds (distance) C4'-P energy: -11.165 bonds (distance) P-C4' energy: -16.343 flat angles C4'-P-C4' energy: -13.145 flat angles P-C4'-P energy: -1.937 tors. eta vs tors. theta energy: -15.067 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: 10 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -171.283774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.283774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.283774 (E_RNA) where: Base-Base interactions energy: -106.723 where: short stacking energy: -43.889 Base-Backbone interact. energy: -0.539 local terms energy: -64.021945 where: bonds (distance) C4'-P energy: -12.557 bonds (distance) P-C4' energy: -16.811 flat angles C4'-P-C4' energy: -16.540 flat angles P-C4'-P energy: -9.417 tors. eta vs tors. theta energy: -8.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -83.724660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.724660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.724660 (E_RNA) where: Base-Base interactions energy: -32.592 where: short stacking energy: -32.592 Base-Backbone interact. energy: -0.293 local terms energy: -50.839134 where: bonds (distance) C4'-P energy: -12.493 bonds (distance) P-C4' energy: -13.758 flat angles C4'-P-C4' energy: -9.548 flat angles P-C4'-P energy: -11.868 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: 9, replica: 5 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -108.494723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.494723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.494723 (E_RNA) where: Base-Base interactions energy: -62.261 where: short stacking energy: -23.492 Base-Backbone interact. energy: -0.926 local terms energy: -45.307789 where: bonds (distance) C4'-P energy: -13.043 bonds (distance) P-C4' energy: -13.733 flat angles C4'-P-C4' energy: -10.305 flat angles P-C4'-P energy: -8.814 tors. eta vs tors. theta energy: 0.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -114.484842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.484842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.484842 (E_RNA) where: Base-Base interactions energy: -64.033 where: short stacking energy: -39.077 Base-Backbone interact. energy: -0.248 local terms energy: -50.204385 where: bonds (distance) C4'-P energy: -10.667 bonds (distance) P-C4' energy: -16.128 flat angles C4'-P-C4' energy: -12.708 flat angles P-C4'-P energy: -6.874 tors. eta vs tors. theta energy: -3.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -223.755796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.755796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.755796 (E_RNA) where: Base-Base interactions energy: -150.604 where: short stacking energy: -68.678 Base-Backbone interact. energy: 0.574 local terms energy: -73.725799 where: bonds (distance) C4'-P energy: -14.336 bonds (distance) P-C4' energy: -16.851 flat angles C4'-P-C4' energy: -15.768 flat angles P-C4'-P energy: -11.234 tors. eta vs tors. theta energy: -15.536 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: 8 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -219.122953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.122953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.122953 (E_RNA) where: Base-Base interactions energy: -153.182 where: short stacking energy: -63.573 Base-Backbone interact. energy: -0.638 local terms energy: -65.302516 where: bonds (distance) C4'-P energy: -13.256 bonds (distance) P-C4' energy: -13.735 flat angles C4'-P-C4' energy: -13.298 flat angles P-C4'-P energy: -9.472 tors. eta vs tors. theta energy: -15.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -195.588325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.588325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.588325 (E_RNA) where: Base-Base interactions energy: -133.133 where: short stacking energy: -56.690 Base-Backbone interact. energy: -0.087 local terms energy: -62.368168 where: bonds (distance) C4'-P energy: -11.873 bonds (distance) P-C4' energy: -15.692 flat angles C4'-P-C4' energy: -14.857 flat angles P-C4'-P energy: -7.683 tors. eta vs tors. theta energy: -12.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -188.467620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.467620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.467620 (E_RNA) where: Base-Base interactions energy: -121.968 where: short stacking energy: -51.777 Base-Backbone interact. energy: -0.025 local terms energy: -66.474704 where: bonds (distance) C4'-P energy: -16.401 bonds (distance) P-C4' energy: -16.174 flat angles C4'-P-C4' energy: -12.608 flat angles P-C4'-P energy: -8.165 tors. eta vs tors. theta energy: -13.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -191.751343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.751343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.751343 (E_RNA) where: Base-Base interactions energy: -136.265 where: short stacking energy: -47.724 Base-Backbone interact. energy: -0.265 local terms energy: -55.222229 where: bonds (distance) C4'-P energy: -7.663 bonds (distance) P-C4' energy: -13.085 flat angles C4'-P-C4' energy: -11.192 flat angles P-C4'-P energy: -8.358 tors. eta vs tors. theta energy: -14.925 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: 6, replica: 2 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -180.824960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.824960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.824960 (E_RNA) where: Base-Base interactions energy: -125.400 where: short stacking energy: -48.631 Base-Backbone interact. energy: -0.013 local terms energy: -55.411525 where: bonds (distance) C4'-P energy: -7.112 bonds (distance) P-C4' energy: -13.644 flat angles C4'-P-C4' energy: -14.768 flat angles P-C4'-P energy: -3.658 tors. eta vs tors. theta energy: -16.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -165.803599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.803599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.803599 (E_RNA) where: Base-Base interactions energy: -109.592 where: short stacking energy: -43.139 Base-Backbone interact. energy: 0.014 local terms energy: -56.225654 where: bonds (distance) C4'-P energy: -10.209 bonds (distance) P-C4' energy: -14.424 flat angles C4'-P-C4' energy: -15.222 flat angles P-C4'-P energy: -3.713 tors. eta vs tors. theta energy: -12.658 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: 5 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -85.590334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.590334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.590334 (E_RNA) where: Base-Base interactions energy: -36.204 where: short stacking energy: -34.843 Base-Backbone interact. energy: 0.026 local terms energy: -49.412229 where: bonds (distance) C4'-P energy: -11.729 bonds (distance) P-C4' energy: -15.231 flat angles C4'-P-C4' energy: -6.652 flat angles P-C4'-P energy: -9.510 tors. eta vs tors. theta energy: -6.290 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: 101 Temperature: 1.300000 Total energy: -90.179001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.179001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.179001 (E_RNA) where: Base-Base interactions energy: -29.480 where: short stacking energy: -29.127 Base-Backbone interact. energy: -0.185 local terms energy: -60.514162 where: bonds (distance) C4'-P energy: -11.409 bonds (distance) P-C4' energy: -15.226 flat angles C4'-P-C4' energy: -14.066 flat angles P-C4'-P energy: -10.414 tors. eta vs tors. theta energy: -9.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -96.725640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.725640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.725640 (E_RNA) where: Base-Base interactions energy: -47.977 where: short stacking energy: -20.599 Base-Backbone interact. energy: -0.516 local terms energy: -48.232233 where: bonds (distance) C4'-P energy: -12.503 bonds (distance) P-C4' energy: -15.780 flat angles C4'-P-C4' energy: -12.478 flat angles P-C4'-P energy: -7.355 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: 1, replica: 8 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -224.312037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.312037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.312037 (E_RNA) where: Base-Base interactions energy: -148.513 where: short stacking energy: -64.168 Base-Backbone interact. energy: -1.331 local terms energy: -74.468294 where: bonds (distance) C4'-P energy: -16.522 bonds (distance) P-C4' energy: -14.824 flat angles C4'-P-C4' energy: -14.861 flat angles P-C4'-P energy: -8.859 tors. eta vs tors. theta energy: -19.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -220.787060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.787060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.787060 (E_RNA) where: Base-Base interactions energy: -151.596 where: short stacking energy: -70.795 Base-Backbone interact. energy: -0.376 local terms energy: -68.815190 where: bonds (distance) C4'-P energy: -12.695 bonds (distance) P-C4' energy: -12.148 flat angles C4'-P-C4' energy: -16.439 flat angles P-C4'-P energy: -9.480 tors. eta vs tors. theta energy: -18.053 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: 4 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -201.275171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.275171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.275171 (E_RNA) where: Base-Base interactions energy: -141.007 where: short stacking energy: -52.625 Base-Backbone interact. energy: -0.163 local terms energy: -60.105647 where: bonds (distance) C4'-P energy: -11.947 bonds (distance) P-C4' energy: -13.263 flat angles C4'-P-C4' energy: -13.639 flat angles P-C4'-P energy: -9.072 tors. eta vs tors. theta energy: -12.184 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: 4, replica: 9 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -187.082566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.082566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.082566 (E_RNA) where: Base-Base interactions energy: -126.492 where: short stacking energy: -52.188 Base-Backbone interact. energy: -0.725 local terms energy: -59.864854 where: bonds (distance) C4'-P energy: -10.848 bonds (distance) P-C4' energy: -10.901 flat angles C4'-P-C4' energy: -15.245 flat angles P-C4'-P energy: -10.750 tors. eta vs tors. theta energy: -12.120 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: 2 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -185.875438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.875438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.875438 (E_RNA) where: Base-Base interactions energy: -119.678 where: short stacking energy: -49.356 Base-Backbone interact. energy: -0.421 local terms energy: -65.776280 where: bonds (distance) C4'-P energy: -14.848 bonds (distance) P-C4' energy: -11.844 flat angles C4'-P-C4' energy: -13.476 flat angles P-C4'-P energy: -8.510 tors. eta vs tors. theta energy: -17.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -179.401627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.401627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.401627 (E_RNA) where: Base-Base interactions energy: -122.256 where: short stacking energy: -43.766 Base-Backbone interact. energy: -0.029 local terms energy: -57.116383 where: bonds (distance) C4'-P energy: -9.178 bonds (distance) P-C4' energy: -12.764 flat angles C4'-P-C4' energy: -13.717 flat angles P-C4'-P energy: -8.753 tors. eta vs tors. theta energy: -12.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -171.165112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.165112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.165112 (E_RNA) where: Base-Base interactions energy: -113.253 where: short stacking energy: -52.767 Base-Backbone interact. energy: -0.533 local terms energy: -57.378742 where: bonds (distance) C4'-P energy: -10.958 bonds (distance) P-C4' energy: -12.943 flat angles C4'-P-C4' energy: -15.448 flat angles P-C4'-P energy: -7.851 tors. eta vs tors. theta energy: -10.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -82.648066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.648066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.648066 (E_RNA) where: Base-Base interactions energy: -39.389 where: short stacking energy: -38.402 Base-Backbone interact. energy: -0.239 local terms energy: -43.019626 where: bonds (distance) C4'-P energy: -13.748 bonds (distance) P-C4' energy: -9.682 flat angles C4'-P-C4' energy: -10.239 flat angles P-C4'-P energy: -7.343 tors. eta vs tors. theta energy: -2.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -106.019708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.019708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.019708 (E_RNA) where: Base-Base interactions energy: -64.918 where: short stacking energy: -27.771 Base-Backbone interact. energy: -0.250 local terms energy: -40.851756 where: bonds (distance) C4'-P energy: -8.291 bonds (distance) P-C4' energy: -10.187 flat angles C4'-P-C4' energy: -12.542 flat angles P-C4'-P energy: -1.690 tors. eta vs tors. theta energy: -8.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -75.359168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.359168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.359168 (E_RNA) where: Base-Base interactions energy: -31.496 where: short stacking energy: -31.496 Base-Backbone interact. energy: -0.195 local terms energy: -43.668205 where: bonds (distance) C4'-P energy: -13.453 bonds (distance) P-C4' energy: -10.774 flat angles C4'-P-C4' energy: -14.324 flat angles P-C4'-P energy: -3.598 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: 1, replica: 8 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -214.764402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.764402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.764402 (E_RNA) where: Base-Base interactions energy: -138.695 where: short stacking energy: -53.625 Base-Backbone interact. energy: -0.738 local terms energy: -75.331366 where: bonds (distance) C4'-P energy: -16.613 bonds (distance) P-C4' energy: -17.056 flat angles C4'-P-C4' energy: -13.752 flat angles P-C4'-P energy: -12.709 tors. eta vs tors. theta energy: -15.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -199.010243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.010243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.010243 (E_RNA) where: Base-Base interactions energy: -129.763 where: short stacking energy: -63.734 Base-Backbone interact. energy: -0.012 local terms energy: -69.234814 where: bonds (distance) C4'-P energy: -13.752 bonds (distance) P-C4' energy: -15.971 flat angles C4'-P-C4' energy: -15.371 flat angles P-C4'-P energy: -7.529 tors. eta vs tors. theta energy: -16.611 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: 3, replica: 1 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -219.993361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.993361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.993361 (E_RNA) where: Base-Base interactions energy: -145.510 where: short stacking energy: -58.478 Base-Backbone interact. energy: -0.000 local terms energy: -74.482716 where: bonds (distance) C4'-P energy: -13.515 bonds (distance) P-C4' energy: -17.771 flat angles C4'-P-C4' energy: -15.899 flat angles P-C4'-P energy: -9.551 tors. eta vs tors. theta energy: -17.747 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: 2 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -186.824099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.824099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.824099 (E_RNA) where: Base-Base interactions energy: -128.359 where: short stacking energy: -53.454 Base-Backbone interact. energy: 0.178 local terms energy: -58.643845 where: bonds (distance) C4'-P energy: -15.140 bonds (distance) P-C4' energy: -12.921 flat angles C4'-P-C4' energy: -11.270 flat angles P-C4'-P energy: -9.937 tors. eta vs tors. theta energy: -9.376 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: 9 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -182.936047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.936047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.936047 (E_RNA) where: Base-Base interactions energy: -121.777 where: short stacking energy: -58.641 Base-Backbone interact. energy: -0.161 local terms energy: -60.998312 where: bonds (distance) C4'-P energy: -14.481 bonds (distance) P-C4' energy: -9.823 flat angles C4'-P-C4' energy: -11.646 flat angles P-C4'-P energy: -10.663 tors. eta vs tors. theta energy: -14.385 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: 7 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -181.141314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.141314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.141314 (E_RNA) where: Base-Base interactions energy: -121.378 where: short stacking energy: -40.681 Base-Backbone interact. energy: -0.525 local terms energy: -59.238223 where: bonds (distance) C4'-P energy: -9.128 bonds (distance) P-C4' energy: -16.272 flat angles C4'-P-C4' energy: -12.915 flat angles P-C4'-P energy: -11.639 tors. eta vs tors. theta energy: -9.285 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: 10 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -166.790431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.790431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.790431 (E_RNA) where: Base-Base interactions energy: -111.472 where: short stacking energy: -39.725 Base-Backbone interact. energy: -0.299 local terms energy: -55.018894 where: bonds (distance) C4'-P energy: -10.761 bonds (distance) P-C4' energy: -14.913 flat angles C4'-P-C4' energy: -13.849 flat angles P-C4'-P energy: -3.655 tors. eta vs tors. theta energy: -11.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -88.382083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.382083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.382083 (E_RNA) where: Base-Base interactions energy: -42.845 where: short stacking energy: -33.313 Base-Backbone interact. energy: 0.615 local terms energy: -46.151676 where: bonds (distance) C4'-P energy: -15.577 bonds (distance) P-C4' energy: -9.398 flat angles C4'-P-C4' energy: -4.764 flat angles P-C4'-P energy: -9.484 tors. eta vs tors. theta energy: -6.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -81.403427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.403427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.403427 (E_RNA) where: Base-Base interactions energy: -40.415 where: short stacking energy: -25.510 Base-Backbone interact. energy: -0.050 local terms energy: -40.938027 where: bonds (distance) C4'-P energy: -13.118 bonds (distance) P-C4' energy: -13.936 flat angles C4'-P-C4' energy: -10.115 flat angles P-C4'-P energy: -5.105 tors. eta vs tors. theta energy: 1.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -75.655094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.655094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.655094 (E_RNA) where: Base-Base interactions energy: -25.135 where: short stacking energy: -25.135 Base-Backbone interact. energy: -0.061 local terms energy: -50.459541 where: bonds (distance) C4'-P energy: -16.617 bonds (distance) P-C4' energy: -15.554 flat angles C4'-P-C4' energy: -10.545 flat angles P-C4'-P energy: -6.925 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: 1, replica: 4 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -202.657715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.657715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.657715 (E_RNA) where: Base-Base interactions energy: -133.995 where: short stacking energy: -62.372 Base-Backbone interact. energy: -0.005 local terms energy: -68.657107 where: bonds (distance) C4'-P energy: -13.284 bonds (distance) P-C4' energy: -13.450 flat angles C4'-P-C4' energy: -17.508 flat angles P-C4'-P energy: -7.992 tors. eta vs tors. theta energy: -16.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -211.354985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.354985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.354985 (E_RNA) where: Base-Base interactions energy: -142.394 where: short stacking energy: -56.704 Base-Backbone interact. energy: -0.540 local terms energy: -68.421252 where: bonds (distance) C4'-P energy: -16.870 bonds (distance) P-C4' energy: -14.544 flat angles C4'-P-C4' energy: -12.283 flat angles P-C4'-P energy: -9.481 tors. eta vs tors. theta energy: -15.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -213.236410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.236410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.236410 (E_RNA) where: Base-Base interactions energy: -139.126 where: short stacking energy: -60.994 Base-Backbone interact. energy: -0.001 local terms energy: -74.109656 where: bonds (distance) C4'-P energy: -13.545 bonds (distance) P-C4' energy: -14.606 flat angles C4'-P-C4' energy: -15.060 flat angles P-C4'-P energy: -12.489 tors. eta vs tors. theta energy: -18.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -182.476640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.476640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.476640 (E_RNA) where: Base-Base interactions energy: -126.802 where: short stacking energy: -46.249 Base-Backbone interact. energy: -0.051 local terms energy: -55.623878 where: bonds (distance) C4'-P energy: -8.012 bonds (distance) P-C4' energy: -15.561 flat angles C4'-P-C4' energy: -11.702 flat angles P-C4'-P energy: -10.115 tors. eta vs tors. theta energy: -10.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -181.195849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.195849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.195849 (E_RNA) where: Base-Base interactions energy: -112.132 where: short stacking energy: -52.600 Base-Backbone interact. energy: -0.431 local terms energy: -68.632699 where: bonds (distance) C4'-P energy: -14.257 bonds (distance) P-C4' energy: -14.306 flat angles C4'-P-C4' energy: -14.767 flat angles P-C4'-P energy: -10.425 tors. eta vs tors. theta energy: -14.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -166.451205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.451205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.451205 (E_RNA) where: Base-Base interactions energy: -103.577 where: short stacking energy: -50.479 Base-Backbone interact. energy: -0.319 local terms energy: -62.555153 where: bonds (distance) C4'-P energy: -11.948 bonds (distance) P-C4' energy: -15.392 flat angles C4'-P-C4' energy: -15.034 flat angles P-C4'-P energy: -6.937 tors. eta vs tors. theta energy: -13.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -166.037489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.037489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.037489 (E_RNA) where: Base-Base interactions energy: -118.686 where: short stacking energy: -52.765 Base-Backbone interact. energy: -0.180 local terms energy: -47.171161 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -6.447 flat angles C4'-P-C4' energy: -14.765 flat angles P-C4'-P energy: -9.989 tors. eta vs tors. theta energy: -7.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -77.058601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.058601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.058601 (E_RNA) where: Base-Base interactions energy: -30.877 where: short stacking energy: -26.458 Base-Backbone interact. energy: -0.565 local terms energy: -45.617269 where: bonds (distance) C4'-P energy: -11.272 bonds (distance) P-C4' energy: -15.702 flat angles C4'-P-C4' energy: -10.953 flat angles P-C4'-P energy: -8.095 tors. eta vs tors. theta energy: 0.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -89.457475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.457475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.457475 (E_RNA) where: Base-Base interactions energy: -41.400 where: short stacking energy: -31.648 Base-Backbone interact. energy: 1.872 local terms energy: -49.929713 where: bonds (distance) C4'-P energy: -10.034 bonds (distance) P-C4' energy: -15.508 flat angles C4'-P-C4' energy: -11.094 flat angles P-C4'-P energy: -10.729 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: 10, replica: 6 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -77.732712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.732712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.732712 (E_RNA) where: Base-Base interactions energy: -35.545 where: short stacking energy: -24.454 Base-Backbone interact. energy: -0.205 local terms energy: -41.982321 where: bonds (distance) C4'-P energy: -4.594 bonds (distance) P-C4' energy: -13.908 flat angles C4'-P-C4' energy: -10.383 flat angles P-C4'-P energy: -7.573 tors. eta vs tors. theta energy: -5.524 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: 4 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -212.216541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.216541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.216541 (E_RNA) where: Base-Base interactions energy: -143.502 where: short stacking energy: -68.604 Base-Backbone interact. energy: -0.027 local terms energy: -68.687380 where: bonds (distance) C4'-P energy: -14.262 bonds (distance) P-C4' energy: -13.787 flat angles C4'-P-C4' energy: -16.479 flat angles P-C4'-P energy: -8.444 tors. eta vs tors. theta energy: -15.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -214.423279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.423279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.423279 (E_RNA) where: Base-Base interactions energy: -146.220 where: short stacking energy: -62.887 Base-Backbone interact. energy: -0.166 local terms energy: -68.036585 where: bonds (distance) C4'-P energy: -14.758 bonds (distance) P-C4' energy: -16.342 flat angles C4'-P-C4' energy: -14.338 flat angles P-C4'-P energy: -7.947 tors. eta vs tors. theta energy: -14.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -188.005605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.005605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.005605 (E_RNA) where: Base-Base interactions energy: -133.222 where: short stacking energy: -50.852 Base-Backbone interact. energy: -0.276 local terms energy: -54.507598 where: bonds (distance) C4'-P energy: -12.921 bonds (distance) P-C4' energy: -13.439 flat angles C4'-P-C4' energy: -10.858 flat angles P-C4'-P energy: -6.567 tors. eta vs tors. theta energy: -10.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -191.598179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.598179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.598179 (E_RNA) where: Base-Base interactions energy: -129.603 where: short stacking energy: -47.015 Base-Backbone interact. energy: -0.244 local terms energy: -61.750839 where: bonds (distance) C4'-P energy: -15.657 bonds (distance) P-C4' energy: -16.318 flat angles C4'-P-C4' energy: -9.200 flat angles P-C4'-P energy: -6.166 tors. eta vs tors. theta energy: -14.409 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: 2 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -184.036555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.036555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.036555 (E_RNA) where: Base-Base interactions energy: -124.118 where: short stacking energy: -48.642 Base-Backbone interact. energy: 0.070 local terms energy: -59.988510 where: bonds (distance) C4'-P energy: -13.864 bonds (distance) P-C4' energy: -14.064 flat angles C4'-P-C4' energy: -14.298 flat angles P-C4'-P energy: -8.396 tors. eta vs tors. theta energy: -9.367 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: 10 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -172.531618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.531618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.531618 (E_RNA) where: Base-Base interactions energy: -120.448 where: short stacking energy: -41.881 Base-Backbone interact. energy: -1.535 local terms energy: -50.549392 where: bonds (distance) C4'-P energy: -16.011 bonds (distance) P-C4' energy: -13.224 flat angles C4'-P-C4' energy: -14.192 flat angles P-C4'-P energy: -2.875 tors. eta vs tors. theta energy: -4.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -153.630190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.630190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.630190 (E_RNA) where: Base-Base interactions energy: -94.710 where: short stacking energy: -46.835 Base-Backbone interact. energy: -0.059 local terms energy: -58.861929 where: bonds (distance) C4'-P energy: -12.423 bonds (distance) P-C4' energy: -15.634 flat angles C4'-P-C4' energy: -13.885 flat angles P-C4'-P energy: -8.902 tors. eta vs tors. theta energy: -8.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -83.930380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.930380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.930380 (E_RNA) where: Base-Base interactions energy: -32.987 where: short stacking energy: -20.520 Base-Backbone interact. energy: 0.985 local terms energy: -51.928406 where: bonds (distance) C4'-P energy: -10.418 bonds (distance) P-C4' energy: -17.809 flat angles C4'-P-C4' energy: -13.696 flat angles P-C4'-P energy: -12.869 tors. eta vs tors. theta energy: 2.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -77.608076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.608076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.608076 (E_RNA) where: Base-Base interactions energy: -31.896 where: short stacking energy: -29.565 Base-Backbone interact. energy: -0.832 local terms energy: -44.879852 where: bonds (distance) C4'-P energy: -14.208 bonds (distance) P-C4' energy: -13.342 flat angles C4'-P-C4' energy: -10.852 flat angles P-C4'-P energy: -7.502 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: 6 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -99.133717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.133717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.133717 (E_RNA) where: Base-Base interactions energy: -37.869 where: short stacking energy: -37.259 Base-Backbone interact. energy: -0.016 local terms energy: -61.248655 where: bonds (distance) C4'-P energy: -12.828 bonds (distance) P-C4' energy: -17.560 flat angles C4'-P-C4' energy: -13.550 flat angles P-C4'-P energy: -7.695 tors. eta vs tors. theta energy: -9.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -210.000698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.000698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.000698 (E_RNA) where: Base-Base interactions energy: -135.990 where: short stacking energy: -61.974 Base-Backbone interact. energy: -0.103 local terms energy: -73.908238 where: bonds (distance) C4'-P energy: -16.427 bonds (distance) P-C4' energy: -14.186 flat angles C4'-P-C4' energy: -14.118 flat angles P-C4'-P energy: -11.559 tors. eta vs tors. theta energy: -17.619 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: 2, replica: 1 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -211.515414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.515414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.515414 (E_RNA) where: Base-Base interactions energy: -139.812 where: short stacking energy: -65.027 Base-Backbone interact. energy: -0.416 local terms energy: -71.287459 where: bonds (distance) C4'-P energy: -16.907 bonds (distance) P-C4' energy: -15.163 flat angles C4'-P-C4' energy: -15.363 flat angles P-C4'-P energy: -6.961 tors. eta vs tors. theta energy: -16.895 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: 7 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -188.048728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.048728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.048728 (E_RNA) where: Base-Base interactions energy: -122.050 where: short stacking energy: -49.905 Base-Backbone interact. energy: -0.045 local terms energy: -65.953677 where: bonds (distance) C4'-P energy: -12.964 bonds (distance) P-C4' energy: -15.079 flat angles C4'-P-C4' energy: -14.161 flat angles P-C4'-P energy: -8.242 tors. eta vs tors. theta energy: -15.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -185.731364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.731364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.731364 (E_RNA) where: Base-Base interactions energy: -121.700 where: short stacking energy: -53.566 Base-Backbone interact. energy: -0.016 local terms energy: -64.014799 where: bonds (distance) C4'-P energy: -11.649 bonds (distance) P-C4' energy: -15.529 flat angles C4'-P-C4' energy: -13.976 flat angles P-C4'-P energy: -10.839 tors. eta vs tors. theta energy: -12.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -184.554884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.554884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.554884 (E_RNA) where: Base-Base interactions energy: -122.532 where: short stacking energy: -54.621 Base-Backbone interact. energy: -0.851 local terms energy: -61.172025 where: bonds (distance) C4'-P energy: -12.821 bonds (distance) P-C4' energy: -11.839 flat angles C4'-P-C4' energy: -14.608 flat angles P-C4'-P energy: -11.692 tors. eta vs tors. theta energy: -10.212 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: 6, replica: 2 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -177.761800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.761800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.761800 (E_RNA) where: Base-Base interactions energy: -116.137 where: short stacking energy: -56.748 Base-Backbone interact. energy: -0.059 local terms energy: -61.566134 where: bonds (distance) C4'-P energy: -10.946 bonds (distance) P-C4' energy: -13.822 flat angles C4'-P-C4' energy: -15.119 flat angles P-C4'-P energy: -8.515 tors. eta vs tors. theta energy: -13.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -163.484302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.484302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.484302 (E_RNA) where: Base-Base interactions energy: -98.370 where: short stacking energy: -48.924 Base-Backbone interact. energy: -0.125 local terms energy: -64.989167 where: bonds (distance) C4'-P energy: -16.029 bonds (distance) P-C4' energy: -17.101 flat angles C4'-P-C4' energy: -13.386 flat angles P-C4'-P energy: -7.684 tors. eta vs tors. theta energy: -10.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -89.387293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.387293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.387293 (E_RNA) where: Base-Base interactions energy: -43.702 where: short stacking energy: -37.198 Base-Backbone interact. energy: -0.871 local terms energy: -44.814617 where: bonds (distance) C4'-P energy: -11.881 bonds (distance) P-C4' energy: -14.415 flat angles C4'-P-C4' energy: -6.264 flat angles P-C4'-P energy: -4.118 tors. eta vs tors. theta energy: -8.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -79.357551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.357551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.357551 (E_RNA) where: Base-Base interactions energy: -33.497 where: short stacking energy: -21.558 Base-Backbone interact. energy: -0.341 local terms energy: -45.520079 where: bonds (distance) C4'-P energy: -11.714 bonds (distance) P-C4' energy: -14.744 flat angles C4'-P-C4' energy: -10.747 flat angles P-C4'-P energy: -5.763 tors. eta vs tors. theta energy: -2.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -76.383445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.383445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.383445 (E_RNA) where: Base-Base interactions energy: -27.310 where: short stacking energy: -26.808 Base-Backbone interact. energy: -0.114 local terms energy: -48.960279 where: bonds (distance) C4'-P energy: -12.365 bonds (distance) P-C4' energy: -12.538 flat angles C4'-P-C4' energy: -15.513 flat angles P-C4'-P energy: -8.338 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: 4 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -201.808513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.808513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.808513 (E_RNA) where: Base-Base interactions energy: -130.887 where: short stacking energy: -51.842 Base-Backbone interact. energy: -0.073 local terms energy: -70.848345 where: bonds (distance) C4'-P energy: -16.861 bonds (distance) P-C4' energy: -15.330 flat angles C4'-P-C4' energy: -15.901 flat angles P-C4'-P energy: -8.663 tors. eta vs tors. theta energy: -14.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -218.642863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.642863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.642863 (E_RNA) where: Base-Base interactions energy: -141.985 where: short stacking energy: -65.333 Base-Backbone interact. energy: -0.279 local terms energy: -76.378252 where: bonds (distance) C4'-P energy: -15.793 bonds (distance) P-C4' energy: -15.508 flat angles C4'-P-C4' energy: -14.974 flat angles P-C4'-P energy: -11.305 tors. eta vs tors. theta energy: -18.797 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: 3, replica: 7 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -192.358168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.358168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.358168 (E_RNA) where: Base-Base interactions energy: -132.666 where: short stacking energy: -54.318 Base-Backbone interact. energy: -0.183 local terms energy: -59.509204 where: bonds (distance) C4'-P energy: -15.139 bonds (distance) P-C4' energy: -16.215 flat angles C4'-P-C4' energy: -9.061 flat angles P-C4'-P energy: -8.923 tors. eta vs tors. theta energy: -10.171 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: 107 Temperature: 1.050000 Total energy: -198.222481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.222481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.222481 (E_RNA) where: Base-Base interactions energy: -134.391 where: short stacking energy: -53.171 Base-Backbone interact. energy: 0.489 local terms energy: -64.320862 where: bonds (distance) C4'-P energy: -14.833 bonds (distance) P-C4' energy: -13.262 flat angles C4'-P-C4' energy: -17.560 flat angles P-C4'-P energy: -8.099 tors. eta vs tors. theta energy: -10.567 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: 10 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -172.666148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.666148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.666148 (E_RNA) where: Base-Base interactions energy: -113.731 where: short stacking energy: -51.196 Base-Backbone interact. energy: -0.278 local terms energy: -58.656562 where: bonds (distance) C4'-P energy: -8.718 bonds (distance) P-C4' energy: -13.529 flat angles C4'-P-C4' energy: -11.676 flat angles P-C4'-P energy: -8.064 tors. eta vs tors. theta energy: -16.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -170.322839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.322839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.322839 (E_RNA) where: Base-Base interactions energy: -114.659 where: short stacking energy: -45.682 Base-Backbone interact. energy: -0.088 local terms energy: -55.575343 where: bonds (distance) C4'-P energy: -13.711 bonds (distance) P-C4' energy: -12.425 flat angles C4'-P-C4' energy: -11.203 flat angles P-C4'-P energy: -9.527 tors. eta vs tors. theta energy: -8.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -162.695211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.695211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.695211 (E_RNA) where: Base-Base interactions energy: -106.721 where: short stacking energy: -49.421 Base-Backbone interact. energy: -0.397 local terms energy: -55.576807 where: bonds (distance) C4'-P energy: -11.143 bonds (distance) P-C4' energy: -11.470 flat angles C4'-P-C4' energy: -12.123 flat angles P-C4'-P energy: -8.428 tors. eta vs tors. theta energy: -12.413 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: 8, replica: 6 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -95.414893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.414893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.414893 (E_RNA) where: Base-Base interactions energy: -52.207 where: short stacking energy: -30.886 Base-Backbone interact. energy: -0.353 local terms energy: -42.855224 where: bonds (distance) C4'-P energy: -10.937 bonds (distance) P-C4' energy: -9.908 flat angles C4'-P-C4' energy: -9.034 flat angles P-C4'-P energy: -8.713 tors. eta vs tors. theta energy: -4.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -95.916588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.916588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.916588 (E_RNA) where: Base-Base interactions energy: -48.482 where: short stacking energy: -17.852 Base-Backbone interact. energy: -0.377 local terms energy: -47.057505 where: bonds (distance) C4'-P energy: -15.953 bonds (distance) P-C4' energy: -13.554 flat angles C4'-P-C4' energy: -10.670 flat angles P-C4'-P energy: -8.032 tors. eta vs tors. theta energy: 1.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -79.144781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.144781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.144781 (E_RNA) where: Base-Base interactions energy: -35.602 where: short stacking energy: -31.332 Base-Backbone interact. energy: -0.355 local terms energy: -43.187992 where: bonds (distance) C4'-P energy: -9.827 bonds (distance) P-C4' energy: -14.400 flat angles C4'-P-C4' energy: -6.062 flat angles P-C4'-P energy: -8.102 tors. eta vs tors. theta energy: -4.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -219.788891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.788891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.788891 (E_RNA) where: Base-Base interactions energy: -151.084 where: short stacking energy: -69.578 Base-Backbone interact. energy: -0.100 local terms energy: -68.604301 where: bonds (distance) C4'-P energy: -9.935 bonds (distance) P-C4' energy: -17.299 flat angles C4'-P-C4' energy: -16.702 flat angles P-C4'-P energy: -8.817 tors. eta vs tors. theta energy: -15.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -197.343243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.343243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.343243 (E_RNA) where: Base-Base interactions energy: -134.010 where: short stacking energy: -57.044 Base-Backbone interact. energy: -0.001 local terms energy: -63.332197 where: bonds (distance) C4'-P energy: -13.440 bonds (distance) P-C4' energy: -16.446 flat angles C4'-P-C4' energy: -14.461 flat angles P-C4'-P energy: -5.084 tors. eta vs tors. theta energy: -13.902 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: 7 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -197.875770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.875770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.875770 (E_RNA) where: Base-Base interactions energy: -131.774 where: short stacking energy: -51.768 Base-Backbone interact. energy: -0.120 local terms energy: -65.981945 where: bonds (distance) C4'-P energy: -13.479 bonds (distance) P-C4' energy: -14.445 flat angles C4'-P-C4' energy: -12.354 flat angles P-C4'-P energy: -11.563 tors. eta vs tors. theta energy: -14.141 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: 8 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -194.609221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.609221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.609221 (E_RNA) where: Base-Base interactions energy: -130.405 where: short stacking energy: -58.558 Base-Backbone interact. energy: -0.389 local terms energy: -63.815551 where: bonds (distance) C4'-P energy: -11.857 bonds (distance) P-C4' energy: -13.212 flat angles C4'-P-C4' energy: -11.269 flat angles P-C4'-P energy: -10.718 tors. eta vs tors. theta energy: -16.760 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: 10 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -177.028926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.028926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.028926 (E_RNA) where: Base-Base interactions energy: -117.640 where: short stacking energy: -50.817 Base-Backbone interact. energy: -0.084 local terms energy: -59.304508 where: bonds (distance) C4'-P energy: -14.120 bonds (distance) P-C4' energy: -13.799 flat angles C4'-P-C4' energy: -13.305 flat angles P-C4'-P energy: -5.225 tors. eta vs tors. theta energy: -12.856 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: 9 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -180.232871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.232871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.232871 (E_RNA) where: Base-Base interactions energy: -125.309 where: short stacking energy: -52.075 Base-Backbone interact. energy: -0.002 local terms energy: -54.921466 where: bonds (distance) C4'-P energy: -10.403 bonds (distance) P-C4' energy: -12.958 flat angles C4'-P-C4' energy: -10.822 flat angles P-C4'-P energy: -8.316 tors. eta vs tors. theta energy: -12.423 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: 7, replica: 2 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -168.655449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.655449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.655449 (E_RNA) where: Base-Base interactions energy: -111.587 where: short stacking energy: -52.197 Base-Backbone interact. energy: -0.012 local terms energy: -57.056600 where: bonds (distance) C4'-P energy: -14.327 bonds (distance) P-C4' energy: -10.831 flat angles C4'-P-C4' energy: -14.049 flat angles P-C4'-P energy: -9.230 tors. eta vs tors. theta energy: -8.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -93.565272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.565272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.565272 (E_RNA) where: Base-Base interactions energy: -45.728 where: short stacking energy: -32.825 Base-Backbone interact. energy: -0.094 local terms energy: -47.742676 where: bonds (distance) C4'-P energy: -11.636 bonds (distance) P-C4' energy: -10.790 flat angles C4'-P-C4' energy: -14.335 flat angles P-C4'-P energy: -8.373 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: 9, replica: 5 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -96.379026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.379026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.379026 (E_RNA) where: Base-Base interactions energy: -45.227 where: short stacking energy: -19.646 Base-Backbone interact. energy: -0.448 local terms energy: -50.703624 where: bonds (distance) C4'-P energy: -15.975 bonds (distance) P-C4' energy: -14.250 flat angles C4'-P-C4' energy: -13.500 flat angles P-C4'-P energy: -8.966 tors. eta vs tors. theta energy: 1.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -74.703619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.703619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.703619 (E_RNA) where: Base-Base interactions energy: -38.645 where: short stacking energy: -26.688 Base-Backbone interact. energy: -0.272 local terms energy: -35.785979 where: bonds (distance) C4'-P energy: -11.062 bonds (distance) P-C4' energy: -13.128 flat angles C4'-P-C4' energy: -9.904 flat angles P-C4'-P energy: -2.845 tors. eta vs tors. theta energy: 1.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -206.575770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.575770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.575770 (E_RNA) where: Base-Base interactions energy: -135.374 where: short stacking energy: -65.192 Base-Backbone interact. energy: -0.773 local terms energy: -70.428898 where: bonds (distance) C4'-P energy: -10.113 bonds (distance) P-C4' energy: -16.281 flat angles C4'-P-C4' energy: -16.503 flat angles P-C4'-P energy: -9.209 tors. eta vs tors. theta energy: -18.322 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: 7 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -195.825543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.825543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.825543 (E_RNA) where: Base-Base interactions energy: -130.490 where: short stacking energy: -54.117 Base-Backbone interact. energy: 0.587 local terms energy: -65.923098 where: bonds (distance) C4'-P energy: -13.284 bonds (distance) P-C4' energy: -16.442 flat angles C4'-P-C4' energy: -15.469 flat angles P-C4'-P energy: -7.211 tors. eta vs tors. theta energy: -13.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -199.787928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.787928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.787928 (E_RNA) where: Base-Base interactions energy: -135.181 where: short stacking energy: -60.835 Base-Backbone interact. energy: -0.043 local terms energy: -64.564482 where: bonds (distance) C4'-P energy: -11.404 bonds (distance) P-C4' energy: -10.638 flat angles C4'-P-C4' energy: -15.877 flat angles P-C4'-P energy: -10.972 tors. eta vs tors. theta energy: -15.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -192.341947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.341947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.341947 (E_RNA) where: Base-Base interactions energy: -128.388 where: short stacking energy: -62.609 Base-Backbone interact. energy: -0.087 local terms energy: -63.866820 where: bonds (distance) C4'-P energy: -11.968 bonds (distance) P-C4' energy: -9.160 flat angles C4'-P-C4' energy: -17.323 flat angles P-C4'-P energy: -7.391 tors. eta vs tors. theta energy: -18.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -166.548051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.548051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.548051 (E_RNA) where: Base-Base interactions energy: -110.722 where: short stacking energy: -43.735 Base-Backbone interact. energy: -0.334 local terms energy: -55.491903 where: bonds (distance) C4'-P energy: -12.423 bonds (distance) P-C4' energy: -12.726 flat angles C4'-P-C4' energy: -14.572 flat angles P-C4'-P energy: -5.472 tors. eta vs tors. theta energy: -10.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -178.657528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.657528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.657528 (E_RNA) where: Base-Base interactions energy: -114.170 where: short stacking energy: -56.354 Base-Backbone interact. energy: -0.302 local terms energy: -64.185012 where: bonds (distance) C4'-P energy: -13.003 bonds (distance) P-C4' energy: -12.565 flat angles C4'-P-C4' energy: -13.383 flat angles P-C4'-P energy: -9.639 tors. eta vs tors. theta energy: -15.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -176.232191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.232191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.232191 (E_RNA) where: Base-Base interactions energy: -119.086 where: short stacking energy: -55.089 Base-Backbone interact. energy: -0.461 local terms energy: -56.684958 where: bonds (distance) C4'-P energy: -12.394 bonds (distance) P-C4' energy: -11.131 flat angles C4'-P-C4' energy: -13.852 flat angles P-C4'-P energy: -5.295 tors. eta vs tors. theta energy: -14.013 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: 8, replica: 6 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -92.320409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.320409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.320409 (E_RNA) where: Base-Base interactions energy: -40.362 where: short stacking energy: -40.362 Base-Backbone interact. energy: -0.288 local terms energy: -51.670577 where: bonds (distance) C4'-P energy: -16.231 bonds (distance) P-C4' energy: -12.928 flat angles C4'-P-C4' energy: -9.420 flat angles P-C4'-P energy: -6.403 tors. eta vs tors. theta energy: -6.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -106.653542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.653542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.653542 (E_RNA) where: Base-Base interactions energy: -52.502 where: short stacking energy: -32.517 Base-Backbone interact. energy: -0.021 local terms energy: -54.130560 where: bonds (distance) C4'-P energy: -11.529 bonds (distance) P-C4' energy: -13.741 flat angles C4'-P-C4' energy: -11.501 flat angles P-C4'-P energy: -11.164 tors. eta vs tors. theta energy: -6.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -80.298007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.298007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.298007 (E_RNA) where: Base-Base interactions energy: -39.504 where: short stacking energy: -21.465 Base-Backbone interact. energy: -0.121 local terms energy: -40.672921 where: bonds (distance) C4'-P energy: -11.168 bonds (distance) P-C4' energy: -15.248 flat angles C4'-P-C4' energy: -11.391 flat angles P-C4'-P energy: -3.047 tors. eta vs tors. theta energy: 0.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -208.469050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.469050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.469050 (E_RNA) where: Base-Base interactions energy: -142.912 where: short stacking energy: -58.478 Base-Backbone interact. energy: -0.165 local terms energy: -65.392925 where: bonds (distance) C4'-P energy: -13.967 bonds (distance) P-C4' energy: -14.901 flat angles C4'-P-C4' energy: -14.600 flat angles P-C4'-P energy: -7.479 tors. eta vs tors. theta energy: -14.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -209.291580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.291580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.291580 (E_RNA) where: Base-Base interactions energy: -137.578 where: short stacking energy: -62.561 Base-Backbone interact. energy: -0.238 local terms energy: -71.475481 where: bonds (distance) C4'-P energy: -16.259 bonds (distance) P-C4' energy: -14.701 flat angles C4'-P-C4' energy: -14.512 flat angles P-C4'-P energy: -10.066 tors. eta vs tors. theta energy: -15.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -194.164978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.164978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.164978 (E_RNA) where: Base-Base interactions energy: -120.925 where: short stacking energy: -66.766 Base-Backbone interact. energy: -0.034 local terms energy: -73.206104 where: bonds (distance) C4'-P energy: -14.386 bonds (distance) P-C4' energy: -14.940 flat angles C4'-P-C4' energy: -16.113 flat angles P-C4'-P energy: -10.794 tors. eta vs tors. theta energy: -16.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -202.829278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.829278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.829278 (E_RNA) where: Base-Base interactions energy: -124.462 where: short stacking energy: -59.093 Base-Backbone interact. energy: -0.881 local terms energy: -77.486212 where: bonds (distance) C4'-P energy: -16.745 bonds (distance) P-C4' energy: -16.153 flat angles C4'-P-C4' energy: -15.671 flat angles P-C4'-P energy: -9.914 tors. eta vs tors. theta energy: -19.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -188.783506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.783506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.783506 (E_RNA) where: Base-Base interactions energy: -126.693 where: short stacking energy: -44.064 Base-Backbone interact. energy: -0.080 local terms energy: -62.010169 where: bonds (distance) C4'-P energy: -14.311 bonds (distance) P-C4' energy: -14.974 flat angles C4'-P-C4' energy: -15.665 flat angles P-C4'-P energy: -7.157 tors. eta vs tors. theta energy: -9.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -185.285594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.285594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.285594 (E_RNA) where: Base-Base interactions energy: -128.472 where: short stacking energy: -65.399 Base-Backbone interact. energy: -0.078 local terms energy: -56.735545 where: bonds (distance) C4'-P energy: -9.480 bonds (distance) P-C4' energy: -13.255 flat angles C4'-P-C4' energy: -13.280 flat angles P-C4'-P energy: -2.548 tors. eta vs tors. theta energy: -18.172 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: 9 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -162.838482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.838482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.838482 (E_RNA) where: Base-Base interactions energy: -105.909 where: short stacking energy: -52.462 Base-Backbone interact. energy: -0.085 local terms energy: -56.844905 where: bonds (distance) C4'-P energy: -13.288 bonds (distance) P-C4' energy: -10.098 flat angles C4'-P-C4' energy: -13.720 flat angles P-C4'-P energy: -8.216 tors. eta vs tors. theta energy: -11.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -88.882849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.882849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.882849 (E_RNA) where: Base-Base interactions energy: -33.878 where: short stacking energy: -32.057 Base-Backbone interact. energy: -0.125 local terms energy: -54.879210 where: bonds (distance) C4'-P energy: -16.439 bonds (distance) P-C4' energy: -12.205 flat angles C4'-P-C4' energy: -14.815 flat angles P-C4'-P energy: -8.931 tors. eta vs tors. theta energy: -2.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -78.287714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.287714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.287714 (E_RNA) where: Base-Base interactions energy: -42.299 where: short stacking energy: -34.719 Base-Backbone interact. energy: -0.121 local terms energy: -35.867404 where: bonds (distance) C4'-P energy: -11.050 bonds (distance) P-C4' energy: -12.520 flat angles C4'-P-C4' energy: -8.066 flat angles P-C4'-P energy: -3.627 tors. eta vs tors. theta energy: -0.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -80.406503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.406503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.406503 (E_RNA) where: Base-Base interactions energy: -34.714 where: short stacking energy: -28.578 Base-Backbone interact. energy: 1.431 local terms energy: -47.123112 where: bonds (distance) C4'-P energy: -12.357 bonds (distance) P-C4' energy: -12.063 flat angles C4'-P-C4' energy: -11.082 flat angles P-C4'-P energy: -6.605 tors. eta vs tors. theta energy: -5.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -205.163881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.163881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.163881 (E_RNA) where: Base-Base interactions energy: -137.277 where: short stacking energy: -51.362 Base-Backbone interact. energy: 0.586 local terms energy: -68.473252 where: bonds (distance) C4'-P energy: -16.252 bonds (distance) P-C4' energy: -17.495 flat angles C4'-P-C4' energy: -13.985 flat angles P-C4'-P energy: -6.436 tors. eta vs tors. theta energy: -14.306 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: 4 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -199.231015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.231015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.231015 (E_RNA) where: Base-Base interactions energy: -132.004 where: short stacking energy: -50.729 Base-Backbone interact. energy: -0.465 local terms energy: -66.761206 where: bonds (distance) C4'-P energy: -16.169 bonds (distance) P-C4' energy: -12.281 flat angles C4'-P-C4' energy: -15.575 flat angles P-C4'-P energy: -8.597 tors. eta vs tors. theta energy: -14.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -210.933099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.933099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.933099 (E_RNA) where: Base-Base interactions energy: -140.756 where: short stacking energy: -61.249 Base-Backbone interact. energy: -0.244 local terms energy: -69.933706 where: bonds (distance) C4'-P energy: -15.494 bonds (distance) P-C4' energy: -16.005 flat angles C4'-P-C4' energy: -12.505 flat angles P-C4'-P energy: -10.312 tors. eta vs tors. theta energy: -15.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -199.555241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.555241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.555241 (E_RNA) where: Base-Base interactions energy: -137.830 where: short stacking energy: -65.324 Base-Backbone interact. energy: -0.007 local terms energy: -61.718627 where: bonds (distance) C4'-P energy: -9.628 bonds (distance) P-C4' energy: -13.948 flat angles C4'-P-C4' energy: -11.206 flat angles P-C4'-P energy: -10.921 tors. eta vs tors. theta energy: -16.016 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: 5, replica: 8 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -191.269737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.269737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.269737 (E_RNA) where: Base-Base interactions energy: -134.039 where: short stacking energy: -59.684 Base-Backbone interact. energy: 1.471 local terms energy: -58.701672 where: bonds (distance) C4'-P energy: -13.434 bonds (distance) P-C4' energy: -10.078 flat angles C4'-P-C4' energy: -14.021 flat angles P-C4'-P energy: -5.854 tors. eta vs tors. theta energy: -15.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -167.983463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.983463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.983463 (E_RNA) where: Base-Base interactions energy: -110.445 where: short stacking energy: -47.239 Base-Backbone interact. energy: -0.063 local terms energy: -57.475563 where: bonds (distance) C4'-P energy: -14.202 bonds (distance) P-C4' energy: -11.697 flat angles C4'-P-C4' energy: -11.045 flat angles P-C4'-P energy: -11.903 tors. eta vs tors. theta energy: -8.630 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: 7, replica: 2 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -164.685890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.685890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.685890 (E_RNA) where: Base-Base interactions energy: -108.738 where: short stacking energy: -45.673 Base-Backbone interact. energy: -0.105 local terms energy: -55.843790 where: bonds (distance) C4'-P energy: -14.958 bonds (distance) P-C4' energy: -9.893 flat angles C4'-P-C4' energy: -10.816 flat angles P-C4'-P energy: -8.752 tors. eta vs tors. theta energy: -11.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -89.831442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.831442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.831442 (E_RNA) where: Base-Base interactions energy: -40.412 where: short stacking energy: -36.726 Base-Backbone interact. energy: -0.036 local terms energy: -49.383712 where: bonds (distance) C4'-P energy: -8.556 bonds (distance) P-C4' energy: -13.768 flat angles C4'-P-C4' energy: -13.278 flat angles P-C4'-P energy: -8.894 tors. eta vs tors. theta energy: -4.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -83.144002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.144002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.144002 (E_RNA) where: Base-Base interactions energy: -26.052 where: short stacking energy: -26.948 Base-Backbone interact. energy: -0.120 local terms energy: -56.972700 where: bonds (distance) C4'-P energy: -14.604 bonds (distance) P-C4' energy: -15.569 flat angles C4'-P-C4' energy: -14.586 flat angles P-C4'-P energy: -6.592 tors. eta vs tors. theta energy: -5.621 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: 5 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -76.055304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.055304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.055304 (E_RNA) where: Base-Base interactions energy: -29.011 where: short stacking energy: -29.011 Base-Backbone interact. energy: -0.146 local terms energy: -46.898638 where: bonds (distance) C4'-P energy: -4.660 bonds (distance) P-C4' energy: -17.535 flat angles C4'-P-C4' energy: -12.970 flat angles P-C4'-P energy: -10.422 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: 1, replica: 7 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -208.324988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.324988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.324988 (E_RNA) where: Base-Base interactions energy: -147.116 where: short stacking energy: -58.939 Base-Backbone interact. energy: -0.270 local terms energy: -60.939252 where: bonds (distance) C4'-P energy: -14.742 bonds (distance) P-C4' energy: -12.626 flat angles C4'-P-C4' energy: -15.265 flat angles P-C4'-P energy: -6.145 tors. eta vs tors. theta energy: -12.162 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: 4 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -203.107501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.107501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.107501 (E_RNA) where: Base-Base interactions energy: -133.389 where: short stacking energy: -55.170 Base-Backbone interact. energy: -0.088 local terms energy: -69.630094 where: bonds (distance) C4'-P energy: -14.331 bonds (distance) P-C4' energy: -15.539 flat angles C4'-P-C4' energy: -14.181 flat angles P-C4'-P energy: -11.178 tors. eta vs tors. theta energy: -14.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -202.425791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.425791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.425791 (E_RNA) where: Base-Base interactions energy: -131.569 where: short stacking energy: -57.847 Base-Backbone interact. energy: -0.319 local terms energy: -70.537701 where: bonds (distance) C4'-P energy: -14.564 bonds (distance) P-C4' energy: -14.496 flat angles C4'-P-C4' energy: -15.538 flat angles P-C4'-P energy: -8.950 tors. eta vs tors. theta energy: -16.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -209.103387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.103387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.103387 (E_RNA) where: Base-Base interactions energy: -140.212 where: short stacking energy: -51.818 Base-Backbone interact. energy: -0.119 local terms energy: -68.772858 where: bonds (distance) C4'-P energy: -12.991 bonds (distance) P-C4' energy: -13.873 flat angles C4'-P-C4' energy: -15.591 flat angles P-C4'-P energy: -10.889 tors. eta vs tors. theta energy: -15.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -187.312343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.312343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.312343 (E_RNA) where: Base-Base interactions energy: -122.424 where: short stacking energy: -59.479 Base-Backbone interact. energy: -0.034 local terms energy: -64.854451 where: bonds (distance) C4'-P energy: -13.842 bonds (distance) P-C4' energy: -15.272 flat angles C4'-P-C4' energy: -9.214 flat angles P-C4'-P energy: -8.819 tors. eta vs tors. theta energy: -17.707 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: 6, replica: 8 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -171.336163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.336163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.336163 (E_RNA) where: Base-Base interactions energy: -118.116 where: short stacking energy: -50.868 Base-Backbone interact. energy: -0.074 local terms energy: -53.146668 where: bonds (distance) C4'-P energy: -13.002 bonds (distance) P-C4' energy: -10.256 flat angles C4'-P-C4' energy: -12.651 flat angles P-C4'-P energy: -5.840 tors. eta vs tors. theta energy: -11.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -158.660582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.660582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.660582 (E_RNA) where: Base-Base interactions energy: -98.540 where: short stacking energy: -36.817 Base-Backbone interact. energy: -0.677 local terms energy: -59.443357 where: bonds (distance) C4'-P energy: -14.787 bonds (distance) P-C4' energy: -13.226 flat angles C4'-P-C4' energy: -12.915 flat angles P-C4'-P energy: -8.637 tors. eta vs tors. theta energy: -9.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -80.170247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.170247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.170247 (E_RNA) where: Base-Base interactions energy: -31.167 where: short stacking energy: -25.531 Base-Backbone interact. energy: -0.140 local terms energy: -48.863461 where: bonds (distance) C4'-P energy: -8.718 bonds (distance) P-C4' energy: -13.653 flat angles C4'-P-C4' energy: -15.070 flat angles P-C4'-P energy: -7.953 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: 9, replica: 5 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -83.446547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.446547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.446547 (E_RNA) where: Base-Base interactions energy: -39.513 where: short stacking energy: -38.419 Base-Backbone interact. energy: -1.379 local terms energy: -42.554874 where: bonds (distance) C4'-P energy: -10.126 bonds (distance) P-C4' energy: -12.732 flat angles C4'-P-C4' energy: -11.319 flat angles P-C4'-P energy: -3.009 tors. eta vs tors. theta energy: -5.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -89.456563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.456563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.456563 (E_RNA) where: Base-Base interactions energy: -52.580 where: short stacking energy: -24.838 Base-Backbone interact. energy: -0.588 local terms energy: -36.288666 where: bonds (distance) C4'-P energy: -7.103 bonds (distance) P-C4' energy: -10.738 flat angles C4'-P-C4' energy: -11.207 flat angles P-C4'-P energy: -11.402 tors. eta vs tors. theta energy: 4.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -210.404977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.404977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.404977 (E_RNA) where: Base-Base interactions energy: -146.762 where: short stacking energy: -61.821 Base-Backbone interact. energy: -0.106 local terms energy: -63.536300 where: bonds (distance) C4'-P energy: -13.417 bonds (distance) P-C4' energy: -11.750 flat angles C4'-P-C4' energy: -13.530 flat angles P-C4'-P energy: -10.379 tors. eta vs tors. theta energy: -14.462 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: 10 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -202.219874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.219874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.219874 (E_RNA) where: Base-Base interactions energy: -129.325 where: short stacking energy: -57.335 Base-Backbone interact. energy: -0.145 local terms energy: -72.749872 where: bonds (distance) C4'-P energy: -15.329 bonds (distance) P-C4' energy: -14.748 flat angles C4'-P-C4' energy: -15.515 flat angles P-C4'-P energy: -9.517 tors. eta vs tors. theta energy: -17.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -194.028793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.028793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.028793 (E_RNA) where: Base-Base interactions energy: -130.401 where: short stacking energy: -47.623 Base-Backbone interact. energy: -0.307 local terms energy: -63.320192 where: bonds (distance) C4'-P energy: -13.904 bonds (distance) P-C4' energy: -17.069 flat angles C4'-P-C4' energy: -10.506 flat angles P-C4'-P energy: -12.594 tors. eta vs tors. theta energy: -9.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -221.617439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.617439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.617439 (E_RNA) where: Base-Base interactions energy: -147.668 where: short stacking energy: -56.209 Base-Backbone interact. energy: -0.659 local terms energy: -73.289919 where: bonds (distance) C4'-P energy: -15.743 bonds (distance) P-C4' energy: -14.845 flat angles C4'-P-C4' energy: -16.742 flat angles P-C4'-P energy: -10.003 tors. eta vs tors. theta energy: -15.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -170.403273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.403273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.403273 (E_RNA) where: Base-Base interactions energy: -111.283 where: short stacking energy: -53.768 Base-Backbone interact. energy: 0.447 local terms energy: -59.567240 where: bonds (distance) C4'-P energy: -16.373 bonds (distance) P-C4' energy: -12.219 flat angles C4'-P-C4' energy: -14.037 flat angles P-C4'-P energy: -7.941 tors. eta vs tors. theta energy: -8.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -175.098070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.098070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.098070 (E_RNA) where: Base-Base interactions energy: -112.618 where: short stacking energy: -48.735 Base-Backbone interact. energy: -0.348 local terms energy: -62.132472 where: bonds (distance) C4'-P energy: -16.898 bonds (distance) P-C4' energy: -11.004 flat angles C4'-P-C4' energy: -14.599 flat angles P-C4'-P energy: -9.122 tors. eta vs tors. theta energy: -10.509 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: 8 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -160.456876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.456876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.456876 (E_RNA) where: Base-Base interactions energy: -102.321 where: short stacking energy: -47.575 Base-Backbone interact. energy: -0.103 local terms energy: -58.033267 where: bonds (distance) C4'-P energy: -13.445 bonds (distance) P-C4' energy: -14.612 flat angles C4'-P-C4' energy: -13.724 flat angles P-C4'-P energy: -7.141 tors. eta vs tors. theta energy: -9.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -87.980314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.980314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.980314 (E_RNA) where: Base-Base interactions energy: -41.953 where: short stacking energy: -29.366 Base-Backbone interact. energy: -0.033 local terms energy: -45.994372 where: bonds (distance) C4'-P energy: -12.912 bonds (distance) P-C4' energy: -6.689 flat angles C4'-P-C4' energy: -12.058 flat angles P-C4'-P energy: -11.763 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: 9, replica: 6 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -81.203472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.203472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.203472 (E_RNA) where: Base-Base interactions energy: -33.220 where: short stacking energy: -23.602 Base-Backbone interact. energy: -0.222 local terms energy: -47.760890 where: bonds (distance) C4'-P energy: -15.834 bonds (distance) P-C4' energy: -14.688 flat angles C4'-P-C4' energy: -8.681 flat angles P-C4'-P energy: -7.206 tors. eta vs tors. theta energy: -1.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -74.693981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.693981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.693981 (E_RNA) where: Base-Base interactions energy: -30.761 where: short stacking energy: -8.721 Base-Backbone interact. energy: -0.256 local terms energy: -43.676607 where: bonds (distance) C4'-P energy: -7.727 bonds (distance) P-C4' energy: -15.068 flat angles C4'-P-C4' energy: -15.317 flat angles P-C4'-P energy: -10.341 tors. eta vs tors. theta energy: 4.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -205.513502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.513502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.513502 (E_RNA) where: Base-Base interactions energy: -134.540 where: short stacking energy: -67.171 Base-Backbone interact. energy: -0.157 local terms energy: -70.816379 where: bonds (distance) C4'-P energy: -13.716 bonds (distance) P-C4' energy: -13.521 flat angles C4'-P-C4' energy: -16.366 flat angles P-C4'-P energy: -10.630 tors. eta vs tors. theta energy: -16.584 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: 114 Temperature: 0.950000 Total energy: -207.397717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.397717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.397717 (E_RNA) where: Base-Base interactions energy: -145.428 where: short stacking energy: -58.881 Base-Backbone interact. energy: -0.298 local terms energy: -61.671641 where: bonds (distance) C4'-P energy: -14.874 bonds (distance) P-C4' energy: -9.365 flat angles C4'-P-C4' energy: -15.216 flat angles P-C4'-P energy: -8.770 tors. eta vs tors. theta energy: -13.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -209.099069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.099069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.099069 (E_RNA) where: Base-Base interactions energy: -136.285 where: short stacking energy: -58.924 Base-Backbone interact. energy: -0.699 local terms energy: -72.115174 where: bonds (distance) C4'-P energy: -15.085 bonds (distance) P-C4' energy: -16.022 flat angles C4'-P-C4' energy: -15.416 flat angles P-C4'-P energy: -9.670 tors. eta vs tors. theta energy: -15.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -195.328536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.328536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.328536 (E_RNA) where: Base-Base interactions energy: -136.237 where: short stacking energy: -55.538 Base-Backbone interact. energy: -0.694 local terms energy: -58.397499 where: bonds (distance) C4'-P energy: -7.090 bonds (distance) P-C4' energy: -16.041 flat angles C4'-P-C4' energy: -12.289 flat angles P-C4'-P energy: -11.978 tors. eta vs tors. theta energy: -10.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -182.891508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.891508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.891508 (E_RNA) where: Base-Base interactions energy: -121.731 where: short stacking energy: -55.977 Base-Backbone interact. energy: -0.053 local terms energy: -61.107320 where: bonds (distance) C4'-P energy: -11.144 bonds (distance) P-C4' energy: -14.465 flat angles C4'-P-C4' energy: -10.946 flat angles P-C4'-P energy: -8.548 tors. eta vs tors. theta energy: -16.005 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: 9 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -175.020821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.020821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.020821 (E_RNA) where: Base-Base interactions energy: -111.164 where: short stacking energy: -60.217 Base-Backbone interact. energy: 0.929 local terms energy: -64.785569 where: bonds (distance) C4'-P energy: -14.874 bonds (distance) P-C4' energy: -9.473 flat angles C4'-P-C4' energy: -14.630 flat angles P-C4'-P energy: -8.489 tors. eta vs tors. theta energy: -17.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -186.141286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.141286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.141286 (E_RNA) where: Base-Base interactions energy: -122.826 where: short stacking energy: -47.872 Base-Backbone interact. energy: -1.011 local terms energy: -62.303783 where: bonds (distance) C4'-P energy: -12.544 bonds (distance) P-C4' energy: -16.703 flat angles C4'-P-C4' energy: -11.552 flat angles P-C4'-P energy: -8.579 tors. eta vs tors. theta energy: -12.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -80.716152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.716152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.716152 (E_RNA) where: Base-Base interactions energy: -30.465 where: short stacking energy: -30.665 Base-Backbone interact. energy: -0.237 local terms energy: -50.014215 where: bonds (distance) C4'-P energy: -13.974 bonds (distance) P-C4' energy: -16.863 flat angles C4'-P-C4' energy: -8.198 flat angles P-C4'-P energy: -9.179 tors. eta vs tors. theta energy: -1.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -85.011028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.011028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.011028 (E_RNA) where: Base-Base interactions energy: -35.203 where: short stacking energy: -27.127 Base-Backbone interact. energy: -0.135 local terms energy: -49.672482 where: bonds (distance) C4'-P energy: -13.255 bonds (distance) P-C4' energy: -11.599 flat angles C4'-P-C4' energy: -10.719 flat angles P-C4'-P energy: -8.930 tors. eta vs tors. theta energy: -5.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -113.503166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.503166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.503166 (E_RNA) where: Base-Base interactions energy: -59.433 where: short stacking energy: -34.516 Base-Backbone interact. energy: -0.043 local terms energy: -54.027385 where: bonds (distance) C4'-P energy: -12.928 bonds (distance) P-C4' energy: -15.996 flat angles C4'-P-C4' energy: -11.266 flat angles P-C4'-P energy: -8.229 tors. eta vs tors. theta energy: -5.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -219.776902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.776902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.776902 (E_RNA) where: Base-Base interactions energy: -147.130 where: short stacking energy: -69.456 Base-Backbone interact. energy: -0.722 local terms energy: -71.924904 where: bonds (distance) C4'-P energy: -14.703 bonds (distance) P-C4' energy: -15.487 flat angles C4'-P-C4' energy: -15.431 flat angles P-C4'-P energy: -7.528 tors. eta vs tors. theta energy: -18.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -215.596292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.596292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.596292 (E_RNA) where: Base-Base interactions energy: -147.298 where: short stacking energy: -62.365 Base-Backbone interact. energy: -0.016 local terms energy: -68.283131 where: bonds (distance) C4'-P energy: -15.029 bonds (distance) P-C4' energy: -14.873 flat angles C4'-P-C4' energy: -13.044 flat angles P-C4'-P energy: -10.358 tors. eta vs tors. theta energy: -14.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -196.027482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.027482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.027482 (E_RNA) where: Base-Base interactions energy: -129.316 where: short stacking energy: -54.474 Base-Backbone interact. energy: -0.190 local terms energy: -66.521674 where: bonds (distance) C4'-P energy: -12.696 bonds (distance) P-C4' energy: -14.370 flat angles C4'-P-C4' energy: -16.185 flat angles P-C4'-P energy: -12.894 tors. eta vs tors. theta energy: -10.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -196.834891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.834891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.834891 (E_RNA) where: Base-Base interactions energy: -135.727 where: short stacking energy: -60.349 Base-Backbone interact. energy: -0.001 local terms energy: -61.107308 where: bonds (distance) C4'-P energy: -12.903 bonds (distance) P-C4' energy: -12.980 flat angles C4'-P-C4' energy: -13.684 flat angles P-C4'-P energy: -3.769 tors. eta vs tors. theta energy: -17.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -187.075615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.075615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.075615 (E_RNA) where: Base-Base interactions energy: -124.583 where: short stacking energy: -62.630 Base-Backbone interact. energy: -0.359 local terms energy: -62.133034 where: bonds (distance) C4'-P energy: -13.611 bonds (distance) P-C4' energy: -10.530 flat angles C4'-P-C4' energy: -11.618 flat angles P-C4'-P energy: -10.298 tors. eta vs tors. theta energy: -16.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -196.823494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.823494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.823494 (E_RNA) where: Base-Base interactions energy: -140.117 where: short stacking energy: -52.291 Base-Backbone interact. energy: -0.140 local terms energy: -56.566617 where: bonds (distance) C4'-P energy: -12.082 bonds (distance) P-C4' energy: -12.876 flat angles C4'-P-C4' energy: -14.153 flat angles P-C4'-P energy: -5.360 tors. eta vs tors. theta energy: -12.096 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: 9 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -166.593378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.593378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.593378 (E_RNA) where: Base-Base interactions energy: -111.888 where: short stacking energy: -40.994 Base-Backbone interact. energy: 0.566 local terms energy: -55.271754 where: bonds (distance) C4'-P energy: -7.626 bonds (distance) P-C4' energy: -14.472 flat angles C4'-P-C4' energy: -13.866 flat angles P-C4'-P energy: -12.625 tors. eta vs tors. theta energy: -6.683 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: 3 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -87.936784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.936784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.936784 (E_RNA) where: Base-Base interactions energy: -44.900 where: short stacking energy: -25.431 Base-Backbone interact. energy: -0.412 local terms energy: -42.625249 where: bonds (distance) C4'-P energy: -12.658 bonds (distance) P-C4' energy: -11.980 flat angles C4'-P-C4' energy: -7.994 flat angles P-C4'-P energy: -1.665 tors. eta vs tors. theta energy: -8.329 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: 5 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -88.751729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.751729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.751729 (E_RNA) where: Base-Base interactions energy: -39.604 where: short stacking energy: -36.551 Base-Backbone interact. energy: -0.093 local terms energy: -49.054278 where: bonds (distance) C4'-P energy: -16.650 bonds (distance) P-C4' energy: -10.218 flat angles C4'-P-C4' energy: -12.759 flat angles P-C4'-P energy: -4.148 tors. eta vs tors. theta energy: -5.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -72.750149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.750149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.750149 (E_RNA) where: Base-Base interactions energy: -24.904 where: short stacking energy: -24.904 Base-Backbone interact. energy: -0.084 local terms energy: -47.762127 where: bonds (distance) C4'-P energy: -12.594 bonds (distance) P-C4' energy: -14.814 flat angles C4'-P-C4' energy: -8.611 flat angles P-C4'-P energy: -8.831 tors. eta vs tors. theta energy: -2.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -214.170012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.170012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.170012 (E_RNA) where: Base-Base interactions energy: -140.053 where: short stacking energy: -65.880 Base-Backbone interact. energy: -0.046 local terms energy: -74.071355 where: bonds (distance) C4'-P energy: -13.984 bonds (distance) P-C4' energy: -16.540 flat angles C4'-P-C4' energy: -14.481 flat angles P-C4'-P energy: -10.511 tors. eta vs tors. theta energy: -18.555 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: 1 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -212.744598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.744598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.744598 (E_RNA) where: Base-Base interactions energy: -146.511 where: short stacking energy: -61.932 Base-Backbone interact. energy: 0.862 local terms energy: -67.095421 where: bonds (distance) C4'-P energy: -13.869 bonds (distance) P-C4' energy: -14.160 flat angles C4'-P-C4' energy: -13.667 flat angles P-C4'-P energy: -10.754 tors. eta vs tors. theta energy: -14.646 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: 7 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -204.097995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.097995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.097995 (E_RNA) where: Base-Base interactions energy: -135.965 where: short stacking energy: -58.142 Base-Backbone interact. energy: -0.681 local terms energy: -67.451779 where: bonds (distance) C4'-P energy: -11.041 bonds (distance) P-C4' energy: -13.927 flat angles C4'-P-C4' energy: -14.785 flat angles P-C4'-P energy: -12.076 tors. eta vs tors. theta energy: -15.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -186.499334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.499334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.499334 (E_RNA) where: Base-Base interactions energy: -127.560 where: short stacking energy: -47.173 Base-Backbone interact. energy: 0.274 local terms energy: -59.212727 where: bonds (distance) C4'-P energy: -12.691 bonds (distance) P-C4' energy: -13.743 flat angles C4'-P-C4' energy: -12.215 flat angles P-C4'-P energy: -9.280 tors. eta vs tors. theta energy: -11.283 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: 2 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -182.849031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.849031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.849031 (E_RNA) where: Base-Base interactions energy: -120.435 where: short stacking energy: -58.689 Base-Backbone interact. energy: -0.109 local terms energy: -62.305141 where: bonds (distance) C4'-P energy: -12.968 bonds (distance) P-C4' energy: -14.600 flat angles C4'-P-C4' energy: -11.566 flat angles P-C4'-P energy: -5.215 tors. eta vs tors. theta energy: -17.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -158.502505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.502505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.502505 (E_RNA) where: Base-Base interactions energy: -114.488 where: short stacking energy: -43.945 Base-Backbone interact. energy: -0.418 local terms energy: -43.597453 where: bonds (distance) C4'-P energy: -12.034 bonds (distance) P-C4' energy: -11.247 flat angles C4'-P-C4' energy: -7.244 flat angles P-C4'-P energy: -5.825 tors. eta vs tors. theta energy: -7.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -157.300195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.300195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.300195 (E_RNA) where: Base-Base interactions energy: -104.324 where: short stacking energy: -51.090 Base-Backbone interact. energy: -0.025 local terms energy: -52.951566 where: bonds (distance) C4'-P energy: -15.326 bonds (distance) P-C4' energy: -9.711 flat angles C4'-P-C4' energy: -10.699 flat angles P-C4'-P energy: -9.714 tors. eta vs tors. theta energy: -7.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -105.449048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.449048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.449048 (E_RNA) where: Base-Base interactions energy: -58.898 where: short stacking energy: -35.037 Base-Backbone interact. energy: -0.056 local terms energy: -46.494443 where: bonds (distance) C4'-P energy: -8.425 bonds (distance) P-C4' energy: -10.664 flat angles C4'-P-C4' energy: -15.502 flat angles P-C4'-P energy: -6.243 tors. eta vs tors. theta energy: -5.661 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: 6 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -90.271518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.271518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.271518 (E_RNA) where: Base-Base interactions energy: -39.024 where: short stacking energy: -26.432 Base-Backbone interact. energy: -0.131 local terms energy: -51.116390 where: bonds (distance) C4'-P energy: -14.199 bonds (distance) P-C4' energy: -14.427 flat angles C4'-P-C4' energy: -9.403 flat angles P-C4'-P energy: -6.106 tors. eta vs tors. theta energy: -6.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -93.052742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.052742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.052742 (E_RNA) where: Base-Base interactions energy: -44.642 where: short stacking energy: -20.979 Base-Backbone interact. energy: -0.506 local terms energy: -47.905137 where: bonds (distance) C4'-P energy: -13.836 bonds (distance) P-C4' energy: -12.143 flat angles C4'-P-C4' energy: -11.719 flat angles P-C4'-P energy: -7.831 tors. eta vs tors. theta energy: -2.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -213.017406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.017406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.017406 (E_RNA) where: Base-Base interactions energy: -140.857 where: short stacking energy: -62.259 Base-Backbone interact. energy: -0.420 local terms energy: -71.740871 where: bonds (distance) C4'-P energy: -14.836 bonds (distance) P-C4' energy: -14.830 flat angles C4'-P-C4' energy: -12.957 flat angles P-C4'-P energy: -8.724 tors. eta vs tors. theta energy: -20.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -217.940772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.940772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.940772 (E_RNA) where: Base-Base interactions energy: -151.448 where: short stacking energy: -68.485 Base-Backbone interact. energy: -0.116 local terms energy: -66.376232 where: bonds (distance) C4'-P energy: -13.267 bonds (distance) P-C4' energy: -15.487 flat angles C4'-P-C4' energy: -12.428 flat angles P-C4'-P energy: -5.773 tors. eta vs tors. theta energy: -19.422 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: 7 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -196.759513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.759513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.759513 (E_RNA) where: Base-Base interactions energy: -130.731 where: short stacking energy: -48.004 Base-Backbone interact. energy: -0.323 local terms energy: -65.706364 where: bonds (distance) C4'-P energy: -12.540 bonds (distance) P-C4' energy: -13.557 flat angles C4'-P-C4' energy: -14.343 flat angles P-C4'-P energy: -13.172 tors. eta vs tors. theta energy: -12.095 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: 117 Temperature: 1.050000 Total energy: -191.733351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.733351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.733351 (E_RNA) where: Base-Base interactions energy: -132.923 where: short stacking energy: -55.549 Base-Backbone interact. energy: -0.095 local terms energy: -58.715883 where: bonds (distance) C4'-P energy: -9.955 bonds (distance) P-C4' energy: -16.351 flat angles C4'-P-C4' energy: -14.095 flat angles P-C4'-P energy: -5.212 tors. eta vs tors. theta energy: -13.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -157.361158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.361158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.361158 (E_RNA) where: Base-Base interactions energy: -105.121 where: short stacking energy: -51.107 Base-Backbone interact. energy: -0.085 local terms energy: -52.155210 where: bonds (distance) C4'-P energy: -13.835 bonds (distance) P-C4' energy: -6.089 flat angles C4'-P-C4' energy: -15.777 flat angles P-C4'-P energy: -9.025 tors. eta vs tors. theta energy: -7.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -182.431890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.431890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.431890 (E_RNA) where: Base-Base interactions energy: -121.382 where: short stacking energy: -50.662 Base-Backbone interact. energy: -0.076 local terms energy: -60.973728 where: bonds (distance) C4'-P energy: -14.112 bonds (distance) P-C4' energy: -15.920 flat angles C4'-P-C4' energy: -13.847 flat angles P-C4'-P energy: -4.826 tors. eta vs tors. theta energy: -12.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -173.752252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.752252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.752252 (E_RNA) where: Base-Base interactions energy: -112.261 where: short stacking energy: -42.546 Base-Backbone interact. energy: -0.005 local terms energy: -61.486425 where: bonds (distance) C4'-P energy: -10.357 bonds (distance) P-C4' energy: -13.928 flat angles C4'-P-C4' energy: -16.280 flat angles P-C4'-P energy: -9.901 tors. eta vs tors. theta energy: -11.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -96.833427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.833427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.833427 (E_RNA) where: Base-Base interactions energy: -43.202 where: short stacking energy: -39.062 Base-Backbone interact. energy: -1.655 local terms energy: -51.977339 where: bonds (distance) C4'-P energy: -13.719 bonds (distance) P-C4' energy: -9.996 flat angles C4'-P-C4' energy: -11.207 flat angles P-C4'-P energy: -7.465 tors. eta vs tors. theta energy: -9.590 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: 9, replica: 3 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -86.594108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.594108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.594108 (E_RNA) where: Base-Base interactions energy: -46.635 where: short stacking energy: -41.176 Base-Backbone interact. energy: -0.007 local terms energy: -39.951842 where: bonds (distance) C4'-P energy: -13.872 bonds (distance) P-C4' energy: -11.134 flat angles C4'-P-C4' energy: -4.267 flat angles P-C4'-P energy: -4.776 tors. eta vs tors. theta energy: -5.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -112.611120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.611120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.611120 (E_RNA) where: Base-Base interactions energy: -64.173 where: short stacking energy: -34.577 Base-Backbone interact. energy: -0.031 local terms energy: -48.407325 where: bonds (distance) C4'-P energy: -10.491 bonds (distance) P-C4' energy: -12.897 flat angles C4'-P-C4' energy: -13.141 flat angles P-C4'-P energy: -7.323 tors. eta vs tors. theta energy: -4.555 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: 1 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -215.930668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.930668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.930668 (E_RNA) where: Base-Base interactions energy: -145.168 where: short stacking energy: -67.647 Base-Backbone interact. energy: -0.101 local terms energy: -70.661700 where: bonds (distance) C4'-P energy: -14.659 bonds (distance) P-C4' energy: -15.874 flat angles C4'-P-C4' energy: -14.574 flat angles P-C4'-P energy: -5.810 tors. eta vs tors. theta energy: -19.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -210.553581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.553581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.553581 (E_RNA) where: Base-Base interactions energy: -145.028 where: short stacking energy: -64.779 Base-Backbone interact. energy: 2.050 local terms energy: -67.575763 where: bonds (distance) C4'-P energy: -13.090 bonds (distance) P-C4' energy: -12.101 flat angles C4'-P-C4' energy: -12.940 flat angles P-C4'-P energy: -9.561 tors. eta vs tors. theta energy: -19.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -198.916276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.916276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.916276 (E_RNA) where: Base-Base interactions energy: -127.225 where: short stacking energy: -56.628 Base-Backbone interact. energy: -0.403 local terms energy: -71.288505 where: bonds (distance) C4'-P energy: -15.376 bonds (distance) P-C4' energy: -15.720 flat angles C4'-P-C4' energy: -15.542 flat angles P-C4'-P energy: -7.519 tors. eta vs tors. theta energy: -17.131 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: 4 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -199.675672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.675672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.675672 (E_RNA) where: Base-Base interactions energy: -137.179 where: short stacking energy: -46.910 Base-Backbone interact. energy: -0.098 local terms energy: -62.398503 where: bonds (distance) C4'-P energy: -11.501 bonds (distance) P-C4' energy: -14.894 flat angles C4'-P-C4' energy: -13.590 flat angles P-C4'-P energy: -7.905 tors. eta vs tors. theta energy: -14.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -184.035972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.035972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.035972 (E_RNA) where: Base-Base interactions energy: -131.616 where: short stacking energy: -51.470 Base-Backbone interact. energy: 0.669 local terms energy: -53.089524 where: bonds (distance) C4'-P energy: -10.531 bonds (distance) P-C4' energy: -6.845 flat angles C4'-P-C4' energy: -14.589 flat angles P-C4'-P energy: -8.319 tors. eta vs tors. theta energy: -12.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -168.911076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.911076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.911076 (E_RNA) where: Base-Base interactions energy: -109.204 where: short stacking energy: -40.778 Base-Backbone interact. energy: -0.197 local terms energy: -59.510153 where: bonds (distance) C4'-P energy: -11.632 bonds (distance) P-C4' energy: -13.797 flat angles C4'-P-C4' energy: -15.034 flat angles P-C4'-P energy: -9.062 tors. eta vs tors. theta energy: -9.985 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: 8 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -167.724165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.724165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.724165 (E_RNA) where: Base-Base interactions energy: -106.720 where: short stacking energy: -46.381 Base-Backbone interact. energy: -0.047 local terms energy: -60.956656 where: bonds (distance) C4'-P energy: -12.721 bonds (distance) P-C4' energy: -16.769 flat angles C4'-P-C4' energy: -11.644 flat angles P-C4'-P energy: -11.885 tors. eta vs tors. theta energy: -7.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -94.870649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.870649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.870649 (E_RNA) where: Base-Base interactions energy: -46.343 where: short stacking energy: -28.291 Base-Backbone interact. energy: -0.247 local terms energy: -48.280777 where: bonds (distance) C4'-P energy: -11.855 bonds (distance) P-C4' energy: -15.699 flat angles C4'-P-C4' energy: -11.486 flat angles P-C4'-P energy: -8.025 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: 9, replica: 5 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -171.087611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.087611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.087611 (E_RNA) where: Base-Base interactions energy: -111.009 where: short stacking energy: -49.953 Base-Backbone interact. energy: -0.098 local terms energy: -59.980107 where: bonds (distance) C4'-P energy: -13.079 bonds (distance) P-C4' energy: -11.997 flat angles C4'-P-C4' energy: -14.775 flat angles P-C4'-P energy: -6.946 tors. eta vs tors. theta energy: -13.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -89.148211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.148211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.148211 (E_RNA) where: Base-Base interactions energy: -41.147 where: short stacking energy: -17.832 Base-Backbone interact. energy: -0.130 local terms energy: -47.870836 where: bonds (distance) C4'-P energy: -9.706 bonds (distance) P-C4' energy: -14.190 flat angles C4'-P-C4' energy: -14.456 flat angles P-C4'-P energy: -7.574 tors. eta vs tors. theta energy: -1.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -221.236543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.236543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.236543 (E_RNA) where: Base-Base interactions energy: -155.533 where: short stacking energy: -64.766 Base-Backbone interact. energy: -0.002 local terms energy: -65.700908 where: bonds (distance) C4'-P energy: -14.778 bonds (distance) P-C4' energy: -13.697 flat angles C4'-P-C4' energy: -15.671 flat angles P-C4'-P energy: -9.151 tors. eta vs tors. theta energy: -12.404 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: 10 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -208.269955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.269955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.269955 (E_RNA) where: Base-Base interactions energy: -144.274 where: short stacking energy: -61.305 Base-Backbone interact. energy: -0.064 local terms energy: -63.931735 where: bonds (distance) C4'-P energy: -12.209 bonds (distance) P-C4' energy: -12.208 flat angles C4'-P-C4' energy: -12.526 flat angles P-C4'-P energy: -8.193 tors. eta vs tors. theta energy: -18.796 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: 7 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -206.735507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.735507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.735507 (E_RNA) where: Base-Base interactions energy: -142.112 where: short stacking energy: -59.229 Base-Backbone interact. energy: -0.146 local terms energy: -64.477610 where: bonds (distance) C4'-P energy: -12.186 bonds (distance) P-C4' energy: -15.767 flat angles C4'-P-C4' energy: -12.149 flat angles P-C4'-P energy: -9.861 tors. eta vs tors. theta energy: -14.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -198.685448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.685448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.685448 (E_RNA) where: Base-Base interactions energy: -133.785 where: short stacking energy: -59.996 Base-Backbone interact. energy: -0.003 local terms energy: -64.896853 where: bonds (distance) C4'-P energy: -14.228 bonds (distance) P-C4' energy: -15.019 flat angles C4'-P-C4' energy: -14.508 flat angles P-C4'-P energy: -6.707 tors. eta vs tors. theta energy: -14.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -186.614182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.614182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.614182 (E_RNA) where: Base-Base interactions energy: -122.805 where: short stacking energy: -49.739 Base-Backbone interact. energy: -0.127 local terms energy: -63.682489 where: bonds (distance) C4'-P energy: -10.025 bonds (distance) P-C4' energy: -15.938 flat angles C4'-P-C4' energy: -14.810 flat angles P-C4'-P energy: -12.578 tors. eta vs tors. theta energy: -10.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -177.621701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.621701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.621701 (E_RNA) where: Base-Base interactions energy: -112.540 where: short stacking energy: -52.601 Base-Backbone interact. energy: -0.005 local terms energy: -65.075885 where: bonds (distance) C4'-P energy: -14.953 bonds (distance) P-C4' energy: -16.869 flat angles C4'-P-C4' energy: -16.057 flat angles P-C4'-P energy: -6.543 tors. eta vs tors. theta energy: -10.654 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: 2 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -113.964486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.964486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.964486 (E_RNA) where: Base-Base interactions energy: -57.831 where: short stacking energy: -26.123 Base-Backbone interact. energy: -0.128 local terms energy: -56.005544 where: bonds (distance) C4'-P energy: -15.602 bonds (distance) P-C4' energy: -14.216 flat angles C4'-P-C4' energy: -13.100 flat angles P-C4'-P energy: -7.508 tors. eta vs tors. theta energy: -5.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -166.178312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.178312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.178312 (E_RNA) where: Base-Base interactions energy: -119.353 where: short stacking energy: -47.957 Base-Backbone interact. energy: -0.230 local terms energy: -46.595698 where: bonds (distance) C4'-P energy: -9.770 bonds (distance) P-C4' energy: -6.520 flat angles C4'-P-C4' energy: -12.730 flat angles P-C4'-P energy: -2.628 tors. eta vs tors. theta energy: -14.949 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: 6 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -83.541596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.541596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.541596 (E_RNA) where: Base-Base interactions energy: -40.092 where: short stacking energy: -36.473 Base-Backbone interact. energy: -0.553 local terms energy: -42.896771 where: bonds (distance) C4'-P energy: -11.526 bonds (distance) P-C4' energy: -14.806 flat angles C4'-P-C4' energy: -8.847 flat angles P-C4'-P energy: -7.650 tors. eta vs tors. theta energy: -0.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -78.481961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.481961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.481961 (E_RNA) where: Base-Base interactions energy: -25.487 where: short stacking energy: -23.695 Base-Backbone interact. energy: -0.057 local terms energy: -52.938357 where: bonds (distance) C4'-P energy: -9.215 bonds (distance) P-C4' energy: -15.446 flat angles C4'-P-C4' energy: -15.385 flat angles P-C4'-P energy: -9.211 tors. eta vs tors. theta energy: -3.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -224.458730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.458730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.458730 (E_RNA) where: Base-Base interactions energy: -150.333 where: short stacking energy: -67.380 Base-Backbone interact. energy: -0.012 local terms energy: -74.113390 where: bonds (distance) C4'-P energy: -15.396 bonds (distance) P-C4' energy: -14.620 flat angles C4'-P-C4' energy: -16.849 flat angles P-C4'-P energy: -9.014 tors. eta vs tors. theta energy: -18.234 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: 2, replica: 1 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -218.995329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.995329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.995329 (E_RNA) where: Base-Base interactions energy: -160.315 where: short stacking energy: -61.789 Base-Backbone interact. energy: 5.298 local terms energy: -63.978194 where: bonds (distance) C4'-P energy: -11.343 bonds (distance) P-C4' energy: -10.848 flat angles C4'-P-C4' energy: -15.104 flat angles P-C4'-P energy: -10.811 tors. eta vs tors. theta energy: -15.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -207.596213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.596213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.596213 (E_RNA) where: Base-Base interactions energy: -143.528 where: short stacking energy: -58.649 Base-Backbone interact. energy: -0.175 local terms energy: -63.893393 where: bonds (distance) C4'-P energy: -11.901 bonds (distance) P-C4' energy: -12.239 flat angles C4'-P-C4' energy: -16.268 flat angles P-C4'-P energy: -5.541 tors. eta vs tors. theta energy: -17.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -191.203562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.203562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.203562 (E_RNA) where: Base-Base interactions energy: -130.299 where: short stacking energy: -49.028 Base-Backbone interact. energy: -0.144 local terms energy: -60.760066 where: bonds (distance) C4'-P energy: -14.323 bonds (distance) P-C4' energy: -14.050 flat angles C4'-P-C4' energy: -10.571 flat angles P-C4'-P energy: -7.419 tors. eta vs tors. theta energy: -14.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -174.161016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.161016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.161016 (E_RNA) where: Base-Base interactions energy: -114.391 where: short stacking energy: -51.402 Base-Backbone interact. energy: 0.492 local terms energy: -60.261448 where: bonds (distance) C4'-P energy: -14.026 bonds (distance) P-C4' energy: -15.871 flat angles C4'-P-C4' energy: -14.077 flat angles P-C4'-P energy: -5.180 tors. eta vs tors. theta energy: -11.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -182.787157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.787157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.787157 (E_RNA) where: Base-Base interactions energy: -121.082 where: short stacking energy: -45.857 Base-Backbone interact. energy: -0.225 local terms energy: -61.479819 where: bonds (distance) C4'-P energy: -14.374 bonds (distance) P-C4' energy: -16.128 flat angles C4'-P-C4' energy: -8.975 flat angles P-C4'-P energy: -10.442 tors. eta vs tors. theta energy: -11.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -175.848161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.848161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.848161 (E_RNA) where: Base-Base interactions energy: -110.995 where: short stacking energy: -55.087 Base-Backbone interact. energy: -0.542 local terms energy: -64.311077 where: bonds (distance) C4'-P energy: -9.115 bonds (distance) P-C4' energy: -14.256 flat angles C4'-P-C4' energy: -13.892 flat angles P-C4'-P energy: -11.156 tors. eta vs tors. theta energy: -15.892 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: 2 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -83.137307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.137307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.137307 (E_RNA) where: Base-Base interactions energy: -35.458 where: short stacking energy: -24.731 Base-Backbone interact. energy: -0.397 local terms energy: -47.282351 where: bonds (distance) C4'-P energy: -12.423 bonds (distance) P-C4' energy: -14.262 flat angles C4'-P-C4' energy: -9.169 flat angles P-C4'-P energy: -7.270 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: 9, replica: 3 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -85.134381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.134381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.134381 (E_RNA) where: Base-Base interactions energy: -51.124 where: short stacking energy: -29.321 Base-Backbone interact. energy: -0.338 local terms energy: -33.671775 where: bonds (distance) C4'-P energy: -10.871 bonds (distance) P-C4' energy: -12.150 flat angles C4'-P-C4' energy: -7.513 flat angles P-C4'-P energy: -5.434 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: 10, replica: 6 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -78.500052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.500052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.500052 (E_RNA) where: Base-Base interactions energy: -25.554 where: short stacking energy: -23.484 Base-Backbone interact. energy: -0.172 local terms energy: -52.774082 where: bonds (distance) C4'-P energy: -15.815 bonds (distance) P-C4' energy: -13.419 flat angles C4'-P-C4' energy: -12.490 flat angles P-C4'-P energy: -7.927 tors. eta vs tors. theta energy: -3.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -219.353064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.353064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.353064 (E_RNA) where: Base-Base interactions energy: -142.802 where: short stacking energy: -63.679 Base-Backbone interact. energy: -0.762 local terms energy: -75.789332 where: bonds (distance) C4'-P energy: -14.848 bonds (distance) P-C4' energy: -14.776 flat angles C4'-P-C4' energy: -16.702 flat angles P-C4'-P energy: -10.447 tors. eta vs tors. theta energy: -19.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -217.484186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.484186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.484186 (E_RNA) where: Base-Base interactions energy: -151.829 where: short stacking energy: -55.707 Base-Backbone interact. energy: -0.132 local terms energy: -65.523890 where: bonds (distance) C4'-P energy: -15.177 bonds (distance) P-C4' energy: -15.458 flat angles C4'-P-C4' energy: -11.905 flat angles P-C4'-P energy: -11.732 tors. eta vs tors. theta energy: -11.253 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: 3, replica: 7 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -203.985679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.985679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.985679 (E_RNA) where: Base-Base interactions energy: -136.389 where: short stacking energy: -58.938 Base-Backbone interact. energy: -0.110 local terms energy: -67.486416 where: bonds (distance) C4'-P energy: -13.024 bonds (distance) P-C4' energy: -15.091 flat angles C4'-P-C4' energy: -14.752 flat angles P-C4'-P energy: -9.439 tors. eta vs tors. theta energy: -15.180 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: 4 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -201.592644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.592644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.592644 (E_RNA) where: Base-Base interactions energy: -134.163 where: short stacking energy: -53.501 Base-Backbone interact. energy: -0.414 local terms energy: -67.016277 where: bonds (distance) C4'-P energy: -14.493 bonds (distance) P-C4' energy: -16.696 flat angles C4'-P-C4' energy: -12.879 flat angles P-C4'-P energy: -7.189 tors. eta vs tors. theta energy: -15.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -178.336246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.336246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.336246 (E_RNA) where: Base-Base interactions energy: -120.052 where: short stacking energy: -61.396 Base-Backbone interact. energy: -0.246 local terms energy: -58.038004 where: bonds (distance) C4'-P energy: -10.737 bonds (distance) P-C4' energy: -14.495 flat angles C4'-P-C4' energy: -13.288 flat angles P-C4'-P energy: -9.036 tors. eta vs tors. theta energy: -10.482 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: 9 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -172.755383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.755383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.755383 (E_RNA) where: Base-Base interactions energy: -108.879 where: short stacking energy: -48.172 Base-Backbone interact. energy: -0.289 local terms energy: -63.587899 where: bonds (distance) C4'-P energy: -10.042 bonds (distance) P-C4' energy: -12.207 flat angles C4'-P-C4' energy: -17.461 flat angles P-C4'-P energy: -12.475 tors. eta vs tors. theta energy: -11.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -154.588487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.588487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.588487 (E_RNA) where: Base-Base interactions energy: -91.171 where: short stacking energy: -54.394 Base-Backbone interact. energy: -0.736 local terms energy: -62.681419 where: bonds (distance) C4'-P energy: -14.406 bonds (distance) P-C4' energy: -12.622 flat angles C4'-P-C4' energy: -13.594 flat angles P-C4'-P energy: -9.795 tors. eta vs tors. theta energy: -12.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -98.095147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.095147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.095147 (E_RNA) where: Base-Base interactions energy: -49.062 where: short stacking energy: -31.372 Base-Backbone interact. energy: -0.137 local terms energy: -48.895810 where: bonds (distance) C4'-P energy: -9.931 bonds (distance) P-C4' energy: -14.937 flat angles C4'-P-C4' energy: -13.553 flat angles P-C4'-P energy: -8.248 tors. eta vs tors. theta energy: -2.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -74.055687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.055687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.055687 (E_RNA) where: Base-Base interactions energy: -24.082 where: short stacking energy: -24.082 Base-Backbone interact. energy: 0.389 local terms energy: -50.362145 where: bonds (distance) C4'-P energy: -10.837 bonds (distance) P-C4' energy: -16.203 flat angles C4'-P-C4' energy: -14.054 flat angles P-C4'-P energy: -9.112 tors. eta vs tors. theta energy: -0.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -80.454384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.454384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.454384 (E_RNA) where: Base-Base interactions energy: -27.546 where: short stacking energy: -27.546 Base-Backbone interact. energy: 0.019 local terms energy: -52.928255 where: bonds (distance) C4'-P energy: -12.267 bonds (distance) P-C4' energy: -17.323 flat angles C4'-P-C4' energy: -11.998 flat angles P-C4'-P energy: -2.759 tors. eta vs tors. theta energy: -8.581 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: 1 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -230.597280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.597280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.597280 (E_RNA) where: Base-Base interactions energy: -162.950 where: short stacking energy: -65.967 Base-Backbone interact. energy: -0.272 local terms energy: -67.375151 where: bonds (distance) C4'-P energy: -13.064 bonds (distance) P-C4' energy: -14.674 flat angles C4'-P-C4' energy: -13.080 flat angles P-C4'-P energy: -8.403 tors. eta vs tors. theta energy: -18.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -213.048625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.048625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.048625 (E_RNA) where: Base-Base interactions energy: -147.013 where: short stacking energy: -58.985 Base-Backbone interact. energy: -0.201 local terms energy: -65.835314 where: bonds (distance) C4'-P energy: -12.564 bonds (distance) P-C4' energy: -15.098 flat angles C4'-P-C4' energy: -12.775 flat angles P-C4'-P energy: -7.797 tors. eta vs tors. theta energy: -17.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -206.724820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.724820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.724820 (E_RNA) where: Base-Base interactions energy: -142.147 where: short stacking energy: -59.134 Base-Backbone interact. energy: -0.090 local terms energy: -64.487786 where: bonds (distance) C4'-P energy: -12.355 bonds (distance) P-C4' energy: -12.606 flat angles C4'-P-C4' energy: -13.849 flat angles P-C4'-P energy: -10.456 tors. eta vs tors. theta energy: -15.222 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: 122 Temperature: 1.050000 Total energy: -186.596148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.596148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.596148 (E_RNA) where: Base-Base interactions energy: -125.055 where: short stacking energy: -48.082 Base-Backbone interact. energy: -0.236 local terms energy: -61.305966 where: bonds (distance) C4'-P energy: -9.468 bonds (distance) P-C4' energy: -15.902 flat angles C4'-P-C4' energy: -15.121 flat angles P-C4'-P energy: -9.810 tors. eta vs tors. theta energy: -11.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -186.653373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.653373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.653373 (E_RNA) where: Base-Base interactions energy: -125.587 where: short stacking energy: -47.222 Base-Backbone interact. energy: -0.254 local terms energy: -60.812051 where: bonds (distance) C4'-P energy: -10.506 bonds (distance) P-C4' energy: -15.380 flat angles C4'-P-C4' energy: -13.058 flat angles P-C4'-P energy: -9.037 tors. eta vs tors. theta energy: -12.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -178.896685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.896685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.896685 (E_RNA) where: Base-Base interactions energy: -112.700 where: short stacking energy: -53.318 Base-Backbone interact. energy: -0.595 local terms energy: -65.601066 where: bonds (distance) C4'-P energy: -12.059 bonds (distance) P-C4' energy: -16.488 flat angles C4'-P-C4' energy: -14.945 flat angles P-C4'-P energy: -8.745 tors. eta vs tors. theta energy: -13.364 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: 122 Temperature: 1.200000 Total energy: -165.180687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.180687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.180687 (E_RNA) where: Base-Base interactions energy: -107.364 where: short stacking energy: -40.749 Base-Backbone interact. energy: -0.005 local terms energy: -57.812468 where: bonds (distance) C4'-P energy: -13.345 bonds (distance) P-C4' energy: -13.680 flat angles C4'-P-C4' energy: -10.557 flat angles P-C4'-P energy: -5.643 tors. eta vs tors. theta energy: -14.588 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: 3 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -95.106672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.106672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.106672 (E_RNA) where: Base-Base interactions energy: -40.899 where: short stacking energy: -40.899 Base-Backbone interact. energy: -0.146 local terms energy: -54.062504 where: bonds (distance) C4'-P energy: -8.160 bonds (distance) P-C4' energy: -15.508 flat angles C4'-P-C4' energy: -13.057 flat angles P-C4'-P energy: -9.000 tors. eta vs tors. theta energy: -8.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -70.145373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.145373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.145373 (E_RNA) where: Base-Base interactions energy: -26.898 where: short stacking energy: -11.867 Base-Backbone interact. energy: -0.361 local terms energy: -42.886071 where: bonds (distance) C4'-P energy: -12.179 bonds (distance) P-C4' energy: -13.941 flat angles C4'-P-C4' energy: -11.742 flat angles P-C4'-P energy: -4.300 tors. eta vs tors. theta energy: -0.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -74.113210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.113210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.113210 (E_RNA) where: Base-Base interactions energy: -28.921 where: short stacking energy: -25.169 Base-Backbone interact. energy: 0.552 local terms energy: -45.743891 where: bonds (distance) C4'-P energy: -16.595 bonds (distance) P-C4' energy: -9.850 flat angles C4'-P-C4' energy: -8.844 flat angles P-C4'-P energy: -9.583 tors. eta vs tors. theta energy: -0.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -223.439433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.439433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.439433 (E_RNA) where: Base-Base interactions energy: -151.013 where: short stacking energy: -64.171 Base-Backbone interact. energy: -0.082 local terms energy: -72.344661 where: bonds (distance) C4'-P energy: -14.918 bonds (distance) P-C4' energy: -12.515 flat angles C4'-P-C4' energy: -16.847 flat angles P-C4'-P energy: -9.437 tors. eta vs tors. theta energy: -18.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -196.430255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.430255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.430255 (E_RNA) where: Base-Base interactions energy: -130.457 where: short stacking energy: -55.923 Base-Backbone interact. energy: -0.146 local terms energy: -65.827525 where: bonds (distance) C4'-P energy: -13.950 bonds (distance) P-C4' energy: -14.800 flat angles C4'-P-C4' energy: -13.968 flat angles P-C4'-P energy: -11.563 tors. eta vs tors. theta energy: -11.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -216.223329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.223329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.223329 (E_RNA) where: Base-Base interactions energy: -142.641 where: short stacking energy: -65.611 Base-Backbone interact. energy: -0.054 local terms energy: -73.528127 where: bonds (distance) C4'-P energy: -16.063 bonds (distance) P-C4' energy: -16.110 flat angles C4'-P-C4' energy: -13.487 flat angles P-C4'-P energy: -8.066 tors. eta vs tors. theta energy: -19.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -195.794790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.794790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.794790 (E_RNA) where: Base-Base interactions energy: -134.232 where: short stacking energy: -58.630 Base-Backbone interact. energy: -0.664 local terms energy: -60.898149 where: bonds (distance) C4'-P energy: -14.833 bonds (distance) P-C4' energy: -13.898 flat angles C4'-P-C4' energy: -13.328 flat angles P-C4'-P energy: -5.441 tors. eta vs tors. theta energy: -13.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -177.820387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.820387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.820387 (E_RNA) where: Base-Base interactions energy: -116.129 where: short stacking energy: -49.460 Base-Backbone interact. energy: -0.037 local terms energy: -61.654706 where: bonds (distance) C4'-P energy: -14.655 bonds (distance) P-C4' energy: -13.796 flat angles C4'-P-C4' energy: -14.426 flat angles P-C4'-P energy: -7.192 tors. eta vs tors. theta energy: -11.586 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: 123 Temperature: 1.150000 Total energy: -183.738330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.738330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.738330 (E_RNA) where: Base-Base interactions energy: -122.917 where: short stacking energy: -56.439 Base-Backbone interact. energy: -0.244 local terms energy: -60.576648 where: bonds (distance) C4'-P energy: -13.578 bonds (distance) P-C4' energy: -16.159 flat angles C4'-P-C4' energy: -11.510 flat angles P-C4'-P energy: -6.417 tors. eta vs tors. theta energy: -12.912 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: 7, replica: 5 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -174.661012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.661012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.661012 (E_RNA) where: Base-Base interactions energy: -120.079 where: short stacking energy: -56.670 Base-Backbone interact. energy: -0.652 local terms energy: -53.929498 where: bonds (distance) C4'-P energy: -7.965 bonds (distance) P-C4' energy: -8.586 flat angles C4'-P-C4' energy: -12.213 flat angles P-C4'-P energy: -8.814 tors. eta vs tors. theta energy: -16.350 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: 6 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -111.931351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.931351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.931351 (E_RNA) where: Base-Base interactions energy: -61.661 where: short stacking energy: -20.045 Base-Backbone interact. energy: -0.352 local terms energy: -49.918593 where: bonds (distance) C4'-P energy: -10.987 bonds (distance) P-C4' energy: -14.484 flat angles C4'-P-C4' energy: -13.666 flat angles P-C4'-P energy: -6.806 tors. eta vs tors. theta energy: -3.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -86.560703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.560703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.560703 (E_RNA) where: Base-Base interactions energy: -32.549 where: short stacking energy: -32.549 Base-Backbone interact. energy: -0.011 local terms energy: -53.999912 where: bonds (distance) C4'-P energy: -15.950 bonds (distance) P-C4' energy: -15.671 flat angles C4'-P-C4' energy: -11.265 flat angles P-C4'-P energy: -5.565 tors. eta vs tors. theta energy: -5.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -86.993774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.993774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.993774 (E_RNA) where: Base-Base interactions energy: -42.568 where: short stacking energy: -13.619 Base-Backbone interact. energy: -0.049 local terms energy: -44.377262 where: bonds (distance) C4'-P energy: -14.581 bonds (distance) P-C4' energy: -13.081 flat angles C4'-P-C4' energy: -9.436 flat angles P-C4'-P energy: -7.491 tors. eta vs tors. theta energy: 0.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -213.232135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.232135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.232135 (E_RNA) where: Base-Base interactions energy: -140.253 where: short stacking energy: -61.732 Base-Backbone interact. energy: -0.001 local terms energy: -72.977910 where: bonds (distance) C4'-P energy: -14.229 bonds (distance) P-C4' energy: -15.945 flat angles C4'-P-C4' energy: -15.154 flat angles P-C4'-P energy: -10.643 tors. eta vs tors. theta energy: -17.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -201.203844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.203844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.203844 (E_RNA) where: Base-Base interactions energy: -138.576 where: short stacking energy: -56.978 Base-Backbone interact. energy: 0.527 local terms energy: -63.154995 where: bonds (distance) C4'-P energy: -14.641 bonds (distance) P-C4' energy: -14.141 flat angles C4'-P-C4' energy: -11.827 flat angles P-C4'-P energy: -9.986 tors. eta vs tors. theta energy: -12.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -205.257929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.257929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.257929 (E_RNA) where: Base-Base interactions energy: -138.935 where: short stacking energy: -62.293 Base-Backbone interact. energy: -0.315 local terms energy: -66.007824 where: bonds (distance) C4'-P energy: -10.973 bonds (distance) P-C4' energy: -15.027 flat angles C4'-P-C4' energy: -15.441 flat angles P-C4'-P energy: -7.700 tors. eta vs tors. theta energy: -16.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -195.318763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.318763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.318763 (E_RNA) where: Base-Base interactions energy: -138.921 where: short stacking energy: -55.992 Base-Backbone interact. energy: -0.007 local terms energy: -56.390537 where: bonds (distance) C4'-P energy: -11.864 bonds (distance) P-C4' energy: -12.384 flat angles C4'-P-C4' energy: -9.713 flat angles P-C4'-P energy: -7.888 tors. eta vs tors. theta energy: -14.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -197.860517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.860517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.860517 (E_RNA) where: Base-Base interactions energy: -134.537 where: short stacking energy: -58.802 Base-Backbone interact. energy: -0.012 local terms energy: -63.310566 where: bonds (distance) C4'-P energy: -12.618 bonds (distance) P-C4' energy: -17.097 flat angles C4'-P-C4' energy: -8.540 flat angles P-C4'-P energy: -8.185 tors. eta vs tors. theta energy: -16.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -187.442148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.442148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.442148 (E_RNA) where: Base-Base interactions energy: -129.300 where: short stacking energy: -46.361 Base-Backbone interact. energy: -0.134 local terms energy: -58.008413 where: bonds (distance) C4'-P energy: -13.488 bonds (distance) P-C4' energy: -10.818 flat angles C4'-P-C4' energy: -12.595 flat angles P-C4'-P energy: -10.070 tors. eta vs tors. theta energy: -11.038 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: 124 Temperature: 1.200000 Total energy: -183.648358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.648358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.648358 (E_RNA) where: Base-Base interactions energy: -126.519 where: short stacking energy: -51.402 Base-Backbone interact. energy: -0.109 local terms energy: -57.020681 where: bonds (distance) C4'-P energy: -11.258 bonds (distance) P-C4' energy: -9.326 flat angles C4'-P-C4' energy: -13.868 flat angles P-C4'-P energy: -8.311 tors. eta vs tors. theta energy: -14.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -97.772320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.772320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.772320 (E_RNA) where: Base-Base interactions energy: -51.426 where: short stacking energy: -20.944 Base-Backbone interact. energy: -0.197 local terms energy: -46.149303 where: bonds (distance) C4'-P energy: -14.236 bonds (distance) P-C4' energy: -14.452 flat angles C4'-P-C4' energy: -10.417 flat angles P-C4'-P energy: -6.451 tors. eta vs tors. theta energy: -0.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -107.580631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.580631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.580631 (E_RNA) where: Base-Base interactions energy: -61.036 where: short stacking energy: -38.431 Base-Backbone interact. energy: -0.108 local terms energy: -46.436959 where: bonds (distance) C4'-P energy: -8.904 bonds (distance) P-C4' energy: -5.837 flat angles C4'-P-C4' energy: -13.941 flat angles P-C4'-P energy: -10.322 tors. eta vs tors. theta energy: -7.433 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: 124 Temperature: 1.350000 Total energy: -79.500858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.500858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.500858 (E_RNA) where: Base-Base interactions energy: -39.654 where: short stacking energy: -18.545 Base-Backbone interact. energy: -0.626 local terms energy: -39.220186 where: bonds (distance) C4'-P energy: -12.386 bonds (distance) P-C4' energy: -13.120 flat angles C4'-P-C4' energy: -5.417 flat angles P-C4'-P energy: -8.809 tors. eta vs tors. theta energy: 0.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -215.656691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.656691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.656691 (E_RNA) where: Base-Base interactions energy: -154.494 where: short stacking energy: -62.782 Base-Backbone interact. energy: -0.327 local terms energy: -60.835433 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -15.485 flat angles C4'-P-C4' energy: -11.332 flat angles P-C4'-P energy: -9.494 tors. eta vs tors. theta energy: -16.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -199.706358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.706358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.706358 (E_RNA) where: Base-Base interactions energy: -141.380 where: short stacking energy: -62.218 Base-Backbone interact. energy: -0.011 local terms energy: -58.314505 where: bonds (distance) C4'-P energy: -9.964 bonds (distance) P-C4' energy: -12.993 flat angles C4'-P-C4' energy: -11.309 flat angles P-C4'-P energy: -11.651 tors. eta vs tors. theta energy: -12.398 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: 10 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -193.558726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.558726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.558726 (E_RNA) where: Base-Base interactions energy: -129.542 where: short stacking energy: -60.728 Base-Backbone interact. energy: -0.281 local terms energy: -63.736027 where: bonds (distance) C4'-P energy: -13.719 bonds (distance) P-C4' energy: -13.353 flat angles C4'-P-C4' energy: -10.255 flat angles P-C4'-P energy: -12.673 tors. eta vs tors. theta energy: -13.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -194.329920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.329920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.329920 (E_RNA) where: Base-Base interactions energy: -131.421 where: short stacking energy: -60.772 Base-Backbone interact. energy: -0.080 local terms energy: -62.829358 where: bonds (distance) C4'-P energy: -14.150 bonds (distance) P-C4' energy: -11.904 flat angles C4'-P-C4' energy: -14.094 flat angles P-C4'-P energy: -5.872 tors. eta vs tors. theta energy: -16.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -183.324936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.324936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.324936 (E_RNA) where: Base-Base interactions energy: -124.498 where: short stacking energy: -54.580 Base-Backbone interact. energy: -0.053 local terms energy: -58.774300 where: bonds (distance) C4'-P energy: -11.550 bonds (distance) P-C4' energy: -13.865 flat angles C4'-P-C4' energy: -14.680 flat angles P-C4'-P energy: -6.247 tors. eta vs tors. theta energy: -12.431 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: 7 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -188.359390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.359390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.359390 (E_RNA) where: Base-Base interactions energy: -123.752 where: short stacking energy: -53.897 Base-Backbone interact. energy: 0.112 local terms energy: -64.719641 where: bonds (distance) C4'-P energy: -14.228 bonds (distance) P-C4' energy: -14.131 flat angles C4'-P-C4' energy: -16.603 flat angles P-C4'-P energy: -10.433 tors. eta vs tors. theta energy: -9.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -182.156556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.156556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.156556 (E_RNA) where: Base-Base interactions energy: -112.559 where: short stacking energy: -50.054 Base-Backbone interact. energy: -0.252 local terms energy: -69.345624 where: bonds (distance) C4'-P energy: -13.384 bonds (distance) P-C4' energy: -14.402 flat angles C4'-P-C4' energy: -14.443 flat angles P-C4'-P energy: -12.134 tors. eta vs tors. theta energy: -14.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -100.692198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.692198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.692198 (E_RNA) where: Base-Base interactions energy: -60.839 where: short stacking energy: -39.215 Base-Backbone interact. energy: -0.120 local terms energy: -39.733042 where: bonds (distance) C4'-P energy: -6.283 bonds (distance) P-C4' energy: -14.952 flat angles C4'-P-C4' energy: -10.557 flat angles P-C4'-P energy: -6.644 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: 9, replica: 6 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -75.856656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.856656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.856656 (E_RNA) where: Base-Base interactions energy: -26.164 where: short stacking energy: -22.867 Base-Backbone interact. energy: -0.137 local terms energy: -49.555813 where: bonds (distance) C4'-P energy: -14.613 bonds (distance) P-C4' energy: -11.493 flat angles C4'-P-C4' energy: -14.729 flat angles P-C4'-P energy: -6.978 tors. eta vs tors. theta energy: -1.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -67.767573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.767573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.767573 (E_RNA) where: Base-Base interactions energy: -29.680 where: short stacking energy: -26.507 Base-Backbone interact. energy: 0.124 local terms energy: -38.210662 where: bonds (distance) C4'-P energy: -14.394 bonds (distance) P-C4' energy: -9.910 flat angles C4'-P-C4' energy: -11.565 flat angles P-C4'-P energy: -6.632 tors. eta vs tors. theta energy: 4.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -219.054402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.054402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.054402 (E_RNA) where: Base-Base interactions energy: -146.801 where: short stacking energy: -67.661 Base-Backbone interact. energy: -0.893 local terms energy: -71.360819 where: bonds (distance) C4'-P energy: -14.108 bonds (distance) P-C4' energy: -16.042 flat angles C4'-P-C4' energy: -12.986 flat angles P-C4'-P energy: -9.627 tors. eta vs tors. theta energy: -18.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -195.963870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.963870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.963870 (E_RNA) where: Base-Base interactions energy: -129.203 where: short stacking energy: -55.888 Base-Backbone interact. energy: -0.245 local terms energy: -66.515269 where: bonds (distance) C4'-P energy: -14.145 bonds (distance) P-C4' energy: -14.237 flat angles C4'-P-C4' energy: -16.025 flat angles P-C4'-P energy: -8.661 tors. eta vs tors. theta energy: -13.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -184.675570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.675570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.675570 (E_RNA) where: Base-Base interactions energy: -122.710 where: short stacking energy: -48.203 Base-Backbone interact. energy: -0.133 local terms energy: -61.833433 where: bonds (distance) C4'-P energy: -12.166 bonds (distance) P-C4' energy: -13.732 flat angles C4'-P-C4' energy: -15.993 flat angles P-C4'-P energy: -9.403 tors. eta vs tors. theta energy: -10.541 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: 4, replica: 10 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -199.916478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.916478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.916478 (E_RNA) where: Base-Base interactions energy: -139.131 where: short stacking energy: -58.793 Base-Backbone interact. energy: -0.011 local terms energy: -60.774892 where: bonds (distance) C4'-P energy: -11.087 bonds (distance) P-C4' energy: -14.023 flat angles C4'-P-C4' energy: -14.252 flat angles P-C4'-P energy: -7.924 tors. eta vs tors. theta energy: -13.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -181.125667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.125667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.125667 (E_RNA) where: Base-Base interactions energy: -117.233 where: short stacking energy: -61.542 Base-Backbone interact. energy: -0.177 local terms energy: -63.715600 where: bonds (distance) C4'-P energy: -9.438 bonds (distance) P-C4' energy: -14.996 flat angles C4'-P-C4' energy: -14.044 flat angles P-C4'-P energy: -11.648 tors. eta vs tors. theta energy: -13.589 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: 9 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -169.473118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.473118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.473118 (E_RNA) where: Base-Base interactions energy: -112.964 where: short stacking energy: -38.193 Base-Backbone interact. energy: -0.157 local terms energy: -56.352177 where: bonds (distance) C4'-P energy: -14.857 bonds (distance) P-C4' energy: -14.844 flat angles C4'-P-C4' energy: -12.733 flat angles P-C4'-P energy: -7.943 tors. eta vs tors. theta energy: -5.975 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: 5 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -185.100624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.100624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.100624 (E_RNA) where: Base-Base interactions energy: -126.678 where: short stacking energy: -54.567 Base-Backbone interact. energy: -0.012 local terms energy: -58.409831 where: bonds (distance) C4'-P energy: -8.055 bonds (distance) P-C4' energy: -12.146 flat angles C4'-P-C4' energy: -14.878 flat angles P-C4'-P energy: -8.290 tors. eta vs tors. theta energy: -15.040 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: 2 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -117.607869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.607869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.607869 (E_RNA) where: Base-Base interactions energy: -80.115 where: short stacking energy: -32.064 Base-Backbone interact. energy: -0.368 local terms energy: -37.125590 where: bonds (distance) C4'-P energy: -3.681 bonds (distance) P-C4' energy: -12.896 flat angles C4'-P-C4' energy: -13.485 flat angles P-C4'-P energy: -4.848 tors. eta vs tors. theta energy: -2.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -85.274158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.274158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.274158 (E_RNA) where: Base-Base interactions energy: -32.740 where: short stacking energy: -32.119 Base-Backbone interact. energy: -0.185 local terms energy: -52.349242 where: bonds (distance) C4'-P energy: -8.925 bonds (distance) P-C4' energy: -16.298 flat angles C4'-P-C4' energy: -12.207 flat angles P-C4'-P energy: -9.256 tors. eta vs tors. theta energy: -5.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -81.453582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.453582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.453582 (E_RNA) where: Base-Base interactions energy: -31.506 where: short stacking energy: -31.506 Base-Backbone interact. energy: -0.144 local terms energy: -49.803867 where: bonds (distance) C4'-P energy: -13.013 bonds (distance) P-C4' energy: -10.843 flat angles C4'-P-C4' energy: -13.337 flat angles P-C4'-P energy: -11.351 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: 1, replica: 1 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -221.241238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.241238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.241238 (E_RNA) where: Base-Base interactions energy: -153.174 where: short stacking energy: -57.417 Base-Backbone interact. energy: -0.108 local terms energy: -67.958845 where: bonds (distance) C4'-P energy: -13.681 bonds (distance) P-C4' energy: -14.824 flat angles C4'-P-C4' energy: -15.860 flat angles P-C4'-P energy: -8.293 tors. eta vs tors. theta energy: -15.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -199.292778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.292778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.292778 (E_RNA) where: Base-Base interactions energy: -133.098 where: short stacking energy: -56.596 Base-Backbone interact. energy: -0.196 local terms energy: -65.998817 where: bonds (distance) C4'-P energy: -15.586 bonds (distance) P-C4' energy: -13.182 flat angles C4'-P-C4' energy: -13.933 flat angles P-C4'-P energy: -10.234 tors. eta vs tors. theta energy: -13.064 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: 127 Temperature: 1.000000 Total energy: -180.007301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.007301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.007301 (E_RNA) where: Base-Base interactions energy: -120.683 where: short stacking energy: -48.372 Base-Backbone interact. energy: -0.178 local terms energy: -59.146665 where: bonds (distance) C4'-P energy: -10.861 bonds (distance) P-C4' energy: -16.883 flat angles C4'-P-C4' energy: -12.894 flat angles P-C4'-P energy: -10.121 tors. eta vs tors. theta energy: -8.387 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: 10 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -199.381652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.381652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.381652 (E_RNA) where: Base-Base interactions energy: -127.439 where: short stacking energy: -58.992 Base-Backbone interact. energy: -0.010 local terms energy: -71.932347 where: bonds (distance) C4'-P energy: -14.776 bonds (distance) P-C4' energy: -16.048 flat angles C4'-P-C4' energy: -15.409 flat angles P-C4'-P energy: -8.868 tors. eta vs tors. theta energy: -16.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -186.079588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.079588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.079588 (E_RNA) where: Base-Base interactions energy: -118.887 where: short stacking energy: -50.859 Base-Backbone interact. energy: -0.037 local terms energy: -67.155449 where: bonds (distance) C4'-P energy: -11.495 bonds (distance) P-C4' energy: -13.336 flat angles C4'-P-C4' energy: -13.373 flat angles P-C4'-P energy: -12.974 tors. eta vs tors. theta energy: -15.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -183.265871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.265871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.265871 (E_RNA) where: Base-Base interactions energy: -117.557 where: short stacking energy: -46.649 Base-Backbone interact. energy: -0.073 local terms energy: -65.635049 where: bonds (distance) C4'-P energy: -11.074 bonds (distance) P-C4' energy: -12.647 flat angles C4'-P-C4' energy: -14.381 flat angles P-C4'-P energy: -14.048 tors. eta vs tors. theta energy: -13.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -179.688776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.688776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.688776 (E_RNA) where: Base-Base interactions energy: -120.084 where: short stacking energy: -42.160 Base-Backbone interact. energy: 0.190 local terms energy: -59.794656 where: bonds (distance) C4'-P energy: -12.514 bonds (distance) P-C4' energy: -16.403 flat angles C4'-P-C4' energy: -10.614 flat angles P-C4'-P energy: -11.314 tors. eta vs tors. theta energy: -8.950 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: 6 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -84.024518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.024518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.024518 (E_RNA) where: Base-Base interactions energy: -36.302 where: short stacking energy: -20.853 Base-Backbone interact. energy: -0.141 local terms energy: -47.580618 where: bonds (distance) C4'-P energy: -12.614 bonds (distance) P-C4' energy: -15.305 flat angles C4'-P-C4' energy: -9.769 flat angles P-C4'-P energy: -10.708 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: 2 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -101.209162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.209162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.209162 (E_RNA) where: Base-Base interactions energy: -56.164 where: short stacking energy: -23.804 Base-Backbone interact. energy: -0.249 local terms energy: -44.796256 where: bonds (distance) C4'-P energy: -11.815 bonds (distance) P-C4' energy: -15.434 flat angles C4'-P-C4' energy: -12.497 flat angles P-C4'-P energy: -2.673 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: 10, replica: 3 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -77.704582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.704582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.704582 (E_RNA) where: Base-Base interactions energy: -37.598 where: short stacking energy: -35.816 Base-Backbone interact. energy: -0.463 local terms energy: -39.643346 where: bonds (distance) C4'-P energy: -12.848 bonds (distance) P-C4' energy: -6.950 flat angles C4'-P-C4' energy: -14.305 flat angles P-C4'-P energy: -1.130 tors. eta vs tors. theta energy: -4.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -200.328467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.328467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.328467 (E_RNA) where: Base-Base interactions energy: -134.304 where: short stacking energy: -56.104 Base-Backbone interact. energy: -0.366 local terms energy: -65.658724 where: bonds (distance) C4'-P energy: -14.877 bonds (distance) P-C4' energy: -16.707 flat angles C4'-P-C4' energy: -13.588 flat angles P-C4'-P energy: -11.016 tors. eta vs tors. theta energy: -9.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -220.936839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.936839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.936839 (E_RNA) where: Base-Base interactions energy: -153.893 where: short stacking energy: -63.177 Base-Backbone interact. energy: -0.001 local terms energy: -67.042966 where: bonds (distance) C4'-P energy: -10.697 bonds (distance) P-C4' energy: -17.528 flat angles C4'-P-C4' energy: -14.218 flat angles P-C4'-P energy: -9.735 tors. eta vs tors. theta energy: -14.865 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: 10 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -213.581643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.581643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.581643 (E_RNA) where: Base-Base interactions energy: -143.951 where: short stacking energy: -64.504 Base-Backbone interact. energy: -0.102 local terms energy: -69.529403 where: bonds (distance) C4'-P energy: -13.580 bonds (distance) P-C4' energy: -14.852 flat angles C4'-P-C4' energy: -15.922 flat angles P-C4'-P energy: -5.460 tors. eta vs tors. theta energy: -19.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -177.074201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.074201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.074201 (E_RNA) where: Base-Base interactions energy: -123.683 where: short stacking energy: -47.185 Base-Backbone interact. energy: -0.216 local terms energy: -53.175346 where: bonds (distance) C4'-P energy: -11.815 bonds (distance) P-C4' energy: -9.411 flat angles C4'-P-C4' energy: -12.376 flat angles P-C4'-P energy: -10.796 tors. eta vs tors. theta energy: -8.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -191.293889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.293889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.293889 (E_RNA) where: Base-Base interactions energy: -122.335 where: short stacking energy: -63.943 Base-Backbone interact. energy: -0.841 local terms energy: -68.118812 where: bonds (distance) C4'-P energy: -12.899 bonds (distance) P-C4' energy: -12.852 flat angles C4'-P-C4' energy: -13.736 flat angles P-C4'-P energy: -13.564 tors. eta vs tors. theta energy: -15.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -182.005318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.005318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.005318 (E_RNA) where: Base-Base interactions energy: -115.248 where: short stacking energy: -53.439 Base-Backbone interact. energy: -0.018 local terms energy: -66.739996 where: bonds (distance) C4'-P energy: -12.219 bonds (distance) P-C4' energy: -15.301 flat angles C4'-P-C4' energy: -9.971 flat angles P-C4'-P energy: -12.065 tors. eta vs tors. theta energy: -17.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -186.474660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.474660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.474660 (E_RNA) where: Base-Base interactions energy: -131.220 where: short stacking energy: -50.777 Base-Backbone interact. energy: -0.567 local terms energy: -54.687021 where: bonds (distance) C4'-P energy: -13.148 bonds (distance) P-C4' energy: -10.417 flat angles C4'-P-C4' energy: -11.863 flat angles P-C4'-P energy: -5.951 tors. eta vs tors. theta energy: -13.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -89.153036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.153036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.153036 (E_RNA) where: Base-Base interactions energy: -49.090 where: short stacking energy: -42.348 Base-Backbone interact. energy: 0.029 local terms energy: -40.092924 where: bonds (distance) C4'-P energy: -10.552 bonds (distance) P-C4' energy: -14.993 flat angles C4'-P-C4' energy: -7.830 flat angles P-C4'-P energy: -0.184 tors. eta vs tors. theta energy: -6.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -79.331124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.331124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.331124 (E_RNA) where: Base-Base interactions energy: -24.828 where: short stacking energy: -24.828 Base-Backbone interact. energy: -0.016 local terms energy: -54.486950 where: bonds (distance) C4'-P energy: -12.058 bonds (distance) P-C4' energy: -18.007 flat angles C4'-P-C4' energy: -13.829 flat angles P-C4'-P energy: -5.883 tors. eta vs tors. theta energy: -4.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -99.050404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.050404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.050404 (E_RNA) where: Base-Base interactions energy: -58.208 where: short stacking energy: -28.591 Base-Backbone interact. energy: -0.145 local terms energy: -40.697192 where: bonds (distance) C4'-P energy: -7.434 bonds (distance) P-C4' energy: -12.935 flat angles C4'-P-C4' energy: -11.035 flat angles P-C4'-P energy: -6.494 tors. eta vs tors. theta energy: -2.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -199.633538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.633538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.633538 (E_RNA) where: Base-Base interactions energy: -131.385 where: short stacking energy: -49.167 Base-Backbone interact. energy: -0.236 local terms energy: -68.012136 where: bonds (distance) C4'-P energy: -15.537 bonds (distance) P-C4' energy: -16.510 flat angles C4'-P-C4' energy: -15.649 flat angles P-C4'-P energy: -11.471 tors. eta vs tors. theta energy: -8.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -210.880702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.880702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.880702 (E_RNA) where: Base-Base interactions energy: -135.901 where: short stacking energy: -60.906 Base-Backbone interact. energy: -0.092 local terms energy: -74.887100 where: bonds (distance) C4'-P energy: -14.732 bonds (distance) P-C4' energy: -14.659 flat angles C4'-P-C4' energy: -15.036 flat angles P-C4'-P energy: -10.606 tors. eta vs tors. theta energy: -19.854 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: 129 Temperature: 1.000000 Total energy: -215.821438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.821438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.821438 (E_RNA) where: Base-Base interactions energy: -144.493 where: short stacking energy: -60.541 Base-Backbone interact. energy: -1.427 local terms energy: -69.901642 where: bonds (distance) C4'-P energy: -14.120 bonds (distance) P-C4' energy: -16.725 flat angles C4'-P-C4' energy: -11.626 flat angles P-C4'-P energy: -10.496 tors. eta vs tors. theta energy: -16.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -190.846051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.846051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.846051 (E_RNA) where: Base-Base interactions energy: -120.673 where: short stacking energy: -65.087 Base-Backbone interact. energy: -0.003 local terms energy: -70.170446 where: bonds (distance) C4'-P energy: -12.349 bonds (distance) P-C4' energy: -14.490 flat angles C4'-P-C4' energy: -14.838 flat angles P-C4'-P energy: -10.037 tors. eta vs tors. theta energy: -18.456 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: 5, replica: 8 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -181.635323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.635323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.635323 (E_RNA) where: Base-Base interactions energy: -116.663 where: short stacking energy: -53.190 Base-Backbone interact. energy: -0.131 local terms energy: -64.840894 where: bonds (distance) C4'-P energy: -9.351 bonds (distance) P-C4' energy: -14.489 flat angles C4'-P-C4' energy: -16.215 flat angles P-C4'-P energy: -10.307 tors. eta vs tors. theta energy: -14.478 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: 6, replica: 9 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -201.999317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.999317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.999317 (E_RNA) where: Base-Base interactions energy: -140.712 where: short stacking energy: -61.089 Base-Backbone interact. energy: -0.013 local terms energy: -61.275044 where: bonds (distance) C4'-P energy: -9.982 bonds (distance) P-C4' energy: -10.843 flat angles C4'-P-C4' energy: -14.410 flat angles P-C4'-P energy: -7.869 tors. eta vs tors. theta energy: -18.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -175.183109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.183109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.183109 (E_RNA) where: Base-Base interactions energy: -112.194 where: short stacking energy: -55.888 Base-Backbone interact. energy: -0.067 local terms energy: -62.922162 where: bonds (distance) C4'-P energy: -12.954 bonds (distance) P-C4' energy: -14.639 flat angles C4'-P-C4' energy: -13.687 flat angles P-C4'-P energy: -8.657 tors. eta vs tors. theta energy: -12.985 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: 8, replica: 3 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -77.867080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.867080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.867080 (E_RNA) where: Base-Base interactions energy: -36.798 where: short stacking energy: -36.798 Base-Backbone interact. energy: -0.008 local terms energy: -41.061532 where: bonds (distance) C4'-P energy: -6.412 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -12.463 flat angles P-C4'-P energy: -11.828 tors. eta vs tors. theta energy: -1.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -87.939803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.939803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.939803 (E_RNA) where: Base-Base interactions energy: -47.473 where: short stacking energy: -35.200 Base-Backbone interact. energy: -0.053 local terms energy: -40.413189 where: bonds (distance) C4'-P energy: -8.954 bonds (distance) P-C4' energy: -11.833 flat angles C4'-P-C4' energy: -12.466 flat angles P-C4'-P energy: -2.895 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: 10, replica: 2 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -80.207034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.207034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.207034 (E_RNA) where: Base-Base interactions energy: -26.945 where: short stacking energy: -25.819 Base-Backbone interact. energy: -0.146 local terms energy: -53.115606 where: bonds (distance) C4'-P energy: -10.750 bonds (distance) P-C4' energy: -16.450 flat angles C4'-P-C4' energy: -12.980 flat angles P-C4'-P energy: -9.404 tors. eta vs tors. theta energy: -3.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -211.514655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.514655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.514655 (E_RNA) where: Base-Base interactions energy: -141.125 where: short stacking energy: -66.358 Base-Backbone interact. energy: 0.253 local terms energy: -70.642743 where: bonds (distance) C4'-P energy: -14.427 bonds (distance) P-C4' energy: -12.889 flat angles C4'-P-C4' energy: -15.022 flat angles P-C4'-P energy: -10.456 tors. eta vs tors. theta energy: -17.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -202.210977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.210977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.210977 (E_RNA) where: Base-Base interactions energy: -137.070 where: short stacking energy: -58.163 Base-Backbone interact. energy: -1.439 local terms energy: -63.701970 where: bonds (distance) C4'-P energy: -11.607 bonds (distance) P-C4' energy: -16.548 flat angles C4'-P-C4' energy: -13.497 flat angles P-C4'-P energy: -5.575 tors. eta vs tors. theta energy: -16.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -214.159258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.159258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.159258 (E_RNA) where: Base-Base interactions energy: -152.939 where: short stacking energy: -67.732 Base-Backbone interact. energy: -0.228 local terms energy: -60.992519 where: bonds (distance) C4'-P energy: -14.182 bonds (distance) P-C4' energy: -14.774 flat angles C4'-P-C4' energy: -13.601 flat angles P-C4'-P energy: -1.435 tors. eta vs tors. theta energy: -17.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -193.734838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.734838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.734838 (E_RNA) where: Base-Base interactions energy: -119.067 where: short stacking energy: -60.995 Base-Backbone interact. energy: -0.012 local terms energy: -74.655894 where: bonds (distance) C4'-P energy: -12.808 bonds (distance) P-C4' energy: -15.732 flat angles C4'-P-C4' energy: -16.638 flat angles P-C4'-P energy: -10.620 tors. eta vs tors. theta energy: -18.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -188.059107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.059107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.059107 (E_RNA) where: Base-Base interactions energy: -121.006 where: short stacking energy: -52.159 Base-Backbone interact. energy: -0.138 local terms energy: -66.914861 where: bonds (distance) C4'-P energy: -13.300 bonds (distance) P-C4' energy: -15.019 flat angles C4'-P-C4' energy: -16.615 flat angles P-C4'-P energy: -8.446 tors. eta vs tors. theta energy: -13.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -171.833906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.833906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.833906 (E_RNA) where: Base-Base interactions energy: -113.017 where: short stacking energy: -36.654 Base-Backbone interact. energy: -0.118 local terms energy: -58.698767 where: bonds (distance) C4'-P energy: -8.965 bonds (distance) P-C4' energy: -14.144 flat angles C4'-P-C4' energy: -15.788 flat angles P-C4'-P energy: -12.122 tors. eta vs tors. theta energy: -7.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -142.996421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.996421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.996421 (E_RNA) where: Base-Base interactions energy: -89.643 where: short stacking energy: -39.370 Base-Backbone interact. energy: -0.291 local terms energy: -53.062460 where: bonds (distance) C4'-P energy: -10.783 bonds (distance) P-C4' energy: -15.767 flat angles C4'-P-C4' energy: -13.660 flat angles P-C4'-P energy: -10.616 tors. eta vs tors. theta energy: -2.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -89.138817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.138817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.138817 (E_RNA) where: Base-Base interactions energy: -38.033 where: short stacking energy: -36.315 Base-Backbone interact. energy: -0.091 local terms energy: -51.015224 where: bonds (distance) C4'-P energy: -10.221 bonds (distance) P-C4' energy: -14.417 flat angles C4'-P-C4' energy: -8.033 flat angles P-C4'-P energy: -11.130 tors. eta vs tors. theta energy: -7.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -77.390535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.390535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.390535 (E_RNA) where: Base-Base interactions energy: -42.600 where: short stacking energy: -37.562 Base-Backbone interact. energy: 0.129 local terms energy: -34.919576 where: bonds (distance) C4'-P energy: -5.800 bonds (distance) P-C4' energy: -9.394 flat angles C4'-P-C4' energy: -11.616 flat angles P-C4'-P energy: -4.976 tors. eta vs tors. theta energy: -3.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -69.298008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.298008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.298008 (E_RNA) where: Base-Base interactions energy: -24.247 where: short stacking energy: -22.688 Base-Backbone interact. energy: 0.761 local terms energy: -45.812369 where: bonds (distance) C4'-P energy: -10.211 bonds (distance) P-C4' energy: -12.924 flat angles C4'-P-C4' energy: -8.388 flat angles P-C4'-P energy: -8.821 tors. eta vs tors. theta energy: -5.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -212.723296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.723296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.723296 (E_RNA) where: Base-Base interactions energy: -133.412 where: short stacking energy: -62.172 Base-Backbone interact. energy: 0.027 local terms energy: -79.338368 where: bonds (distance) C4'-P energy: -16.194 bonds (distance) P-C4' energy: -15.762 flat angles C4'-P-C4' energy: -15.931 flat angles P-C4'-P energy: -13.625 tors. eta vs tors. theta energy: -17.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -216.998005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.998005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.998005 (E_RNA) where: Base-Base interactions energy: -151.586 where: short stacking energy: -61.353 Base-Backbone interact. energy: 0.376 local terms energy: -65.788054 where: bonds (distance) C4'-P energy: -14.254 bonds (distance) P-C4' energy: -13.746 flat angles C4'-P-C4' energy: -14.793 flat angles P-C4'-P energy: -7.591 tors. eta vs tors. theta energy: -15.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -200.716719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.716719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.716719 (E_RNA) where: Base-Base interactions energy: -131.477 where: short stacking energy: -53.015 Base-Backbone interact. energy: -0.602 local terms energy: -68.637648 where: bonds (distance) C4'-P energy: -12.245 bonds (distance) P-C4' energy: -15.938 flat angles C4'-P-C4' energy: -14.859 flat angles P-C4'-P energy: -10.006 tors. eta vs tors. theta energy: -15.589 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: 9 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -191.561850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.561850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.561850 (E_RNA) where: Base-Base interactions energy: -131.303 where: short stacking energy: -52.995 Base-Backbone interact. energy: -0.010 local terms energy: -60.248945 where: bonds (distance) C4'-P energy: -9.588 bonds (distance) P-C4' energy: -12.973 flat angles C4'-P-C4' energy: -16.446 flat angles P-C4'-P energy: -9.754 tors. eta vs tors. theta energy: -11.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -180.973039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.973039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.973039 (E_RNA) where: Base-Base interactions energy: -113.360 where: short stacking energy: -57.306 Base-Backbone interact. energy: -0.030 local terms energy: -67.582637 where: bonds (distance) C4'-P energy: -13.041 bonds (distance) P-C4' energy: -15.241 flat angles C4'-P-C4' energy: -16.504 flat angles P-C4'-P energy: -7.134 tors. eta vs tors. theta energy: -15.663 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: 7 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -168.566129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.566129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.566129 (E_RNA) where: Base-Base interactions energy: -113.360 where: short stacking energy: -50.496 Base-Backbone interact. energy: -0.039 local terms energy: -55.167372 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -10.550 flat angles C4'-P-C4' energy: -13.210 flat angles P-C4'-P energy: -12.124 tors. eta vs tors. theta energy: -11.057 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: 7, replica: 8 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -167.300014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.300014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.300014 (E_RNA) where: Base-Base interactions energy: -117.749 where: short stacking energy: -44.923 Base-Backbone interact. energy: -0.315 local terms energy: -49.236106 where: bonds (distance) C4'-P energy: -10.175 bonds (distance) P-C4' energy: -13.980 flat angles C4'-P-C4' energy: -10.891 flat angles P-C4'-P energy: -7.918 tors. eta vs tors. theta energy: -6.273 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: 2 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -87.383660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.383660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.383660 (E_RNA) where: Base-Base interactions energy: -35.331 where: short stacking energy: -29.925 Base-Backbone interact. energy: -0.001 local terms energy: -52.052239 where: bonds (distance) C4'-P energy: -11.881 bonds (distance) P-C4' energy: -14.660 flat angles C4'-P-C4' energy: -15.050 flat angles P-C4'-P energy: -4.328 tors. eta vs tors. theta energy: -6.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -86.457703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.457703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.457703 (E_RNA) where: Base-Base interactions energy: -29.457 where: short stacking energy: -29.454 Base-Backbone interact. energy: -0.621 local terms energy: -56.380366 where: bonds (distance) C4'-P energy: -13.383 bonds (distance) P-C4' energy: -15.075 flat angles C4'-P-C4' energy: -8.707 flat angles P-C4'-P energy: -10.383 tors. eta vs tors. theta energy: -8.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -86.877776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.877776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.877776 (E_RNA) where: Base-Base interactions energy: -31.660 where: short stacking energy: -28.478 Base-Backbone interact. energy: -0.197 local terms energy: -55.020897 where: bonds (distance) C4'-P energy: -13.681 bonds (distance) P-C4' energy: -13.314 flat angles C4'-P-C4' energy: -13.502 flat angles P-C4'-P energy: -10.053 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: 1, replica: 1 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -213.021146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.021146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.021146 (E_RNA) where: Base-Base interactions energy: -138.021 where: short stacking energy: -63.676 Base-Backbone interact. energy: -0.170 local terms energy: -74.829683 where: bonds (distance) C4'-P energy: -16.053 bonds (distance) P-C4' energy: -17.327 flat angles C4'-P-C4' energy: -13.991 flat angles P-C4'-P energy: -11.181 tors. eta vs tors. theta energy: -16.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -208.637853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.637853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.637853 (E_RNA) where: Base-Base interactions energy: -140.487 where: short stacking energy: -61.887 Base-Backbone interact. energy: -0.004 local terms energy: -68.147189 where: bonds (distance) C4'-P energy: -12.941 bonds (distance) P-C4' energy: -16.519 flat angles C4'-P-C4' energy: -15.236 flat angles P-C4'-P energy: -6.672 tors. eta vs tors. theta energy: -16.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -189.982388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.982388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.982388 (E_RNA) where: Base-Base interactions energy: -130.977 where: short stacking energy: -51.903 Base-Backbone interact. energy: -0.008 local terms energy: -58.997398 where: bonds (distance) C4'-P energy: -12.761 bonds (distance) P-C4' energy: -13.623 flat angles C4'-P-C4' energy: -11.345 flat angles P-C4'-P energy: -8.821 tors. eta vs tors. theta energy: -12.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -203.009854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.009854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.009854 (E_RNA) where: Base-Base interactions energy: -133.793 where: short stacking energy: -62.072 Base-Backbone interact. energy: -0.001 local terms energy: -69.216076 where: bonds (distance) C4'-P energy: -14.513 bonds (distance) P-C4' energy: -15.491 flat angles C4'-P-C4' energy: -12.847 flat angles P-C4'-P energy: -8.409 tors. eta vs tors. theta energy: -17.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -172.913352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.913352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.913352 (E_RNA) where: Base-Base interactions energy: -110.370 where: short stacking energy: -51.120 Base-Backbone interact. energy: -0.206 local terms energy: -62.336936 where: bonds (distance) C4'-P energy: -14.588 bonds (distance) P-C4' energy: -15.256 flat angles C4'-P-C4' energy: -11.859 flat angles P-C4'-P energy: -11.358 tors. eta vs tors. theta energy: -9.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -167.890713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.890713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.890713 (E_RNA) where: Base-Base interactions energy: -108.047 where: short stacking energy: -54.375 Base-Backbone interact. energy: -0.041 local terms energy: -59.803558 where: bonds (distance) C4'-P energy: -8.657 bonds (distance) P-C4' energy: -15.928 flat angles C4'-P-C4' energy: -11.271 flat angles P-C4'-P energy: -11.536 tors. eta vs tors. theta energy: -12.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -161.203447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.203447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.203447 (E_RNA) where: Base-Base interactions energy: -115.984 where: short stacking energy: -45.808 Base-Backbone interact. energy: -0.231 local terms energy: -44.987755 where: bonds (distance) C4'-P energy: -10.613 bonds (distance) P-C4' energy: -8.897 flat angles C4'-P-C4' energy: -12.134 flat angles P-C4'-P energy: -8.865 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: 8, replica: 2 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -84.757861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.757861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.757861 (E_RNA) where: Base-Base interactions energy: -36.341 where: short stacking energy: -36.341 Base-Backbone interact. energy: 0.126 local terms energy: -48.543647 where: bonds (distance) C4'-P energy: -14.626 bonds (distance) P-C4' energy: -13.064 flat angles C4'-P-C4' energy: -7.600 flat angles P-C4'-P energy: -8.365 tors. eta vs tors. theta energy: -4.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -82.750585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.750585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.750585 (E_RNA) where: Base-Base interactions energy: -38.017 where: short stacking energy: -17.324 Base-Backbone interact. energy: -0.447 local terms energy: -44.285962 where: bonds (distance) C4'-P energy: -10.026 bonds (distance) P-C4' energy: -12.494 flat angles C4'-P-C4' energy: -11.850 flat angles P-C4'-P energy: -8.264 tors. eta vs tors. theta energy: -1.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -87.292876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.292876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.292876 (E_RNA) where: Base-Base interactions energy: -39.163 where: short stacking energy: -36.017 Base-Backbone interact. energy: -0.195 local terms energy: -47.934885 where: bonds (distance) C4'-P energy: -9.070 bonds (distance) P-C4' energy: -14.426 flat angles C4'-P-C4' energy: -13.851 flat angles P-C4'-P energy: -6.269 tors. eta vs tors. theta energy: -4.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -212.415659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.415659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.415659 (E_RNA) where: Base-Base interactions energy: -143.186 where: short stacking energy: -71.050 Base-Backbone interact. energy: -0.303 local terms energy: -68.926464 where: bonds (distance) C4'-P energy: -15.872 bonds (distance) P-C4' energy: -14.329 flat angles C4'-P-C4' energy: -15.079 flat angles P-C4'-P energy: -10.046 tors. eta vs tors. theta energy: -13.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -217.339628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.339628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.339628 (E_RNA) where: Base-Base interactions energy: -148.454 where: short stacking energy: -66.645 Base-Backbone interact. energy: -0.851 local terms energy: -68.035383 where: bonds (distance) C4'-P energy: -13.368 bonds (distance) P-C4' energy: -12.961 flat angles C4'-P-C4' energy: -14.897 flat angles P-C4'-P energy: -6.971 tors. eta vs tors. theta energy: -19.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -181.754491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.754491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.754491 (E_RNA) where: Base-Base interactions energy: -116.349 where: short stacking energy: -52.350 Base-Backbone interact. energy: -0.178 local terms energy: -65.227285 where: bonds (distance) C4'-P energy: -13.408 bonds (distance) P-C4' energy: -16.836 flat angles C4'-P-C4' energy: -16.084 flat angles P-C4'-P energy: -8.921 tors. eta vs tors. theta energy: -9.978 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: 4 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -203.764670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.764670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.764670 (E_RNA) where: Base-Base interactions energy: -132.129 where: short stacking energy: -56.238 Base-Backbone interact. energy: -0.014 local terms energy: -71.621909 where: bonds (distance) C4'-P energy: -13.880 bonds (distance) P-C4' energy: -15.896 flat angles C4'-P-C4' energy: -14.019 flat angles P-C4'-P energy: -8.153 tors. eta vs tors. theta energy: -19.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -185.422555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.422555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.422555 (E_RNA) where: Base-Base interactions energy: -120.928 where: short stacking energy: -51.794 Base-Backbone interact. energy: -0.183 local terms energy: -64.311343 where: bonds (distance) C4'-P energy: -6.681 bonds (distance) P-C4' energy: -16.522 flat angles C4'-P-C4' energy: -14.942 flat angles P-C4'-P energy: -11.650 tors. eta vs tors. theta energy: -14.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -172.559647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.559647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.559647 (E_RNA) where: Base-Base interactions energy: -111.796 where: short stacking energy: -48.011 Base-Backbone interact. energy: -0.286 local terms energy: -60.477719 where: bonds (distance) C4'-P energy: -12.362 bonds (distance) P-C4' energy: -15.048 flat angles C4'-P-C4' energy: -11.630 flat angles P-C4'-P energy: -10.243 tors. eta vs tors. theta energy: -11.196 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: 5 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -165.939763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.939763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.939763 (E_RNA) where: Base-Base interactions energy: -98.942 where: short stacking energy: -47.029 Base-Backbone interact. energy: -0.083 local terms energy: -66.915112 where: bonds (distance) C4'-P energy: -15.130 bonds (distance) P-C4' energy: -14.278 flat angles C4'-P-C4' energy: -14.613 flat angles P-C4'-P energy: -9.238 tors. eta vs tors. theta energy: -13.656 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: 8, replica: 6 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -93.622410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.622410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.622410 (E_RNA) where: Base-Base interactions energy: -36.009 where: short stacking energy: -36.009 Base-Backbone interact. energy: 0.546 local terms energy: -58.159492 where: bonds (distance) C4'-P energy: -15.172 bonds (distance) P-C4' energy: -17.516 flat angles C4'-P-C4' energy: -12.221 flat angles P-C4'-P energy: -9.555 tors. eta vs tors. theta energy: -3.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -101.635499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.635499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.635499 (E_RNA) where: Base-Base interactions energy: -50.995 where: short stacking energy: -26.821 Base-Backbone interact. energy: 0.173 local terms energy: -50.813732 where: bonds (distance) C4'-P energy: -14.722 bonds (distance) P-C4' energy: -14.324 flat angles C4'-P-C4' energy: -15.427 flat angles P-C4'-P energy: -6.871 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: 3 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -77.816406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.816406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.816406 (E_RNA) where: Base-Base interactions energy: -32.422 where: short stacking energy: -13.474 Base-Backbone interact. energy: 0.283 local terms energy: -45.677172 where: bonds (distance) C4'-P energy: -12.962 bonds (distance) P-C4' energy: -16.128 flat angles C4'-P-C4' energy: -13.440 flat angles P-C4'-P energy: -4.377 tors. eta vs tors. theta energy: 1.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -222.599838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.599838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.599838 (E_RNA) where: Base-Base interactions energy: -154.643 where: short stacking energy: -55.933 Base-Backbone interact. energy: -0.025 local terms energy: -67.931385 where: bonds (distance) C4'-P energy: -15.102 bonds (distance) P-C4' energy: -13.554 flat angles C4'-P-C4' energy: -12.289 flat angles P-C4'-P energy: -9.498 tors. eta vs tors. theta energy: -17.489 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: 1 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -219.295777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.295777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.295777 (E_RNA) where: Base-Base interactions energy: -154.975 where: short stacking energy: -66.391 Base-Backbone interact. energy: -0.063 local terms energy: -64.257498 where: bonds (distance) C4'-P energy: -10.984 bonds (distance) P-C4' energy: -14.521 flat angles C4'-P-C4' energy: -13.839 flat angles P-C4'-P energy: -7.924 tors. eta vs tors. theta energy: -16.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -199.869265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.869265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.869265 (E_RNA) where: Base-Base interactions energy: -133.941 where: short stacking energy: -61.214 Base-Backbone interact. energy: -0.248 local terms energy: -65.679720 where: bonds (distance) C4'-P energy: -13.388 bonds (distance) P-C4' energy: -12.760 flat angles C4'-P-C4' energy: -14.219 flat angles P-C4'-P energy: -10.467 tors. eta vs tors. theta energy: -14.846 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: 4, replica: 9 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -180.477094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.477094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.477094 (E_RNA) where: Base-Base interactions energy: -116.583 where: short stacking energy: -44.021 Base-Backbone interact. energy: -0.034 local terms energy: -63.859425 where: bonds (distance) C4'-P energy: -15.690 bonds (distance) P-C4' energy: -13.211 flat angles C4'-P-C4' energy: -16.754 flat angles P-C4'-P energy: -5.889 tors. eta vs tors. theta energy: -12.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -172.956778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.956778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.956778 (E_RNA) where: Base-Base interactions energy: -110.073 where: short stacking energy: -50.009 Base-Backbone interact. energy: -0.035 local terms energy: -62.848574 where: bonds (distance) C4'-P energy: -11.907 bonds (distance) P-C4' energy: -13.127 flat angles C4'-P-C4' energy: -16.490 flat angles P-C4'-P energy: -6.919 tors. eta vs tors. theta energy: -14.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -167.496303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.496303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.496303 (E_RNA) where: Base-Base interactions energy: -106.705 where: short stacking energy: -51.181 Base-Backbone interact. energy: -0.088 local terms energy: -60.703738 where: bonds (distance) C4'-P energy: -11.253 bonds (distance) P-C4' energy: -17.781 flat angles C4'-P-C4' energy: -12.013 flat angles P-C4'-P energy: -8.924 tors. eta vs tors. theta energy: -10.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -159.235017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.235017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.235017 (E_RNA) where: Base-Base interactions energy: -100.437 where: short stacking energy: -47.703 Base-Backbone interact. energy: -0.118 local terms energy: -58.680187 where: bonds (distance) C4'-P energy: -13.869 bonds (distance) P-C4' energy: -13.216 flat angles C4'-P-C4' energy: -11.981 flat angles P-C4'-P energy: -7.480 tors. eta vs tors. theta energy: -12.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -105.619557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.619557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.619557 (E_RNA) where: Base-Base interactions energy: -60.794 where: short stacking energy: -35.886 Base-Backbone interact. energy: 0.411 local terms energy: -45.236794 where: bonds (distance) C4'-P energy: -14.833 bonds (distance) P-C4' energy: -10.158 flat angles C4'-P-C4' energy: -12.389 flat angles P-C4'-P energy: -3.436 tors. eta vs tors. theta energy: -4.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -94.203566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.203566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.203566 (E_RNA) where: Base-Base interactions energy: -48.422 where: short stacking energy: -25.809 Base-Backbone interact. energy: -0.007 local terms energy: -45.774977 where: bonds (distance) C4'-P energy: -14.154 bonds (distance) P-C4' energy: -13.179 flat angles C4'-P-C4' energy: -13.979 flat angles P-C4'-P energy: -1.541 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: 10, replica: 2 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -77.584635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.584635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.584635 (E_RNA) where: Base-Base interactions energy: -35.433 where: short stacking energy: -30.421 Base-Backbone interact. energy: -0.784 local terms energy: -41.368143 where: bonds (distance) C4'-P energy: -11.755 bonds (distance) P-C4' energy: -14.029 flat angles C4'-P-C4' energy: -14.450 flat angles P-C4'-P energy: -1.621 tors. eta vs tors. theta energy: 0.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -218.741948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.741948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.741948 (E_RNA) where: Base-Base interactions energy: -146.452 where: short stacking energy: -63.055 Base-Backbone interact. energy: -0.168 local terms energy: -72.122170 where: bonds (distance) C4'-P energy: -15.022 bonds (distance) P-C4' energy: -15.833 flat angles C4'-P-C4' energy: -16.625 flat angles P-C4'-P energy: -10.671 tors. eta vs tors. theta energy: -13.971 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: 2, replica: 1 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -215.647315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.647315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.647315 (E_RNA) where: Base-Base interactions energy: -146.672 where: short stacking energy: -62.163 Base-Backbone interact. energy: -0.003 local terms energy: -68.971884 where: bonds (distance) C4'-P energy: -16.799 bonds (distance) P-C4' energy: -13.908 flat angles C4'-P-C4' energy: -15.485 flat angles P-C4'-P energy: -7.365 tors. eta vs tors. theta energy: -15.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -203.765974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.765974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.765974 (E_RNA) where: Base-Base interactions energy: -140.262 where: short stacking energy: -61.390 Base-Backbone interact. energy: 0.026 local terms energy: -63.530320 where: bonds (distance) C4'-P energy: -16.323 bonds (distance) P-C4' energy: -11.681 flat angles C4'-P-C4' energy: -11.902 flat angles P-C4'-P energy: -9.060 tors. eta vs tors. theta energy: -14.565 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: 8 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -182.569157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.569157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.569157 (E_RNA) where: Base-Base interactions energy: -116.446 where: short stacking energy: -49.518 Base-Backbone interact. energy: -0.216 local terms energy: -65.907445 where: bonds (distance) C4'-P energy: -12.265 bonds (distance) P-C4' energy: -16.511 flat angles C4'-P-C4' energy: -14.630 flat angles P-C4'-P energy: -9.125 tors. eta vs tors. theta energy: -13.376 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: 9 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -198.277366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.277366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.277366 (E_RNA) where: Base-Base interactions energy: -139.555 where: short stacking energy: -53.682 Base-Backbone interact. energy: -0.953 local terms energy: -57.769622 where: bonds (distance) C4'-P energy: -13.388 bonds (distance) P-C4' energy: -9.497 flat angles C4'-P-C4' energy: -13.236 flat angles P-C4'-P energy: -7.929 tors. eta vs tors. theta energy: -13.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -166.821743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.821743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.821743 (E_RNA) where: Base-Base interactions energy: -107.714 where: short stacking energy: -52.259 Base-Backbone interact. energy: -0.002 local terms energy: -59.104846 where: bonds (distance) C4'-P energy: -14.755 bonds (distance) P-C4' energy: -10.723 flat angles C4'-P-C4' energy: -15.322 flat angles P-C4'-P energy: -10.375 tors. eta vs tors. theta energy: -7.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -165.577432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.577432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.577432 (E_RNA) where: Base-Base interactions energy: -105.180 where: short stacking energy: -51.122 Base-Backbone interact. energy: -0.004 local terms energy: -60.393604 where: bonds (distance) C4'-P energy: -10.406 bonds (distance) P-C4' energy: -12.942 flat angles C4'-P-C4' energy: -13.584 flat angles P-C4'-P energy: -9.139 tors. eta vs tors. theta energy: -14.323 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: 3 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -86.774134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.774134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.774134 (E_RNA) where: Base-Base interactions energy: -30.417 where: short stacking energy: -30.417 Base-Backbone interact. energy: -0.175 local terms energy: -56.182196 where: bonds (distance) C4'-P energy: -11.662 bonds (distance) P-C4' energy: -17.255 flat angles C4'-P-C4' energy: -13.180 flat angles P-C4'-P energy: -8.167 tors. eta vs tors. theta energy: -5.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -90.889130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.889130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.889130 (E_RNA) where: Base-Base interactions energy: -37.802 where: short stacking energy: -18.998 Base-Backbone interact. energy: 0.234 local terms energy: -53.321234 where: bonds (distance) C4'-P energy: -15.991 bonds (distance) P-C4' energy: -13.483 flat angles C4'-P-C4' energy: -11.828 flat angles P-C4'-P energy: -4.418 tors. eta vs tors. theta energy: -7.601 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: 2 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -78.708759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.708759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.708759 (E_RNA) where: Base-Base interactions energy: -33.728 where: short stacking energy: -33.728 Base-Backbone interact. energy: -0.105 local terms energy: -44.875357 where: bonds (distance) C4'-P energy: -6.801 bonds (distance) P-C4' energy: -14.212 flat angles C4'-P-C4' energy: -10.665 flat angles P-C4'-P energy: -9.887 tors. eta vs tors. theta energy: -3.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -222.150349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.150349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.150349 (E_RNA) where: Base-Base interactions energy: -151.101 where: short stacking energy: -66.783 Base-Backbone interact. energy: -1.170 local terms energy: -69.879472 where: bonds (distance) C4'-P energy: -13.206 bonds (distance) P-C4' energy: -14.498 flat angles C4'-P-C4' energy: -14.902 flat angles P-C4'-P energy: -9.443 tors. eta vs tors. theta energy: -17.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -212.641298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.641298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.641298 (E_RNA) where: Base-Base interactions energy: -144.601 where: short stacking energy: -56.134 Base-Backbone interact. energy: -0.538 local terms energy: -67.501794 where: bonds (distance) C4'-P energy: -13.748 bonds (distance) P-C4' energy: -11.699 flat angles C4'-P-C4' energy: -15.484 flat angles P-C4'-P energy: -9.071 tors. eta vs tors. theta energy: -17.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -196.904088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.904088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.904088 (E_RNA) where: Base-Base interactions energy: -133.104 where: short stacking energy: -40.853 Base-Backbone interact. energy: -0.043 local terms energy: -63.756961 where: bonds (distance) C4'-P energy: -16.228 bonds (distance) P-C4' energy: -15.208 flat angles C4'-P-C4' energy: -14.614 flat angles P-C4'-P energy: -7.992 tors. eta vs tors. theta energy: -9.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -190.055052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.055052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.055052 (E_RNA) where: Base-Base interactions energy: -130.232 where: short stacking energy: -50.322 Base-Backbone interact. energy: -0.848 local terms energy: -58.975037 where: bonds (distance) C4'-P energy: -15.202 bonds (distance) P-C4' energy: -12.721 flat angles C4'-P-C4' energy: -9.000 flat angles P-C4'-P energy: -8.843 tors. eta vs tors. theta energy: -13.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -198.377283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.377283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.377283 (E_RNA) where: Base-Base interactions energy: -138.554 where: short stacking energy: -52.683 Base-Backbone interact. energy: -0.230 local terms energy: -59.593419 where: bonds (distance) C4'-P energy: -10.694 bonds (distance) P-C4' energy: -13.729 flat angles C4'-P-C4' energy: -13.889 flat angles P-C4'-P energy: -6.541 tors. eta vs tors. theta energy: -14.741 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: 6, replica: 7 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -179.843167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.843167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.843167 (E_RNA) where: Base-Base interactions energy: -119.004 where: short stacking energy: -50.951 Base-Backbone interact. energy: -0.124 local terms energy: -60.714477 where: bonds (distance) C4'-P energy: -11.719 bonds (distance) P-C4' energy: -12.455 flat angles C4'-P-C4' energy: -8.464 flat angles P-C4'-P energy: -11.815 tors. eta vs tors. theta energy: -16.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -179.663555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.663555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.663555 (E_RNA) where: Base-Base interactions energy: -122.765 where: short stacking energy: -59.229 Base-Backbone interact. energy: -0.114 local terms energy: -56.785013 where: bonds (distance) C4'-P energy: -13.648 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -16.234 flat angles P-C4'-P energy: -5.666 tors. eta vs tors. theta energy: -12.382 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: 3 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -80.808737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.808737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.808737 (E_RNA) where: Base-Base interactions energy: -24.471 where: short stacking energy: -21.777 Base-Backbone interact. energy: -0.263 local terms energy: -56.074586 where: bonds (distance) C4'-P energy: -14.207 bonds (distance) P-C4' energy: -15.523 flat angles C4'-P-C4' energy: -11.376 flat angles P-C4'-P energy: -8.953 tors. eta vs tors. theta energy: -6.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -74.683306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.683306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.683306 (E_RNA) where: Base-Base interactions energy: -25.743 where: short stacking energy: -25.743 Base-Backbone interact. energy: -0.055 local terms energy: -48.885370 where: bonds (distance) C4'-P energy: -10.208 bonds (distance) P-C4' energy: -15.988 flat angles C4'-P-C4' energy: -13.116 flat angles P-C4'-P energy: -6.477 tors. eta vs tors. theta energy: -3.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -85.334855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.334855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.334855 (E_RNA) where: Base-Base interactions energy: -41.829 where: short stacking energy: -37.266 Base-Backbone interact. energy: -0.218 local terms energy: -43.288213 where: bonds (distance) C4'-P energy: -13.784 bonds (distance) P-C4' energy: -10.637 flat angles C4'-P-C4' energy: -11.454 flat angles P-C4'-P energy: -3.190 tors. eta vs tors. theta energy: -4.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -223.237198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.237198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.237198 (E_RNA) where: Base-Base interactions energy: -153.655 where: short stacking energy: -68.681 Base-Backbone interact. energy: -0.236 local terms energy: -69.345988 where: bonds (distance) C4'-P energy: -13.517 bonds (distance) P-C4' energy: -16.075 flat angles C4'-P-C4' energy: -15.068 flat angles P-C4'-P energy: -5.258 tors. eta vs tors. theta energy: -19.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -200.650773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.650773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.650773 (E_RNA) where: Base-Base interactions energy: -125.440 where: short stacking energy: -67.360 Base-Backbone interact. energy: -0.000 local terms energy: -75.209877 where: bonds (distance) C4'-P energy: -14.759 bonds (distance) P-C4' energy: -16.168 flat angles C4'-P-C4' energy: -14.486 flat angles P-C4'-P energy: -10.699 tors. eta vs tors. theta energy: -19.098 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: 137 Temperature: 1.000000 Total energy: -203.816142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.816142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.816142 (E_RNA) where: Base-Base interactions energy: -138.599 where: short stacking energy: -61.286 Base-Backbone interact. energy: -0.161 local terms energy: -65.056066 where: bonds (distance) C4'-P energy: -14.865 bonds (distance) P-C4' energy: -11.710 flat angles C4'-P-C4' energy: -14.148 flat angles P-C4'-P energy: -5.701 tors. eta vs tors. theta energy: -18.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -194.110347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.110347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.110347 (E_RNA) where: Base-Base interactions energy: -130.972 where: short stacking energy: -59.768 Base-Backbone interact. energy: -0.061 local terms energy: -63.077513 where: bonds (distance) C4'-P energy: -14.970 bonds (distance) P-C4' energy: -13.658 flat angles C4'-P-C4' energy: -11.565 flat angles P-C4'-P energy: -7.632 tors. eta vs tors. theta energy: -15.253 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: 5, replica: 4 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -195.535241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.535241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.535241 (E_RNA) where: Base-Base interactions energy: -127.149 where: short stacking energy: -52.163 Base-Backbone interact. energy: -0.073 local terms energy: -68.313877 where: bonds (distance) C4'-P energy: -14.249 bonds (distance) P-C4' energy: -13.941 flat angles C4'-P-C4' energy: -16.388 flat angles P-C4'-P energy: -8.572 tors. eta vs tors. theta energy: -15.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -183.966385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.966385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.966385 (E_RNA) where: Base-Base interactions energy: -122.304 where: short stacking energy: -51.884 Base-Backbone interact. energy: -0.122 local terms energy: -61.540752 where: bonds (distance) C4'-P energy: -12.772 bonds (distance) P-C4' energy: -13.860 flat angles C4'-P-C4' energy: -14.674 flat angles P-C4'-P energy: -8.285 tors. eta vs tors. theta energy: -11.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -164.078425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.078425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.078425 (E_RNA) where: Base-Base interactions energy: -105.900 where: short stacking energy: -47.913 Base-Backbone interact. energy: -0.295 local terms energy: -57.882950 where: bonds (distance) C4'-P energy: -13.516 bonds (distance) P-C4' energy: -10.715 flat angles C4'-P-C4' energy: -13.754 flat angles P-C4'-P energy: -7.290 tors. eta vs tors. theta energy: -12.608 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: 8, replica: 6 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -99.094849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.094849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.094849 (E_RNA) where: Base-Base interactions energy: -58.400 where: short stacking energy: -31.402 Base-Backbone interact. energy: -0.180 local terms energy: -40.514988 where: bonds (distance) C4'-P energy: -6.494 bonds (distance) P-C4' energy: -14.811 flat angles C4'-P-C4' energy: -11.368 flat angles P-C4'-P energy: -5.105 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: 9, replica: 3 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -75.584255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.584255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.584255 (E_RNA) where: Base-Base interactions energy: -35.100 where: short stacking energy: -27.250 Base-Backbone interact. energy: -0.020 local terms energy: -40.464544 where: bonds (distance) C4'-P energy: -6.897 bonds (distance) P-C4' energy: -15.759 flat angles C4'-P-C4' energy: -10.907 flat angles P-C4'-P energy: -5.779 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: 10, replica: 2 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -85.389759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.389759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.389759 (E_RNA) where: Base-Base interactions energy: -38.328 where: short stacking energy: -18.791 Base-Backbone interact. energy: 0.556 local terms energy: -47.617866 where: bonds (distance) C4'-P energy: -12.092 bonds (distance) P-C4' energy: -16.869 flat angles C4'-P-C4' energy: -13.827 flat angles P-C4'-P energy: -0.726 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: 1, replica: 1 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -225.673576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.673576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.673576 (E_RNA) where: Base-Base interactions energy: -160.677 where: short stacking energy: -64.251 Base-Backbone interact. energy: -0.481 local terms energy: -64.515277 where: bonds (distance) C4'-P energy: -11.803 bonds (distance) P-C4' energy: -13.821 flat angles C4'-P-C4' energy: -16.416 flat angles P-C4'-P energy: -9.254 tors. eta vs tors. theta energy: -13.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -198.664630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.664630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.664630 (E_RNA) where: Base-Base interactions energy: -132.930 where: short stacking energy: -66.039 Base-Backbone interact. energy: -0.073 local terms energy: -65.661739 where: bonds (distance) C4'-P energy: -12.593 bonds (distance) P-C4' energy: -15.233 flat angles C4'-P-C4' energy: -17.121 flat angles P-C4'-P energy: -5.612 tors. eta vs tors. theta energy: -15.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -203.503314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.503314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.503314 (E_RNA) where: Base-Base interactions energy: -136.816 where: short stacking energy: -62.862 Base-Backbone interact. energy: -0.004 local terms energy: -66.682687 where: bonds (distance) C4'-P energy: -12.121 bonds (distance) P-C4' energy: -16.164 flat angles C4'-P-C4' energy: -14.433 flat angles P-C4'-P energy: -8.014 tors. eta vs tors. theta energy: -15.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -187.991641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.991641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.991641 (E_RNA) where: Base-Base interactions energy: -122.275 where: short stacking energy: -57.655 Base-Backbone interact. energy: -0.034 local terms energy: -65.682511 where: bonds (distance) C4'-P energy: -13.934 bonds (distance) P-C4' energy: -14.005 flat angles C4'-P-C4' energy: -16.363 flat angles P-C4'-P energy: -7.824 tors. eta vs tors. theta energy: -13.557 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: 5, replica: 5 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -185.801633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.801633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.801633 (E_RNA) where: Base-Base interactions energy: -125.475 where: short stacking energy: -50.736 Base-Backbone interact. energy: 0.433 local terms energy: -60.759535 where: bonds (distance) C4'-P energy: -14.791 bonds (distance) P-C4' energy: -17.130 flat angles C4'-P-C4' energy: -15.303 flat angles P-C4'-P energy: -6.454 tors. eta vs tors. theta energy: -7.081 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: 4 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -187.532978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.532978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.532978 (E_RNA) where: Base-Base interactions energy: -125.597 where: short stacking energy: -55.273 Base-Backbone interact. energy: 0.360 local terms energy: -62.295942 where: bonds (distance) C4'-P energy: -12.513 bonds (distance) P-C4' energy: -14.889 flat angles C4'-P-C4' energy: -9.214 flat angles P-C4'-P energy: -8.545 tors. eta vs tors. theta energy: -17.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -154.619548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.619548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.619548 (E_RNA) where: Base-Base interactions energy: -99.287 where: short stacking energy: -43.622 Base-Backbone interact. energy: 0.133 local terms energy: -55.465640 where: bonds (distance) C4'-P energy: -12.627 bonds (distance) P-C4' energy: -14.414 flat angles C4'-P-C4' energy: -10.553 flat angles P-C4'-P energy: -9.964 tors. eta vs tors. theta energy: -7.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -105.308108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.308108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.308108 (E_RNA) where: Base-Base interactions energy: -58.496 where: short stacking energy: -34.268 Base-Backbone interact. energy: 1.496 local terms energy: -48.308614 where: bonds (distance) C4'-P energy: -9.261 bonds (distance) P-C4' energy: -15.727 flat angles C4'-P-C4' energy: -11.632 flat angles P-C4'-P energy: -9.882 tors. eta vs tors. theta energy: -1.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -79.159777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.159777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.159777 (E_RNA) where: Base-Base interactions energy: -26.723 where: short stacking energy: -19.568 Base-Backbone interact. energy: -0.329 local terms energy: -52.106874 where: bonds (distance) C4'-P energy: -13.090 bonds (distance) P-C4' energy: -11.187 flat angles C4'-P-C4' energy: -9.743 flat angles P-C4'-P energy: -10.539 tors. eta vs tors. theta energy: -7.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -75.211757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.211757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.211757 (E_RNA) where: Base-Base interactions energy: -19.737 where: short stacking energy: -20.393 Base-Backbone interact. energy: -0.284 local terms energy: -55.190009 where: bonds (distance) C4'-P energy: -11.989 bonds (distance) P-C4' energy: -14.514 flat angles C4'-P-C4' energy: -13.585 flat angles P-C4'-P energy: -9.350 tors. eta vs tors. theta energy: -5.752 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: 1 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -220.920015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.920015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.920015 (E_RNA) where: Base-Base interactions energy: -148.952 where: short stacking energy: -65.326 Base-Backbone interact. energy: -0.831 local terms energy: -71.136948 where: bonds (distance) C4'-P energy: -15.744 bonds (distance) P-C4' energy: -14.405 flat angles C4'-P-C4' energy: -13.778 flat angles P-C4'-P energy: -9.630 tors. eta vs tors. theta energy: -17.580 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: 2, replica: 8 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -204.730962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.730962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.730962 (E_RNA) where: Base-Base interactions energy: -132.412 where: short stacking energy: -65.715 Base-Backbone interact. energy: -0.001 local terms energy: -72.318601 where: bonds (distance) C4'-P energy: -10.949 bonds (distance) P-C4' energy: -13.729 flat angles C4'-P-C4' energy: -14.972 flat angles P-C4'-P energy: -14.305 tors. eta vs tors. theta energy: -18.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -196.749734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.749734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.749734 (E_RNA) where: Base-Base interactions energy: -133.967 where: short stacking energy: -59.283 Base-Backbone interact. energy: -0.002 local terms energy: -62.781535 where: bonds (distance) C4'-P energy: -10.163 bonds (distance) P-C4' energy: -13.840 flat angles C4'-P-C4' energy: -14.235 flat angles P-C4'-P energy: -8.719 tors. eta vs tors. theta energy: -15.825 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: 4, replica: 5 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -188.953305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.953305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.953305 (E_RNA) where: Base-Base interactions energy: -130.211 where: short stacking energy: -47.396 Base-Backbone interact. energy: 0.141 local terms energy: -58.883994 where: bonds (distance) C4'-P energy: -12.479 bonds (distance) P-C4' energy: -15.403 flat angles C4'-P-C4' energy: -14.047 flat angles P-C4'-P energy: -6.990 tors. eta vs tors. theta energy: -9.966 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: 10 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -193.344584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.344584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.344584 (E_RNA) where: Base-Base interactions energy: -126.061 where: short stacking energy: -52.001 Base-Backbone interact. energy: -0.001 local terms energy: -67.282729 where: bonds (distance) C4'-P energy: -14.464 bonds (distance) P-C4' energy: -17.799 flat angles C4'-P-C4' energy: -13.511 flat angles P-C4'-P energy: -5.314 tors. eta vs tors. theta energy: -16.195 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: 4 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -168.002277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.002277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.002277 (E_RNA) where: Base-Base interactions energy: -110.087 where: short stacking energy: -42.873 Base-Backbone interact. energy: -0.106 local terms energy: -57.809854 where: bonds (distance) C4'-P energy: -13.140 bonds (distance) P-C4' energy: -12.728 flat angles C4'-P-C4' energy: -14.732 flat angles P-C4'-P energy: -3.979 tors. eta vs tors. theta energy: -13.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -152.768899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.768899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.768899 (E_RNA) where: Base-Base interactions energy: -101.296 where: short stacking energy: -33.524 Base-Backbone interact. energy: -0.153 local terms energy: -51.320370 where: bonds (distance) C4'-P energy: -14.071 bonds (distance) P-C4' energy: -10.307 flat angles C4'-P-C4' energy: -13.540 flat angles P-C4'-P energy: -4.993 tors. eta vs tors. theta energy: -8.411 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: 139 Temperature: 1.250000 Total energy: -88.745326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.745326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.745326 (E_RNA) where: Base-Base interactions energy: -43.912 where: short stacking energy: -28.525 Base-Backbone interact. energy: 0.291 local terms energy: -45.124265 where: bonds (distance) C4'-P energy: -6.495 bonds (distance) P-C4' energy: -14.342 flat angles C4'-P-C4' energy: -11.382 flat angles P-C4'-P energy: -7.213 tors. eta vs tors. theta energy: -5.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -110.125573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.125573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.125573 (E_RNA) where: Base-Base interactions energy: -53.089 where: short stacking energy: -28.057 Base-Backbone interact. energy: -0.703 local terms energy: -56.333385 where: bonds (distance) C4'-P energy: -14.224 bonds (distance) P-C4' energy: -16.038 flat angles C4'-P-C4' energy: -14.208 flat angles P-C4'-P energy: -5.816 tors. eta vs tors. theta energy: -6.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -78.301182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.301182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.301182 (E_RNA) where: Base-Base interactions energy: -40.233 where: short stacking energy: -40.233 Base-Backbone interact. energy: -0.268 local terms energy: -37.800755 where: bonds (distance) C4'-P energy: -12.191 bonds (distance) P-C4' energy: -11.803 flat angles C4'-P-C4' energy: -11.261 flat angles P-C4'-P energy: 2.944 tors. eta vs tors. theta energy: -5.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -223.429069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.429069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.429069 (E_RNA) where: Base-Base interactions energy: -156.482 where: short stacking energy: -64.440 Base-Backbone interact. energy: -0.017 local terms energy: -66.929980 where: bonds (distance) C4'-P energy: -14.277 bonds (distance) P-C4' energy: -14.240 flat angles C4'-P-C4' energy: -12.591 flat angles P-C4'-P energy: -11.150 tors. eta vs tors. theta energy: -14.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -195.347200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.347200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.347200 (E_RNA) where: Base-Base interactions energy: -123.853 where: short stacking energy: -59.212 Base-Backbone interact. energy: -0.066 local terms energy: -71.428129 where: bonds (distance) C4'-P energy: -14.978 bonds (distance) P-C4' energy: -15.039 flat angles C4'-P-C4' energy: -15.896 flat angles P-C4'-P energy: -10.644 tors. eta vs tors. theta energy: -14.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -216.751342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.751342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.751342 (E_RNA) where: Base-Base interactions energy: -149.615 where: short stacking energy: -58.729 Base-Backbone interact. energy: -0.131 local terms energy: -67.005351 where: bonds (distance) C4'-P energy: -16.203 bonds (distance) P-C4' energy: -12.792 flat angles C4'-P-C4' energy: -16.141 flat angles P-C4'-P energy: -8.806 tors. eta vs tors. theta energy: -13.062 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: 140 Temperature: 1.050000 Total energy: -176.485485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.485485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.485485 (E_RNA) where: Base-Base interactions energy: -116.591 where: short stacking energy: -45.411 Base-Backbone interact. energy: 2.019 local terms energy: -61.912858 where: bonds (distance) C4'-P energy: -15.293 bonds (distance) P-C4' energy: -16.579 flat angles C4'-P-C4' energy: -9.336 flat angles P-C4'-P energy: -5.876 tors. eta vs tors. theta energy: -14.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -181.680243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.680243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.680243 (E_RNA) where: Base-Base interactions energy: -117.729 where: short stacking energy: -58.896 Base-Backbone interact. energy: -0.014 local terms energy: -63.936770 where: bonds (distance) C4'-P energy: -11.963 bonds (distance) P-C4' energy: -17.058 flat angles C4'-P-C4' energy: -11.066 flat angles P-C4'-P energy: -8.324 tors. eta vs tors. theta energy: -15.525 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: 10 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -183.387114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.387114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.387114 (E_RNA) where: Base-Base interactions energy: -122.054 where: short stacking energy: -51.777 Base-Backbone interact. energy: 0.309 local terms energy: -61.642100 where: bonds (distance) C4'-P energy: -13.695 bonds (distance) P-C4' energy: -12.757 flat angles C4'-P-C4' energy: -13.586 flat angles P-C4'-P energy: -8.815 tors. eta vs tors. theta energy: -12.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -162.284968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.284968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.284968 (E_RNA) where: Base-Base interactions energy: -98.154 where: short stacking energy: -41.471 Base-Backbone interact. energy: -0.226 local terms energy: -63.904976 where: bonds (distance) C4'-P energy: -12.654 bonds (distance) P-C4' energy: -16.918 flat angles C4'-P-C4' energy: -13.694 flat angles P-C4'-P energy: -9.827 tors. eta vs tors. theta energy: -10.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -101.570319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.570319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.570319 (E_RNA) where: Base-Base interactions energy: -56.444 where: short stacking energy: -30.501 Base-Backbone interact. energy: -0.445 local terms energy: -44.682029 where: bonds (distance) C4'-P energy: -14.076 bonds (distance) P-C4' energy: -12.573 flat angles C4'-P-C4' energy: -6.695 flat angles P-C4'-P energy: -12.021 tors. eta vs tors. theta energy: 0.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -83.517728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.517728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.517728 (E_RNA) where: Base-Base interactions energy: -42.293 where: short stacking energy: -42.793 Base-Backbone interact. energy: -0.117 local terms energy: -41.107874 where: bonds (distance) C4'-P energy: -7.401 bonds (distance) P-C4' energy: -9.843 flat angles C4'-P-C4' energy: -11.632 flat angles P-C4'-P energy: -4.892 tors. eta vs tors. theta energy: -7.340 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: 6 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -81.514734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.514734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.514734 (E_RNA) where: Base-Base interactions energy: -35.345 where: short stacking energy: -35.445 Base-Backbone interact. energy: -0.524 local terms energy: -45.645164 where: bonds (distance) C4'-P energy: -16.703 bonds (distance) P-C4' energy: -16.020 flat angles C4'-P-C4' energy: -9.363 flat angles P-C4'-P energy: -2.961 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: 1, replica: 1 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -223.656146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.656146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.656146 (E_RNA) where: Base-Base interactions energy: -156.200 where: short stacking energy: -70.613 Base-Backbone interact. energy: 0.436 local terms energy: -67.892368 where: bonds (distance) C4'-P energy: -13.834 bonds (distance) P-C4' energy: -13.966 flat angles C4'-P-C4' energy: -14.595 flat angles P-C4'-P energy: -8.650 tors. eta vs tors. theta energy: -16.848 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: 5 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -218.136896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.136896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.136896 (E_RNA) where: Base-Base interactions energy: -152.406 where: short stacking energy: -55.182 Base-Backbone interact. energy: 0.003 local terms energy: -65.733545 where: bonds (distance) C4'-P energy: -14.510 bonds (distance) P-C4' energy: -15.046 flat angles C4'-P-C4' energy: -14.361 flat angles P-C4'-P energy: -7.579 tors. eta vs tors. theta energy: -14.238 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: 141 Temperature: 1.000000 Total energy: -197.569937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.569937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.569937 (E_RNA) where: Base-Base interactions energy: -126.100 where: short stacking energy: -63.619 Base-Backbone interact. energy: -0.028 local terms energy: -71.442081 where: bonds (distance) C4'-P energy: -13.918 bonds (distance) P-C4' energy: -15.928 flat angles C4'-P-C4' energy: -12.341 flat angles P-C4'-P energy: -10.762 tors. eta vs tors. theta energy: -18.493 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: 4 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -178.588159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.588159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.588159 (E_RNA) where: Base-Base interactions energy: -118.199 where: short stacking energy: -58.308 Base-Backbone interact. energy: -0.588 local terms energy: -59.801170 where: bonds (distance) C4'-P energy: -11.599 bonds (distance) P-C4' energy: -11.089 flat angles C4'-P-C4' energy: -13.198 flat angles P-C4'-P energy: -9.317 tors. eta vs tors. theta energy: -14.598 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: 9 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -177.241820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.241820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.241820 (E_RNA) where: Base-Base interactions energy: -123.816 where: short stacking energy: -44.348 Base-Backbone interact. energy: -0.972 local terms energy: -52.453643 where: bonds (distance) C4'-P energy: -8.953 bonds (distance) P-C4' energy: -15.285 flat angles C4'-P-C4' energy: -11.514 flat angles P-C4'-P energy: -7.541 tors. eta vs tors. theta energy: -9.160 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: 6, replica: 10 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -193.594091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.594091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.594091 (E_RNA) where: Base-Base interactions energy: -133.256 where: short stacking energy: -56.463 Base-Backbone interact. energy: -0.000 local terms energy: -60.338178 where: bonds (distance) C4'-P energy: -13.284 bonds (distance) P-C4' energy: -12.501 flat angles C4'-P-C4' energy: -11.118 flat angles P-C4'-P energy: -7.801 tors. eta vs tors. theta energy: -15.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -167.937587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.937587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.937587 (E_RNA) where: Base-Base interactions energy: -111.351 where: short stacking energy: -46.781 Base-Backbone interact. energy: -1.059 local terms energy: -55.528176 where: bonds (distance) C4'-P energy: -11.847 bonds (distance) P-C4' energy: -16.238 flat angles C4'-P-C4' energy: -13.118 flat angles P-C4'-P energy: -4.228 tors. eta vs tors. theta energy: -10.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -104.234412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.234412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.234412 (E_RNA) where: Base-Base interactions energy: -48.959 where: short stacking energy: -37.610 Base-Backbone interact. energy: -0.098 local terms energy: -55.176908 where: bonds (distance) C4'-P energy: -12.565 bonds (distance) P-C4' energy: -14.740 flat angles C4'-P-C4' energy: -15.116 flat angles P-C4'-P energy: -6.943 tors. eta vs tors. theta energy: -5.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -87.200328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.200328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.200328 (E_RNA) where: Base-Base interactions energy: -40.321 where: short stacking energy: -17.294 Base-Backbone interact. energy: -1.434 local terms energy: -45.445927 where: bonds (distance) C4'-P energy: -10.689 bonds (distance) P-C4' energy: -14.296 flat angles C4'-P-C4' energy: -14.013 flat angles P-C4'-P energy: -5.061 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: 6 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -78.723694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.723694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.723694 (E_RNA) where: Base-Base interactions energy: -30.683 where: short stacking energy: -30.683 Base-Backbone interact. energy: -0.044 local terms energy: -47.995858 where: bonds (distance) C4'-P energy: -14.180 bonds (distance) P-C4' energy: -11.598 flat angles C4'-P-C4' energy: -8.578 flat angles P-C4'-P energy: -8.935 tors. eta vs tors. theta energy: -4.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -221.200294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.200294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.200294 (E_RNA) where: Base-Base interactions energy: -146.525 where: short stacking energy: -70.213 Base-Backbone interact. energy: -0.184 local terms energy: -74.492047 where: bonds (distance) C4'-P energy: -17.763 bonds (distance) P-C4' energy: -16.185 flat angles C4'-P-C4' energy: -14.763 flat angles P-C4'-P energy: -9.680 tors. eta vs tors. theta energy: -16.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -223.551476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.551476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.551476 (E_RNA) where: Base-Base interactions energy: -156.861 where: short stacking energy: -54.842 Base-Backbone interact. energy: -0.072 local terms energy: -66.618731 where: bonds (distance) C4'-P energy: -13.188 bonds (distance) P-C4' energy: -15.474 flat angles C4'-P-C4' energy: -14.428 flat angles P-C4'-P energy: -7.863 tors. eta vs tors. theta energy: -15.666 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: 8 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -186.466362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.466362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.466362 (E_RNA) where: Base-Base interactions energy: -122.830 where: short stacking energy: -51.522 Base-Backbone interact. energy: -0.176 local terms energy: -63.460531 where: bonds (distance) C4'-P energy: -15.822 bonds (distance) P-C4' energy: -12.140 flat angles C4'-P-C4' energy: -11.215 flat angles P-C4'-P energy: -10.409 tors. eta vs tors. theta energy: -13.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -173.333195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.333195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.333195 (E_RNA) where: Base-Base interactions energy: -110.359 where: short stacking energy: -54.707 Base-Backbone interact. energy: -0.093 local terms energy: -62.881957 where: bonds (distance) C4'-P energy: -14.235 bonds (distance) P-C4' energy: -13.228 flat angles C4'-P-C4' energy: -14.236 flat angles P-C4'-P energy: -10.011 tors. eta vs tors. theta energy: -11.172 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: 142 Temperature: 1.100000 Total energy: -183.159677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.159677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.159677 (E_RNA) where: Base-Base interactions energy: -125.092 where: short stacking energy: -43.011 Base-Backbone interact. energy: 1.604 local terms energy: -59.672144 where: bonds (distance) C4'-P energy: -14.871 bonds (distance) P-C4' energy: -13.755 flat angles C4'-P-C4' energy: -14.680 flat angles P-C4'-P energy: -9.019 tors. eta vs tors. theta energy: -7.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -186.776306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.776306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.776306 (E_RNA) where: Base-Base interactions energy: -125.806 where: short stacking energy: -46.305 Base-Backbone interact. energy: -0.115 local terms energy: -60.855959 where: bonds (distance) C4'-P energy: -11.948 bonds (distance) P-C4' energy: -14.802 flat angles C4'-P-C4' energy: -12.156 flat angles P-C4'-P energy: -8.195 tors. eta vs tors. theta energy: -13.755 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: 7 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -174.507372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.507372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.507372 (E_RNA) where: Base-Base interactions energy: -108.219 where: short stacking energy: -57.397 Base-Backbone interact. energy: -0.010 local terms energy: -66.278164 where: bonds (distance) C4'-P energy: -13.645 bonds (distance) P-C4' energy: -16.995 flat angles C4'-P-C4' energy: -13.676 flat angles P-C4'-P energy: -4.774 tors. eta vs tors. theta energy: -17.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -88.171912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.171912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.171912 (E_RNA) where: Base-Base interactions energy: -51.031 where: short stacking energy: -30.311 Base-Backbone interact. energy: 2.896 local terms energy: -40.036915 where: bonds (distance) C4'-P energy: -11.789 bonds (distance) P-C4' energy: -14.346 flat angles C4'-P-C4' energy: -11.293 flat angles P-C4'-P energy: -1.645 tors. eta vs tors. theta energy: -0.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -76.393861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.393861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.393861 (E_RNA) where: Base-Base interactions energy: -23.509 where: short stacking energy: -22.905 Base-Backbone interact. energy: -0.119 local terms energy: -52.766026 where: bonds (distance) C4'-P energy: -12.663 bonds (distance) P-C4' energy: -15.364 flat angles C4'-P-C4' energy: -9.191 flat angles P-C4'-P energy: -7.143 tors. eta vs tors. theta energy: -8.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -72.882087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.882087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.882087 (E_RNA) where: Base-Base interactions energy: -25.353 where: short stacking energy: -25.353 Base-Backbone interact. energy: -0.071 local terms energy: -47.457544 where: bonds (distance) C4'-P energy: -9.305 bonds (distance) P-C4' energy: -15.646 flat angles C4'-P-C4' energy: -8.572 flat angles P-C4'-P energy: -10.995 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: 1, replica: 1 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -216.770490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.770490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.770490 (E_RNA) where: Base-Base interactions energy: -148.012 where: short stacking energy: -63.088 Base-Backbone interact. energy: -0.361 local terms energy: -68.398218 where: bonds (distance) C4'-P energy: -16.055 bonds (distance) P-C4' energy: -13.382 flat angles C4'-P-C4' energy: -16.883 flat angles P-C4'-P energy: -7.322 tors. eta vs tors. theta energy: -14.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -216.628198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.628198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.628198 (E_RNA) where: Base-Base interactions energy: -150.688 where: short stacking energy: -57.514 Base-Backbone interact. energy: -0.002 local terms energy: -65.938294 where: bonds (distance) C4'-P energy: -10.522 bonds (distance) P-C4' energy: -17.556 flat angles C4'-P-C4' energy: -14.093 flat angles P-C4'-P energy: -10.602 tors. eta vs tors. theta energy: -13.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -204.601856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.601856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.601856 (E_RNA) where: Base-Base interactions energy: -132.561 where: short stacking energy: -74.311 Base-Backbone interact. energy: -0.002 local terms energy: -72.039335 where: bonds (distance) C4'-P energy: -11.706 bonds (distance) P-C4' energy: -15.554 flat angles C4'-P-C4' energy: -15.216 flat angles P-C4'-P energy: -9.812 tors. eta vs tors. theta energy: -19.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -192.065691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.065691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.065691 (E_RNA) where: Base-Base interactions energy: -131.314 where: short stacking energy: -48.181 Base-Backbone interact. energy: -0.187 local terms energy: -60.565029 where: bonds (distance) C4'-P energy: -14.182 bonds (distance) P-C4' energy: -10.346 flat angles C4'-P-C4' energy: -13.824 flat angles P-C4'-P energy: -10.480 tors. eta vs tors. theta energy: -11.732 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: 5, replica: 4 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -193.360360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.360360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.360360 (E_RNA) where: Base-Base interactions energy: -128.016 where: short stacking energy: -62.961 Base-Backbone interact. energy: -0.095 local terms energy: -65.249655 where: bonds (distance) C4'-P energy: -9.952 bonds (distance) P-C4' energy: -14.429 flat angles C4'-P-C4' energy: -13.271 flat angles P-C4'-P energy: -11.044 tors. eta vs tors. theta energy: -16.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -171.970039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.970039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.970039 (E_RNA) where: Base-Base interactions energy: -117.571 where: short stacking energy: -39.379 Base-Backbone interact. energy: -0.736 local terms energy: -53.663337 where: bonds (distance) C4'-P energy: -14.344 bonds (distance) P-C4' energy: -7.546 flat angles C4'-P-C4' energy: -13.563 flat angles P-C4'-P energy: -12.398 tors. eta vs tors. theta energy: -5.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -171.124495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.124495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.124495 (E_RNA) where: Base-Base interactions energy: -104.473 where: short stacking energy: -49.315 Base-Backbone interact. energy: -0.096 local terms energy: -66.555714 where: bonds (distance) C4'-P energy: -15.156 bonds (distance) P-C4' energy: -15.774 flat angles C4'-P-C4' energy: -13.716 flat angles P-C4'-P energy: -7.202 tors. eta vs tors. theta energy: -14.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -114.469364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.469364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.469364 (E_RNA) where: Base-Base interactions energy: -59.111 where: short stacking energy: -32.122 Base-Backbone interact. energy: -0.047 local terms energy: -55.311104 where: bonds (distance) C4'-P energy: -14.899 bonds (distance) P-C4' energy: -14.802 flat angles C4'-P-C4' energy: -14.939 flat angles P-C4'-P energy: -5.786 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: 9, replica: 2 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -86.519428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.519428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.519428 (E_RNA) where: Base-Base interactions energy: -37.109 where: short stacking energy: -26.754 Base-Backbone interact. energy: 0.510 local terms energy: -49.920534 where: bonds (distance) C4'-P energy: -13.190 bonds (distance) P-C4' energy: -15.572 flat angles C4'-P-C4' energy: -9.373 flat angles P-C4'-P energy: -10.425 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: 6 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -75.698370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.698370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.698370 (E_RNA) where: Base-Base interactions energy: -19.833 where: short stacking energy: -19.470 Base-Backbone interact. energy: -0.106 local terms energy: -55.759996 where: bonds (distance) C4'-P energy: -13.197 bonds (distance) P-C4' energy: -13.468 flat angles C4'-P-C4' energy: -15.838 flat angles P-C4'-P energy: -7.896 tors. eta vs tors. theta energy: -5.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -230.479566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.479566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.479566 (E_RNA) where: Base-Base interactions energy: -163.088 where: short stacking energy: -63.857 Base-Backbone interact. energy: -0.017 local terms energy: -67.374864 where: bonds (distance) C4'-P energy: -12.469 bonds (distance) P-C4' energy: -14.419 flat angles C4'-P-C4' energy: -15.065 flat angles P-C4'-P energy: -9.026 tors. eta vs tors. theta energy: -16.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -216.329688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.329688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.329688 (E_RNA) where: Base-Base interactions energy: -152.099 where: short stacking energy: -72.989 Base-Backbone interact. energy: -0.464 local terms energy: -63.766296 where: bonds (distance) C4'-P energy: -9.347 bonds (distance) P-C4' energy: -14.961 flat angles C4'-P-C4' energy: -16.063 flat angles P-C4'-P energy: -6.523 tors. eta vs tors. theta energy: -16.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -184.206134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.206134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.206134 (E_RNA) where: Base-Base interactions energy: -121.539 where: short stacking energy: -54.033 Base-Backbone interact. energy: -0.032 local terms energy: -62.635992 where: bonds (distance) C4'-P energy: -11.732 bonds (distance) P-C4' energy: -12.976 flat angles C4'-P-C4' energy: -14.188 flat angles P-C4'-P energy: -11.863 tors. eta vs tors. theta energy: -11.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -192.814305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.814305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.814305 (E_RNA) where: Base-Base interactions energy: -134.848 where: short stacking energy: -43.741 Base-Backbone interact. energy: -0.190 local terms energy: -57.776142 where: bonds (distance) C4'-P energy: -13.611 bonds (distance) P-C4' energy: -12.852 flat angles C4'-P-C4' energy: -11.378 flat angles P-C4'-P energy: -8.386 tors. eta vs tors. theta energy: -11.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -189.762069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.762069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.762069 (E_RNA) where: Base-Base interactions energy: -121.993 where: short stacking energy: -57.623 Base-Backbone interact. energy: -0.013 local terms energy: -67.756059 where: bonds (distance) C4'-P energy: -10.315 bonds (distance) P-C4' energy: -11.669 flat angles C4'-P-C4' energy: -13.493 flat angles P-C4'-P energy: -11.705 tors. eta vs tors. theta energy: -20.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -174.946221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.946221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.946221 (E_RNA) where: Base-Base interactions energy: -114.381 where: short stacking energy: -52.642 Base-Backbone interact. energy: -0.049 local terms energy: -60.516262 where: bonds (distance) C4'-P energy: -11.588 bonds (distance) P-C4' energy: -12.536 flat angles C4'-P-C4' energy: -12.291 flat angles P-C4'-P energy: -9.702 tors. eta vs tors. theta energy: -14.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -126.697171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.697171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.697171 (E_RNA) where: Base-Base interactions energy: -72.998 where: short stacking energy: -37.622 Base-Backbone interact. energy: -0.135 local terms energy: -53.563749 where: bonds (distance) C4'-P energy: -10.444 bonds (distance) P-C4' energy: -14.305 flat angles C4'-P-C4' energy: -12.011 flat angles P-C4'-P energy: -8.920 tors. eta vs tors. theta energy: -7.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -160.840343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.840343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.840343 (E_RNA) where: Base-Base interactions energy: -110.646 where: short stacking energy: -50.926 Base-Backbone interact. energy: -0.035 local terms energy: -50.160053 where: bonds (distance) C4'-P energy: -12.194 bonds (distance) P-C4' energy: -12.822 flat angles C4'-P-C4' energy: -12.149 flat angles P-C4'-P energy: -1.440 tors. eta vs tors. theta energy: -11.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -116.938858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.938858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.938858 (E_RNA) where: Base-Base interactions energy: -70.109 where: short stacking energy: -42.000 Base-Backbone interact. energy: -0.418 local terms energy: -46.412347 where: bonds (distance) C4'-P energy: -11.251 bonds (distance) P-C4' energy: -8.380 flat angles C4'-P-C4' energy: -14.089 flat angles P-C4'-P energy: -4.961 tors. eta vs tors. theta energy: -7.732 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: 2 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -90.173854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.173854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.173854 (E_RNA) where: Base-Base interactions energy: -48.356 where: short stacking energy: -28.562 Base-Backbone interact. energy: -0.156 local terms energy: -41.661620 where: bonds (distance) C4'-P energy: -13.922 bonds (distance) P-C4' energy: -11.390 flat angles C4'-P-C4' energy: -8.707 flat angles P-C4'-P energy: -6.020 tors. eta vs tors. theta energy: -1.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -228.196682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.196682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.196682 (E_RNA) where: Base-Base interactions energy: -162.133 where: short stacking energy: -64.717 Base-Backbone interact. energy: -0.017 local terms energy: -66.046581 where: bonds (distance) C4'-P energy: -13.267 bonds (distance) P-C4' energy: -14.324 flat angles C4'-P-C4' energy: -14.485 flat angles P-C4'-P energy: -9.126 tors. eta vs tors. theta energy: -14.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -209.308646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.308646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.308646 (E_RNA) where: Base-Base interactions energy: -142.472 where: short stacking energy: -69.016 Base-Backbone interact. energy: -0.151 local terms energy: -66.685785 where: bonds (distance) C4'-P energy: -12.324 bonds (distance) P-C4' energy: -14.350 flat angles C4'-P-C4' energy: -16.904 flat angles P-C4'-P energy: -4.815 tors. eta vs tors. theta energy: -18.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -194.247669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.247669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.247669 (E_RNA) where: Base-Base interactions energy: -130.941 where: short stacking energy: -62.806 Base-Backbone interact. energy: -0.023 local terms energy: -63.283522 where: bonds (distance) C4'-P energy: -10.827 bonds (distance) P-C4' energy: -15.430 flat angles C4'-P-C4' energy: -11.849 flat angles P-C4'-P energy: -7.307 tors. eta vs tors. theta energy: -17.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -187.561354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.561354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.561354 (E_RNA) where: Base-Base interactions energy: -122.900 where: short stacking energy: -62.731 Base-Backbone interact. energy: -0.086 local terms energy: -64.575029 where: bonds (distance) C4'-P energy: -14.871 bonds (distance) P-C4' energy: -14.525 flat angles C4'-P-C4' energy: -10.256 flat angles P-C4'-P energy: -7.919 tors. eta vs tors. theta energy: -17.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -184.683169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.683169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.683169 (E_RNA) where: Base-Base interactions energy: -136.186 where: short stacking energy: -51.661 Base-Backbone interact. energy: -0.067 local terms energy: -48.429657 where: bonds (distance) C4'-P energy: -8.482 bonds (distance) P-C4' energy: -7.540 flat angles C4'-P-C4' energy: -12.887 flat angles P-C4'-P energy: -8.231 tors. eta vs tors. theta energy: -11.289 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: 145 Temperature: 1.150000 Total energy: -128.789479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.789479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.789479 (E_RNA) where: Base-Base interactions energy: -71.150 where: short stacking energy: -38.195 Base-Backbone interact. energy: -0.469 local terms energy: -57.170400 where: bonds (distance) C4'-P energy: -12.803 bonds (distance) P-C4' energy: -17.280 flat angles C4'-P-C4' energy: -14.824 flat angles P-C4'-P energy: -7.092 tors. eta vs tors. theta energy: -5.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -169.762579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.762579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.762579 (E_RNA) where: Base-Base interactions energy: -117.298 where: short stacking energy: -52.891 Base-Backbone interact. energy: -0.416 local terms energy: -52.048058 where: bonds (distance) C4'-P energy: -7.175 bonds (distance) P-C4' energy: -11.838 flat angles C4'-P-C4' energy: -12.687 flat angles P-C4'-P energy: -8.933 tors. eta vs tors. theta energy: -11.415 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: 7 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -154.184040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.184040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.184040 (E_RNA) where: Base-Base interactions energy: -101.123 where: short stacking energy: -48.783 Base-Backbone interact. energy: -0.115 local terms energy: -52.946117 where: bonds (distance) C4'-P energy: -8.754 bonds (distance) P-C4' energy: -11.071 flat angles C4'-P-C4' energy: -16.499 flat angles P-C4'-P energy: -7.191 tors. eta vs tors. theta energy: -9.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -109.019523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.019523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.019523 (E_RNA) where: Base-Base interactions energy: -66.044 where: short stacking energy: -33.326 Base-Backbone interact. energy: -0.103 local terms energy: -42.872158 where: bonds (distance) C4'-P energy: -12.307 bonds (distance) P-C4' energy: -11.299 flat angles C4'-P-C4' energy: -9.631 flat angles P-C4'-P energy: -8.880 tors. eta vs tors. theta energy: -0.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -80.058416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.058416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.058416 (E_RNA) where: Base-Base interactions energy: -32.667 where: short stacking energy: -29.247 Base-Backbone interact. energy: -0.097 local terms energy: -47.294884 where: bonds (distance) C4'-P energy: -9.756 bonds (distance) P-C4' energy: -14.523 flat angles C4'-P-C4' energy: -12.791 flat angles P-C4'-P energy: -9.237 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: 1, replica: 5 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -226.618884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.618884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.618884 (E_RNA) where: Base-Base interactions energy: -158.459 where: short stacking energy: -64.052 Base-Backbone interact. energy: -0.067 local terms energy: -68.093159 where: bonds (distance) C4'-P energy: -15.226 bonds (distance) P-C4' energy: -16.199 flat angles C4'-P-C4' energy: -11.670 flat angles P-C4'-P energy: -11.751 tors. eta vs tors. theta energy: -13.247 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: 1 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -213.995182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.995182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.995182 (E_RNA) where: Base-Base interactions energy: -144.278 where: short stacking energy: -65.583 Base-Backbone interact. energy: -0.170 local terms energy: -69.547104 where: bonds (distance) C4'-P energy: -15.076 bonds (distance) P-C4' energy: -14.762 flat angles C4'-P-C4' energy: -14.630 flat angles P-C4'-P energy: -8.699 tors. eta vs tors. theta energy: -16.379 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: 146 Temperature: 1.000000 Total energy: -200.246572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.246572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.246572 (E_RNA) where: Base-Base interactions energy: -129.648 where: short stacking energy: -62.266 Base-Backbone interact. energy: -0.069 local terms energy: -70.529658 where: bonds (distance) C4'-P energy: -14.742 bonds (distance) P-C4' energy: -12.934 flat angles C4'-P-C4' energy: -13.133 flat angles P-C4'-P energy: -8.081 tors. eta vs tors. theta energy: -21.639 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: 4 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -186.410474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.410474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.410474 (E_RNA) where: Base-Base interactions energy: -119.027 where: short stacking energy: -60.782 Base-Backbone interact. energy: -0.625 local terms energy: -66.758671 where: bonds (distance) C4'-P energy: -11.778 bonds (distance) P-C4' energy: -13.163 flat angles C4'-P-C4' energy: -13.959 flat angles P-C4'-P energy: -9.776 tors. eta vs tors. theta energy: -18.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -188.772720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.772720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.772720 (E_RNA) where: Base-Base interactions energy: -127.653 where: short stacking energy: -50.642 Base-Backbone interact. energy: -0.119 local terms energy: -61.000865 where: bonds (distance) C4'-P energy: -15.060 bonds (distance) P-C4' energy: -14.554 flat angles C4'-P-C4' energy: -13.330 flat angles P-C4'-P energy: -8.699 tors. eta vs tors. theta energy: -9.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -90.947611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.947611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.947611 (E_RNA) where: Base-Base interactions energy: -37.810 where: short stacking energy: -31.997 Base-Backbone interact. energy: -0.203 local terms energy: -52.935239 where: bonds (distance) C4'-P energy: -12.230 bonds (distance) P-C4' energy: -14.078 flat angles C4'-P-C4' energy: -13.453 flat angles P-C4'-P energy: -7.950 tors. eta vs tors. theta energy: -5.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -122.988485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.988485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.988485 (E_RNA) where: Base-Base interactions energy: -68.590 where: short stacking energy: -31.421 Base-Backbone interact. energy: -0.126 local terms energy: -54.272545 where: bonds (distance) C4'-P energy: -15.446 bonds (distance) P-C4' energy: -15.716 flat angles C4'-P-C4' energy: -12.026 flat angles P-C4'-P energy: -5.886 tors. eta vs tors. theta energy: -5.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -152.065328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.065328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.065328 (E_RNA) where: Base-Base interactions energy: -97.243 where: short stacking energy: -44.822 Base-Backbone interact. energy: -0.194 local terms energy: -54.629102 where: bonds (distance) C4'-P energy: -13.099 bonds (distance) P-C4' energy: -11.609 flat angles C4'-P-C4' energy: -12.832 flat angles P-C4'-P energy: -2.494 tors. eta vs tors. theta energy: -14.595 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: 2 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -75.831502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.831502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.831502 (E_RNA) where: Base-Base interactions energy: -33.286 where: short stacking energy: -25.707 Base-Backbone interact. energy: -0.388 local terms energy: -42.156749 where: bonds (distance) C4'-P energy: -6.978 bonds (distance) P-C4' energy: -13.804 flat angles C4'-P-C4' energy: -8.475 flat angles P-C4'-P energy: -8.440 tors. eta vs tors. theta energy: -4.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -72.533580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.533580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.533580 (E_RNA) where: Base-Base interactions energy: -27.538 where: short stacking energy: -21.346 Base-Backbone interact. energy: -1.093 local terms energy: -43.903009 where: bonds (distance) C4'-P energy: -10.800 bonds (distance) P-C4' energy: -15.910 flat angles C4'-P-C4' energy: -10.946 flat angles P-C4'-P energy: -4.380 tors. eta vs tors. theta energy: -1.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -225.926748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.926748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.926748 (E_RNA) where: Base-Base interactions energy: -155.295 where: short stacking energy: -66.938 Base-Backbone interact. energy: -0.551 local terms energy: -70.080309 where: bonds (distance) C4'-P energy: -14.849 bonds (distance) P-C4' energy: -14.786 flat angles C4'-P-C4' energy: -14.536 flat angles P-C4'-P energy: -11.018 tors. eta vs tors. theta energy: -14.891 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: 1 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -220.062426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.062426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.062426 (E_RNA) where: Base-Base interactions energy: -153.005 where: short stacking energy: -61.364 Base-Backbone interact. energy: 0.295 local terms energy: -67.352396 where: bonds (distance) C4'-P energy: -13.808 bonds (distance) P-C4' energy: -17.038 flat angles C4'-P-C4' energy: -14.962 flat angles P-C4'-P energy: -6.042 tors. eta vs tors. theta energy: -15.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -188.948802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.948802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.948802 (E_RNA) where: Base-Base interactions energy: -122.050 where: short stacking energy: -59.186 Base-Backbone interact. energy: -0.124 local terms energy: -66.774548 where: bonds (distance) C4'-P energy: -12.159 bonds (distance) P-C4' energy: -14.536 flat angles C4'-P-C4' energy: -15.810 flat angles P-C4'-P energy: -8.649 tors. eta vs tors. theta energy: -15.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -198.238780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.238780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.238780 (E_RNA) where: Base-Base interactions energy: -129.334 where: short stacking energy: -54.806 Base-Backbone interact. energy: -0.846 local terms energy: -68.059011 where: bonds (distance) C4'-P energy: -12.511 bonds (distance) P-C4' energy: -13.975 flat angles C4'-P-C4' energy: -14.171 flat angles P-C4'-P energy: -8.598 tors. eta vs tors. theta energy: -18.804 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: 5, replica: 4 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -182.475400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.475400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.475400 (E_RNA) where: Base-Base interactions energy: -118.900 where: short stacking energy: -58.851 Base-Backbone interact. energy: -0.004 local terms energy: -63.571466 where: bonds (distance) C4'-P energy: -14.237 bonds (distance) P-C4' energy: -10.250 flat angles C4'-P-C4' energy: -15.714 flat angles P-C4'-P energy: -8.537 tors. eta vs tors. theta energy: -14.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -150.008133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.008133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.008133 (E_RNA) where: Base-Base interactions energy: -92.486 where: short stacking energy: -48.604 Base-Backbone interact. energy: 0.042 local terms energy: -57.564222 where: bonds (distance) C4'-P energy: -14.597 bonds (distance) P-C4' energy: -14.278 flat angles C4'-P-C4' energy: -13.085 flat angles P-C4'-P energy: -6.329 tors. eta vs tors. theta energy: -9.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -91.395470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.395470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.395470 (E_RNA) where: Base-Base interactions energy: -38.779 where: short stacking energy: -35.894 Base-Backbone interact. energy: -0.106 local terms energy: -52.510643 where: bonds (distance) C4'-P energy: -9.493 bonds (distance) P-C4' energy: -15.251 flat angles C4'-P-C4' energy: -14.407 flat angles P-C4'-P energy: -9.404 tors. eta vs tors. theta energy: -3.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -156.870253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.870253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.870253 (E_RNA) where: Base-Base interactions energy: -95.704 where: short stacking energy: -38.805 Base-Backbone interact. energy: 0.373 local terms energy: -61.539163 where: bonds (distance) C4'-P energy: -10.957 bonds (distance) P-C4' energy: -15.308 flat angles C4'-P-C4' energy: -16.946 flat angles P-C4'-P energy: -8.314 tors. eta vs tors. theta energy: -10.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -84.638543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.638543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.638543 (E_RNA) where: Base-Base interactions energy: -34.510 where: short stacking energy: -32.651 Base-Backbone interact. energy: -0.044 local terms energy: -50.085461 where: bonds (distance) C4'-P energy: -11.898 bonds (distance) P-C4' energy: -8.123 flat angles C4'-P-C4' energy: -14.390 flat angles P-C4'-P energy: -9.795 tors. eta vs tors. theta energy: -5.880 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: 6 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -72.430728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.430728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.430728 (E_RNA) where: Base-Base interactions energy: -26.412 where: short stacking energy: -21.269 Base-Backbone interact. energy: -0.400 local terms energy: -45.618842 where: bonds (distance) C4'-P energy: -9.098 bonds (distance) P-C4' energy: -9.365 flat angles C4'-P-C4' energy: -12.971 flat angles P-C4'-P energy: -9.792 tors. eta vs tors. theta energy: -4.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -225.613848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.613848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.613848 (E_RNA) where: Base-Base interactions energy: -163.235 where: short stacking energy: -66.861 Base-Backbone interact. energy: -0.797 local terms energy: -61.582376 where: bonds (distance) C4'-P energy: -11.300 bonds (distance) P-C4' energy: -14.185 flat angles C4'-P-C4' energy: -15.394 flat angles P-C4'-P energy: -7.761 tors. eta vs tors. theta energy: -12.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -215.146574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.146574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.146574 (E_RNA) where: Base-Base interactions energy: -151.996 where: short stacking energy: -60.249 Base-Backbone interact. energy: -0.041 local terms energy: -63.109883 where: bonds (distance) C4'-P energy: -12.878 bonds (distance) P-C4' energy: -16.476 flat angles C4'-P-C4' energy: -11.197 flat angles P-C4'-P energy: -10.778 tors. eta vs tors. theta energy: -11.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -200.742801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.742801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.742801 (E_RNA) where: Base-Base interactions energy: -131.488 where: short stacking energy: -57.541 Base-Backbone interact. energy: -0.443 local terms energy: -68.812474 where: bonds (distance) C4'-P energy: -15.325 bonds (distance) P-C4' energy: -15.476 flat angles C4'-P-C4' energy: -13.985 flat angles P-C4'-P energy: -7.374 tors. eta vs tors. theta energy: -16.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -193.608018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.608018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.608018 (E_RNA) where: Base-Base interactions energy: -126.592 where: short stacking energy: -58.119 Base-Backbone interact. energy: -0.130 local terms energy: -66.885867 where: bonds (distance) C4'-P energy: -13.152 bonds (distance) P-C4' energy: -12.570 flat angles C4'-P-C4' energy: -14.391 flat angles P-C4'-P energy: -7.152 tors. eta vs tors. theta energy: -19.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -159.502851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.502851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.502851 (E_RNA) where: Base-Base interactions energy: -95.825 where: short stacking energy: -57.652 Base-Backbone interact. energy: -0.138 local terms energy: -63.539748 where: bonds (distance) C4'-P energy: -16.881 bonds (distance) P-C4' energy: -13.221 flat angles C4'-P-C4' energy: -11.405 flat angles P-C4'-P energy: -8.064 tors. eta vs tors. theta energy: -13.969 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: 4 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -167.571204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.571204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.571204 (E_RNA) where: Base-Base interactions energy: -104.946 where: short stacking energy: -46.242 Base-Backbone interact. energy: -0.438 local terms energy: -62.187838 where: bonds (distance) C4'-P energy: -13.334 bonds (distance) P-C4' energy: -15.367 flat angles C4'-P-C4' energy: -12.495 flat angles P-C4'-P energy: -11.194 tors. eta vs tors. theta energy: -9.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -158.305457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.305457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.305457 (E_RNA) where: Base-Base interactions energy: -97.907 where: short stacking energy: -42.009 Base-Backbone interact. energy: -0.469 local terms energy: -59.929768 where: bonds (distance) C4'-P energy: -11.191 bonds (distance) P-C4' energy: -15.427 flat angles C4'-P-C4' energy: -15.388 flat angles P-C4'-P energy: -8.861 tors. eta vs tors. theta energy: -9.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -89.095803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.095803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.095803 (E_RNA) where: Base-Base interactions energy: -37.061 where: short stacking energy: -35.505 Base-Backbone interact. energy: 2.045 local terms energy: -54.079864 where: bonds (distance) C4'-P energy: -12.228 bonds (distance) P-C4' energy: -14.616 flat angles C4'-P-C4' energy: -9.844 flat angles P-C4'-P energy: -9.269 tors. eta vs tors. theta energy: -8.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -84.322146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.322146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.322146 (E_RNA) where: Base-Base interactions energy: -29.712 where: short stacking energy: -28.805 Base-Backbone interact. energy: -0.288 local terms energy: -54.321961 where: bonds (distance) C4'-P energy: -13.492 bonds (distance) P-C4' energy: -13.193 flat angles C4'-P-C4' energy: -15.290 flat angles P-C4'-P energy: -9.269 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: 10, replica: 2 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -72.790190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.790190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.790190 (E_RNA) where: Base-Base interactions energy: -28.604 where: short stacking energy: -27.474 Base-Backbone interact. energy: -0.094 local terms energy: -44.091215 where: bonds (distance) C4'-P energy: -10.374 bonds (distance) P-C4' energy: -10.358 flat angles C4'-P-C4' energy: -10.905 flat angles P-C4'-P energy: -8.529 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: 1, replica: 1 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -220.927862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.927862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.927862 (E_RNA) where: Base-Base interactions energy: -156.776 where: short stacking energy: -66.882 Base-Backbone interact. energy: -0.078 local terms energy: -64.073660 where: bonds (distance) C4'-P energy: -13.230 bonds (distance) P-C4' energy: -12.861 flat angles C4'-P-C4' energy: -13.947 flat angles P-C4'-P energy: -7.022 tors. eta vs tors. theta energy: -17.013 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: 9 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -199.989431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.989431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.989431 (E_RNA) where: Base-Base interactions energy: -136.079 where: short stacking energy: -61.214 Base-Backbone interact. energy: -0.042 local terms energy: -63.868218 where: bonds (distance) C4'-P energy: -16.137 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -16.596 flat angles P-C4'-P energy: -9.725 tors. eta vs tors. theta energy: -14.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -193.090751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.090751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.090751 (E_RNA) where: Base-Base interactions energy: -127.671 where: short stacking energy: -54.951 Base-Backbone interact. energy: -0.011 local terms energy: -65.408117 where: bonds (distance) C4'-P energy: -13.802 bonds (distance) P-C4' energy: -13.931 flat angles C4'-P-C4' energy: -12.393 flat angles P-C4'-P energy: -9.601 tors. eta vs tors. theta energy: -15.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -195.995518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.995518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.995518 (E_RNA) where: Base-Base interactions energy: -122.892 where: short stacking energy: -60.066 Base-Backbone interact. energy: -0.462 local terms energy: -72.641158 where: bonds (distance) C4'-P energy: -14.953 bonds (distance) P-C4' energy: -12.116 flat angles C4'-P-C4' energy: -15.400 flat angles P-C4'-P energy: -13.943 tors. eta vs tors. theta energy: -16.228 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: 7 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -170.448759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.448759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.448759 (E_RNA) where: Base-Base interactions energy: -108.076 where: short stacking energy: -54.940 Base-Backbone interact. energy: -0.100 local terms energy: -62.273219 where: bonds (distance) C4'-P energy: -13.437 bonds (distance) P-C4' energy: -9.903 flat angles C4'-P-C4' energy: -15.878 flat angles P-C4'-P energy: -8.500 tors. eta vs tors. theta energy: -14.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -169.207746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.207746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.207746 (E_RNA) where: Base-Base interactions energy: -105.988 where: short stacking energy: -49.961 Base-Backbone interact. energy: -0.006 local terms energy: -63.213536 where: bonds (distance) C4'-P energy: -14.910 bonds (distance) P-C4' energy: -14.152 flat angles C4'-P-C4' energy: -14.083 flat angles P-C4'-P energy: -6.789 tors. eta vs tors. theta energy: -13.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -173.748406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.748406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.748406 (E_RNA) where: Base-Base interactions energy: -111.592 where: short stacking energy: -49.700 Base-Backbone interact. energy: -0.512 local terms energy: -61.644803 where: bonds (distance) C4'-P energy: -8.453 bonds (distance) P-C4' energy: -13.555 flat angles C4'-P-C4' energy: -16.015 flat angles P-C4'-P energy: -13.499 tors. eta vs tors. theta energy: -10.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -103.474088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.474088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.474088 (E_RNA) where: Base-Base interactions energy: -56.318 where: short stacking energy: -38.126 Base-Backbone interact. energy: -1.226 local terms energy: -45.929903 where: bonds (distance) C4'-P energy: -10.490 bonds (distance) P-C4' energy: -14.578 flat angles C4'-P-C4' energy: -13.774 flat angles P-C4'-P energy: -2.830 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: 149 Temperature: 1.300000 Total energy: -98.861761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.861761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.861761 (E_RNA) where: Base-Base interactions energy: -46.015 where: short stacking energy: -35.117 Base-Backbone interact. energy: -0.115 local terms energy: -52.731202 where: bonds (distance) C4'-P energy: -14.668 bonds (distance) P-C4' energy: -14.088 flat angles C4'-P-C4' energy: -12.940 flat angles P-C4'-P energy: -7.050 tors. eta vs tors. theta energy: -3.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -79.828569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.828569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.828569 (E_RNA) where: Base-Base interactions energy: -25.490 where: short stacking energy: -25.490 Base-Backbone interact. energy: -0.070 local terms energy: -54.268345 where: bonds (distance) C4'-P energy: -14.712 bonds (distance) P-C4' energy: -13.468 flat angles C4'-P-C4' energy: -13.005 flat angles P-C4'-P energy: -9.630 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: 1, replica: 1 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -218.661062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.661062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.661062 (E_RNA) where: Base-Base interactions energy: -148.901 where: short stacking energy: -63.884 Base-Backbone interact. energy: 0.304 local terms energy: -70.064011 where: bonds (distance) C4'-P energy: -12.620 bonds (distance) P-C4' energy: -15.346 flat angles C4'-P-C4' energy: -14.963 flat angles P-C4'-P energy: -10.665 tors. eta vs tors. theta energy: -16.470 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: 9 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -191.257738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.257738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.257738 (E_RNA) where: Base-Base interactions energy: -125.136 where: short stacking energy: -54.293 Base-Backbone interact. energy: -0.013 local terms energy: -66.108916 where: bonds (distance) C4'-P energy: -9.186 bonds (distance) P-C4' energy: -14.843 flat angles C4'-P-C4' energy: -15.438 flat angles P-C4'-P energy: -14.078 tors. eta vs tors. theta energy: -12.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -186.895502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.895502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.895502 (E_RNA) where: Base-Base interactions energy: -121.941 where: short stacking energy: -66.012 Base-Backbone interact. energy: -0.098 local terms energy: -64.856724 where: bonds (distance) C4'-P energy: -10.954 bonds (distance) P-C4' energy: -14.076 flat angles C4'-P-C4' energy: -14.984 flat angles P-C4'-P energy: -8.827 tors. eta vs tors. theta energy: -16.015 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: 5 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -188.943877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.943877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.943877 (E_RNA) where: Base-Base interactions energy: -125.877 where: short stacking energy: -61.634 Base-Backbone interact. energy: -0.065 local terms energy: -63.001942 where: bonds (distance) C4'-P energy: -13.401 bonds (distance) P-C4' energy: -10.821 flat angles C4'-P-C4' energy: -15.047 flat angles P-C4'-P energy: -7.709 tors. eta vs tors. theta energy: -16.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -180.756879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.756879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.756879 (E_RNA) where: Base-Base interactions energy: -118.357 where: short stacking energy: -61.613 Base-Backbone interact. energy: -0.423 local terms energy: -61.976981 where: bonds (distance) C4'-P energy: -12.395 bonds (distance) P-C4' energy: -9.216 flat angles C4'-P-C4' energy: -16.636 flat angles P-C4'-P energy: -7.954 tors. eta vs tors. theta energy: -15.776 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: 7 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -171.264357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.264357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.264357 (E_RNA) where: Base-Base interactions energy: -113.984 where: short stacking energy: -52.806 Base-Backbone interact. energy: 1.196 local terms energy: -58.475938 where: bonds (distance) C4'-P energy: -13.132 bonds (distance) P-C4' energy: -11.213 flat angles C4'-P-C4' energy: -11.536 flat angles P-C4'-P energy: -7.350 tors. eta vs tors. theta energy: -15.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -159.289274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.289274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.289274 (E_RNA) where: Base-Base interactions energy: -113.169 where: short stacking energy: -50.055 Base-Backbone interact. energy: -0.265 local terms energy: -45.854902 where: bonds (distance) C4'-P energy: -13.996 bonds (distance) P-C4' energy: -7.168 flat angles C4'-P-C4' energy: -4.416 flat angles P-C4'-P energy: -9.680 tors. eta vs tors. theta energy: -10.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -141.015330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.015330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.015330 (E_RNA) where: Base-Base interactions energy: -81.587 where: short stacking energy: -45.848 Base-Backbone interact. energy: -0.061 local terms energy: -59.368059 where: bonds (distance) C4'-P energy: -14.009 bonds (distance) P-C4' energy: -11.939 flat angles C4'-P-C4' energy: -13.989 flat angles P-C4'-P energy: -6.910 tors. eta vs tors. theta energy: -12.522 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: 9, replica: 2 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -93.109210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.109210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.109210 (E_RNA) where: Base-Base interactions energy: -40.794 where: short stacking energy: -33.035 Base-Backbone interact. energy: -0.177 local terms energy: -52.138351 where: bonds (distance) C4'-P energy: -12.557 bonds (distance) P-C4' energy: -15.903 flat angles C4'-P-C4' energy: -8.589 flat angles P-C4'-P energy: -9.981 tors. eta vs tors. theta energy: -5.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -90.827010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.827010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.827010 (E_RNA) where: Base-Base interactions energy: -36.427 where: short stacking energy: -30.153 Base-Backbone interact. energy: -1.431 local terms energy: -52.969503 where: bonds (distance) C4'-P energy: -13.314 bonds (distance) P-C4' energy: -16.116 flat angles C4'-P-C4' energy: -14.460 flat angles P-C4'-P energy: -6.493 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: 1, replica: 1 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -221.408026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.408026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.408026 (E_RNA) where: Base-Base interactions energy: -150.441 where: short stacking energy: -63.824 Base-Backbone interact. energy: -0.007 local terms energy: -70.960051 where: bonds (distance) C4'-P energy: -16.091 bonds (distance) P-C4' energy: -14.018 flat angles C4'-P-C4' energy: -16.618 flat angles P-C4'-P energy: -9.700 tors. eta vs tors. theta energy: -14.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -202.292314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.292314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.292314 (E_RNA) where: Base-Base interactions energy: -139.298 where: short stacking energy: -59.981 Base-Backbone interact. energy: 0.892 local terms energy: -63.886673 where: bonds (distance) C4'-P energy: -13.281 bonds (distance) P-C4' energy: -12.583 flat angles C4'-P-C4' energy: -15.050 flat angles P-C4'-P energy: -11.626 tors. eta vs tors. theta energy: -11.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -187.606589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.606589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.606589 (E_RNA) where: Base-Base interactions energy: -129.484 where: short stacking energy: -58.009 Base-Backbone interact. energy: -0.007 local terms energy: -58.116172 where: bonds (distance) C4'-P energy: -15.458 bonds (distance) P-C4' energy: -9.454 flat angles C4'-P-C4' energy: -14.012 flat angles P-C4'-P energy: -5.485 tors. eta vs tors. theta energy: -13.707 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: 5 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -190.671505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.671505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.671505 (E_RNA) where: Base-Base interactions energy: -133.214 where: short stacking energy: -54.123 Base-Backbone interact. energy: -0.147 local terms energy: -57.310551 where: bonds (distance) C4'-P energy: -9.984 bonds (distance) P-C4' energy: -13.866 flat angles C4'-P-C4' energy: -13.815 flat angles P-C4'-P energy: -7.863 tors. eta vs tors. theta energy: -11.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -195.446488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.446488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.446488 (E_RNA) where: Base-Base interactions energy: -136.540 where: short stacking energy: -54.314 Base-Backbone interact. energy: -0.131 local terms energy: -58.776144 where: bonds (distance) C4'-P energy: -11.756 bonds (distance) P-C4' energy: -11.858 flat angles C4'-P-C4' energy: -14.265 flat angles P-C4'-P energy: -6.635 tors. eta vs tors. theta energy: -14.262 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: 6, replica: 4 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -171.337900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.337900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.337900 (E_RNA) where: Base-Base interactions energy: -108.530 where: short stacking energy: -41.853 Base-Backbone interact. energy: -0.068 local terms energy: -62.739226 where: bonds (distance) C4'-P energy: -15.292 bonds (distance) P-C4' energy: -15.910 flat angles C4'-P-C4' energy: -13.349 flat angles P-C4'-P energy: -11.315 tors. eta vs tors. theta energy: -6.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -173.831080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.831080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.831080 (E_RNA) where: Base-Base interactions energy: -111.017 where: short stacking energy: -53.914 Base-Backbone interact. energy: -0.207 local terms energy: -62.606807 where: bonds (distance) C4'-P energy: -12.009 bonds (distance) P-C4' energy: -13.651 flat angles C4'-P-C4' energy: -14.485 flat angles P-C4'-P energy: -8.365 tors. eta vs tors. theta energy: -14.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -139.883112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.883112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.883112 (E_RNA) where: Base-Base interactions energy: -81.265 where: short stacking energy: -41.753 Base-Backbone interact. energy: -0.033 local terms energy: -58.585850 where: bonds (distance) C4'-P energy: -10.200 bonds (distance) P-C4' energy: -16.284 flat angles C4'-P-C4' energy: -13.284 flat angles P-C4'-P energy: -9.504 tors. eta vs tors. theta energy: -9.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -85.467868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.467868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.467868 (E_RNA) where: Base-Base interactions energy: -48.723 where: short stacking energy: -21.731 Base-Backbone interact. energy: 1.302 local terms energy: -38.047344 where: bonds (distance) C4'-P energy: -8.606 bonds (distance) P-C4' energy: -12.180 flat angles C4'-P-C4' energy: -14.048 flat angles P-C4'-P energy: -5.359 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: 10, replica: 3 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -76.050439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.050439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.050439 (E_RNA) where: Base-Base interactions energy: -25.876 where: short stacking energy: -23.950 Base-Backbone interact. energy: 0.649 local terms energy: -50.822961 where: bonds (distance) C4'-P energy: -15.991 bonds (distance) P-C4' energy: -11.013 flat angles C4'-P-C4' energy: -11.947 flat angles P-C4'-P energy: -8.497 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: 1, replica: 1 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -218.348144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.348144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.348144 (E_RNA) where: Base-Base interactions energy: -153.686 where: short stacking energy: -69.234 Base-Backbone interact. energy: -0.744 local terms energy: -63.917661 where: bonds (distance) C4'-P energy: -12.223 bonds (distance) P-C4' energy: -14.082 flat angles C4'-P-C4' energy: -14.921 flat angles P-C4'-P energy: -5.833 tors. eta vs tors. theta energy: -16.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -209.312878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.312878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.312878 (E_RNA) where: Base-Base interactions energy: -140.409 where: short stacking energy: -60.271 Base-Backbone interact. energy: -0.221 local terms energy: -68.683430 where: bonds (distance) C4'-P energy: -13.016 bonds (distance) P-C4' energy: -16.840 flat angles C4'-P-C4' energy: -16.193 flat angles P-C4'-P energy: -9.496 tors. eta vs tors. theta energy: -13.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -185.490233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.490233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.490233 (E_RNA) where: Base-Base interactions energy: -124.094 where: short stacking energy: -47.054 Base-Backbone interact. energy: -0.201 local terms energy: -61.194575 where: bonds (distance) C4'-P energy: -14.596 bonds (distance) P-C4' energy: -13.934 flat angles C4'-P-C4' energy: -14.297 flat angles P-C4'-P energy: -6.375 tors. eta vs tors. theta energy: -11.992 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: 4, replica: 5 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -173.901567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.901567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.901567 (E_RNA) where: Base-Base interactions energy: -113.784 where: short stacking energy: -52.406 Base-Backbone interact. energy: -0.411 local terms energy: -59.706858 where: bonds (distance) C4'-P energy: -12.424 bonds (distance) P-C4' energy: -12.476 flat angles C4'-P-C4' energy: -13.473 flat angles P-C4'-P energy: -10.857 tors. eta vs tors. theta energy: -10.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -202.328538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.328538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.328538 (E_RNA) where: Base-Base interactions energy: -137.311 where: short stacking energy: -57.849 Base-Backbone interact. energy: -0.250 local terms energy: -64.767181 where: bonds (distance) C4'-P energy: -13.401 bonds (distance) P-C4' energy: -15.794 flat angles C4'-P-C4' energy: -13.805 flat angles P-C4'-P energy: -8.861 tors. eta vs tors. theta energy: -12.906 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: 6, replica: 4 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -191.302047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.302047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.302047 (E_RNA) where: Base-Base interactions energy: -126.854 where: short stacking energy: -56.433 Base-Backbone interact. energy: -0.249 local terms energy: -64.198683 where: bonds (distance) C4'-P energy: -12.423 bonds (distance) P-C4' energy: -16.407 flat angles C4'-P-C4' energy: -14.861 flat angles P-C4'-P energy: -7.570 tors. eta vs tors. theta energy: -12.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -182.014719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.014719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.014719 (E_RNA) where: Base-Base interactions energy: -119.745 where: short stacking energy: -57.544 Base-Backbone interact. energy: -0.002 local terms energy: -62.268385 where: bonds (distance) C4'-P energy: -11.157 bonds (distance) P-C4' energy: -13.170 flat angles C4'-P-C4' energy: -12.190 flat angles P-C4'-P energy: -8.897 tors. eta vs tors. theta energy: -16.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -105.931013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.931013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.931013 (E_RNA) where: Base-Base interactions energy: -54.865 where: short stacking energy: -23.316 Base-Backbone interact. energy: -0.082 local terms energy: -50.984089 where: bonds (distance) C4'-P energy: -10.717 bonds (distance) P-C4' energy: -15.163 flat angles C4'-P-C4' energy: -9.204 flat angles P-C4'-P energy: -10.498 tors. eta vs tors. theta energy: -5.401 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: 3 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -86.229324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.229324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.229324 (E_RNA) where: Base-Base interactions energy: -36.092 where: short stacking energy: -32.623 Base-Backbone interact. energy: -0.432 local terms energy: -49.705746 where: bonds (distance) C4'-P energy: -7.874 bonds (distance) P-C4' energy: -13.475 flat angles C4'-P-C4' energy: -9.917 flat angles P-C4'-P energy: -10.727 tors. eta vs tors. theta energy: -7.713 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: 10, replica: 2 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -85.724338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.724338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.724338 (E_RNA) where: Base-Base interactions energy: -40.640 where: short stacking energy: -22.099 Base-Backbone interact. energy: -0.036 local terms energy: -45.048403 where: bonds (distance) C4'-P energy: -13.167 bonds (distance) P-C4' energy: -14.499 flat angles C4'-P-C4' energy: -13.627 flat angles P-C4'-P energy: -4.682 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: 1, replica: 1 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -224.616165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.616165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.616165 (E_RNA) where: Base-Base interactions energy: -153.772 where: short stacking energy: -65.781 Base-Backbone interact. energy: -0.117 local terms energy: -70.727701 where: bonds (distance) C4'-P energy: -14.518 bonds (distance) P-C4' energy: -14.553 flat angles C4'-P-C4' energy: -15.231 flat angles P-C4'-P energy: -9.956 tors. eta vs tors. theta energy: -16.470 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: 9 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -193.192274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.192274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.192274 (E_RNA) where: Base-Base interactions energy: -131.586 where: short stacking energy: -64.029 Base-Backbone interact. energy: -0.024 local terms energy: -61.581515 where: bonds (distance) C4'-P energy: -9.567 bonds (distance) P-C4' energy: -15.170 flat angles C4'-P-C4' energy: -11.735 flat angles P-C4'-P energy: -10.943 tors. eta vs tors. theta energy: -14.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -203.818785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.818785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.818785 (E_RNA) where: Base-Base interactions energy: -139.937 where: short stacking energy: -60.834 Base-Backbone interact. energy: -0.161 local terms energy: -63.720981 where: bonds (distance) C4'-P energy: -13.370 bonds (distance) P-C4' energy: -14.120 flat angles C4'-P-C4' energy: -13.673 flat angles P-C4'-P energy: -9.249 tors. eta vs tors. theta energy: -13.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -206.858452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.858452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.858452 (E_RNA) where: Base-Base interactions energy: -138.523 where: short stacking energy: -58.153 Base-Backbone interact. energy: -0.640 local terms energy: -67.695424 where: bonds (distance) C4'-P energy: -11.889 bonds (distance) P-C4' energy: -15.625 flat angles C4'-P-C4' energy: -16.595 flat angles P-C4'-P energy: -9.584 tors. eta vs tors. theta energy: -14.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -171.665010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.665010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.665010 (E_RNA) where: Base-Base interactions energy: -110.241 where: short stacking energy: -48.187 Base-Backbone interact. energy: -0.014 local terms energy: -61.410299 where: bonds (distance) C4'-P energy: -13.301 bonds (distance) P-C4' energy: -14.634 flat angles C4'-P-C4' energy: -13.715 flat angles P-C4'-P energy: -6.095 tors. eta vs tors. theta energy: -13.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -198.308634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.308634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.308634 (E_RNA) where: Base-Base interactions energy: -134.446 where: short stacking energy: -65.761 Base-Backbone interact. energy: -0.013 local terms energy: -63.849175 where: bonds (distance) C4'-P energy: -15.462 bonds (distance) P-C4' energy: -13.529 flat angles C4'-P-C4' energy: -8.081 flat angles P-C4'-P energy: -11.575 tors. eta vs tors. theta energy: -15.202 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: 4 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -181.069650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.069650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.069650 (E_RNA) where: Base-Base interactions energy: -128.045 where: short stacking energy: -51.596 Base-Backbone interact. energy: -0.365 local terms energy: -52.659213 where: bonds (distance) C4'-P energy: -5.671 bonds (distance) P-C4' energy: -12.057 flat angles C4'-P-C4' energy: -14.081 flat angles P-C4'-P energy: -8.158 tors. eta vs tors. theta energy: -12.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -101.507476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.507476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.507476 (E_RNA) where: Base-Base interactions energy: -49.978 where: short stacking energy: -28.580 Base-Backbone interact. energy: 0.014 local terms energy: -51.543344 where: bonds (distance) C4'-P energy: -10.494 bonds (distance) P-C4' energy: -14.176 flat angles C4'-P-C4' energy: -17.751 flat angles P-C4'-P energy: -5.619 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: 9, replica: 6 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -90.113256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.113256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.113256 (E_RNA) where: Base-Base interactions energy: -31.545 where: short stacking energy: -31.545 Base-Backbone interact. energy: -0.002 local terms energy: -58.566440 where: bonds (distance) C4'-P energy: -12.949 bonds (distance) P-C4' energy: -12.438 flat angles C4'-P-C4' energy: -14.707 flat angles P-C4'-P energy: -9.908 tors. eta vs tors. theta energy: -8.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -71.607922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.607922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.607922 (E_RNA) where: Base-Base interactions energy: -23.311 where: short stacking energy: -23.311 Base-Backbone interact. energy: -0.135 local terms energy: -48.162215 where: bonds (distance) C4'-P energy: -11.463 bonds (distance) P-C4' energy: -14.977 flat angles C4'-P-C4' energy: -13.967 flat angles P-C4'-P energy: -4.526 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: 1, replica: 1 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -222.467744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.467744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.467744 (E_RNA) where: Base-Base interactions energy: -155.906 where: short stacking energy: -67.628 Base-Backbone interact. energy: 0.871 local terms energy: -67.433403 where: bonds (distance) C4'-P energy: -16.125 bonds (distance) P-C4' energy: -12.378 flat angles C4'-P-C4' energy: -15.544 flat angles P-C4'-P energy: -9.973 tors. eta vs tors. theta energy: -13.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -208.708186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.708186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.708186 (E_RNA) where: Base-Base interactions energy: -135.145 where: short stacking energy: -65.666 Base-Backbone interact. energy: -0.604 local terms energy: -72.958378 where: bonds (distance) C4'-P energy: -13.876 bonds (distance) P-C4' energy: -16.004 flat angles C4'-P-C4' energy: -16.359 flat angles P-C4'-P energy: -8.020 tors. eta vs tors. theta energy: -18.700 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: 3, replica: 10 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -212.672697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.672697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.672697 (E_RNA) where: Base-Base interactions energy: -144.978 where: short stacking energy: -65.493 Base-Backbone interact. energy: 0.040 local terms energy: -67.735432 where: bonds (distance) C4'-P energy: -12.343 bonds (distance) P-C4' energy: -10.941 flat angles C4'-P-C4' energy: -16.678 flat angles P-C4'-P energy: -10.567 tors. eta vs tors. theta energy: -17.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -204.621174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.621174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.621174 (E_RNA) where: Base-Base interactions energy: -144.324 where: short stacking energy: -58.297 Base-Backbone interact. energy: -0.233 local terms energy: -60.063560 where: bonds (distance) C4'-P energy: -14.668 bonds (distance) P-C4' energy: -12.391 flat angles C4'-P-C4' energy: -12.377 flat angles P-C4'-P energy: -4.482 tors. eta vs tors. theta energy: -16.146 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: 7 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -190.510726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.510726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.510726 (E_RNA) where: Base-Base interactions energy: -124.380 where: short stacking energy: -53.037 Base-Backbone interact. energy: -0.137 local terms energy: -65.992827 where: bonds (distance) C4'-P energy: -13.421 bonds (distance) P-C4' energy: -11.914 flat angles C4'-P-C4' energy: -17.164 flat angles P-C4'-P energy: -9.513 tors. eta vs tors. theta energy: -13.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -179.140644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.140644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.140644 (E_RNA) where: Base-Base interactions energy: -119.188 where: short stacking energy: -49.099 Base-Backbone interact. energy: 0.036 local terms energy: -59.988393 where: bonds (distance) C4'-P energy: -12.441 bonds (distance) P-C4' energy: -11.427 flat angles C4'-P-C4' energy: -15.553 flat angles P-C4'-P energy: -8.959 tors. eta vs tors. theta energy: -11.609 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: 4 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -157.619533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.619533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.619533 (E_RNA) where: Base-Base interactions energy: -102.761 where: short stacking energy: -45.130 Base-Backbone interact. energy: 0.450 local terms energy: -55.308196 where: bonds (distance) C4'-P energy: -10.237 bonds (distance) P-C4' energy: -11.594 flat angles C4'-P-C4' energy: -12.707 flat angles P-C4'-P energy: -12.238 tors. eta vs tors. theta energy: -8.532 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: 3 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -113.536826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.536826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.536826 (E_RNA) where: Base-Base interactions energy: -69.895 where: short stacking energy: -35.712 Base-Backbone interact. energy: -0.447 local terms energy: -43.195165 where: bonds (distance) C4'-P energy: -9.251 bonds (distance) P-C4' energy: -6.372 flat angles C4'-P-C4' energy: -11.792 flat angles P-C4'-P energy: -11.259 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: 9, replica: 2 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -93.654984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.654984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.654984 (E_RNA) where: Base-Base interactions energy: -41.048 where: short stacking energy: -37.115 Base-Backbone interact. energy: -0.098 local terms energy: -52.508892 where: bonds (distance) C4'-P energy: -11.636 bonds (distance) P-C4' energy: -12.391 flat angles C4'-P-C4' energy: -13.701 flat angles P-C4'-P energy: -5.326 tors. eta vs tors. theta energy: -9.455 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: 10, replica: 6 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -84.720002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.720002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.720002 (E_RNA) where: Base-Base interactions energy: -41.595 where: short stacking energy: -21.213 Base-Backbone interact. energy: -0.115 local terms energy: -43.010108 where: bonds (distance) C4'-P energy: -7.670 bonds (distance) P-C4' energy: -12.647 flat angles C4'-P-C4' energy: -13.411 flat angles P-C4'-P energy: -7.093 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: 1, replica: 1 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -224.046715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.046715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.046715 (E_RNA) where: Base-Base interactions energy: -157.562 where: short stacking energy: -67.691 Base-Backbone interact. energy: -0.003 local terms energy: -66.481875 where: bonds (distance) C4'-P energy: -12.943 bonds (distance) P-C4' energy: -14.012 flat angles C4'-P-C4' energy: -15.746 flat angles P-C4'-P energy: -7.983 tors. eta vs tors. theta energy: -15.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -209.186676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.186676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.186676 (E_RNA) where: Base-Base interactions energy: -141.507 where: short stacking energy: -59.702 Base-Backbone interact. energy: -0.428 local terms energy: -67.251391 where: bonds (distance) C4'-P energy: -13.950 bonds (distance) P-C4' energy: -17.309 flat angles C4'-P-C4' energy: -15.262 flat angles P-C4'-P energy: -4.999 tors. eta vs tors. theta energy: -15.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -209.823253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.823253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.823253 (E_RNA) where: Base-Base interactions energy: -148.959 where: short stacking energy: -62.724 Base-Backbone interact. energy: -0.110 local terms energy: -60.754144 where: bonds (distance) C4'-P energy: -8.793 bonds (distance) P-C4' energy: -13.499 flat angles C4'-P-C4' energy: -15.873 flat angles P-C4'-P energy: -8.467 tors. eta vs tors. theta energy: -14.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -212.553334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.553334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.553334 (E_RNA) where: Base-Base interactions energy: -144.320 where: short stacking energy: -71.037 Base-Backbone interact. energy: -0.282 local terms energy: -67.952000 where: bonds (distance) C4'-P energy: -14.812 bonds (distance) P-C4' energy: -14.888 flat angles C4'-P-C4' energy: -14.775 flat angles P-C4'-P energy: -2.973 tors. eta vs tors. theta energy: -20.505 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: 8 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -199.992999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.992999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.992999 (E_RNA) where: Base-Base interactions energy: -139.271 where: short stacking energy: -56.990 Base-Backbone interact. energy: -0.178 local terms energy: -60.543580 where: bonds (distance) C4'-P energy: -16.265 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -12.694 flat angles P-C4'-P energy: -9.277 tors. eta vs tors. theta energy: -13.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -176.374773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.374773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.374773 (E_RNA) where: Base-Base interactions energy: -119.918 where: short stacking energy: -49.480 Base-Backbone interact. energy: -0.281 local terms energy: -56.174910 where: bonds (distance) C4'-P energy: -12.340 bonds (distance) P-C4' energy: -18.004 flat angles C4'-P-C4' energy: -9.968 flat angles P-C4'-P energy: -7.026 tors. eta vs tors. theta energy: -8.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -162.712472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.712472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.712472 (E_RNA) where: Base-Base interactions energy: -111.284 where: short stacking energy: -43.650 Base-Backbone interact. energy: 0.374 local terms energy: -51.803033 where: bonds (distance) C4'-P energy: -12.306 bonds (distance) P-C4' energy: -13.086 flat angles C4'-P-C4' energy: -12.318 flat angles P-C4'-P energy: -6.374 tors. eta vs tors. theta energy: -7.719 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: 2 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -81.607174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.607174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.607174 (E_RNA) where: Base-Base interactions energy: -35.072 where: short stacking energy: -24.837 Base-Backbone interact. energy: -0.281 local terms energy: -46.254474 where: bonds (distance) C4'-P energy: -16.390 bonds (distance) P-C4' energy: -14.901 flat angles C4'-P-C4' energy: -8.074 flat angles P-C4'-P energy: -6.499 tors. eta vs tors. theta energy: -0.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -84.962774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.962774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.962774 (E_RNA) where: Base-Base interactions energy: -39.243 where: short stacking energy: -21.988 Base-Backbone interact. energy: -0.466 local terms energy: -45.253648 where: bonds (distance) C4'-P energy: -11.981 bonds (distance) P-C4' energy: -10.926 flat angles C4'-P-C4' energy: -11.983 flat angles P-C4'-P energy: -5.984 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: 10, replica: 6 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -77.146109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.146109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.146109 (E_RNA) where: Base-Base interactions energy: -23.998 where: short stacking energy: -17.673 Base-Backbone interact. energy: -0.062 local terms energy: -53.086193 where: bonds (distance) C4'-P energy: -14.112 bonds (distance) P-C4' energy: -13.713 flat angles C4'-P-C4' energy: -13.541 flat angles P-C4'-P energy: -8.515 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: 1, replica: 9 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -209.410438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.410438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.410438 (E_RNA) where: Base-Base interactions energy: -139.607 where: short stacking energy: -61.052 Base-Backbone interact. energy: -0.005 local terms energy: -69.798762 where: bonds (distance) C4'-P energy: -17.370 bonds (distance) P-C4' energy: -16.593 flat angles C4'-P-C4' energy: -13.738 flat angles P-C4'-P energy: -5.340 tors. eta vs tors. theta energy: -16.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -222.409100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.409100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.409100 (E_RNA) where: Base-Base interactions energy: -147.929 where: short stacking energy: -64.385 Base-Backbone interact. energy: 1.161 local terms energy: -75.641644 where: bonds (distance) C4'-P energy: -16.621 bonds (distance) P-C4' energy: -13.790 flat angles C4'-P-C4' energy: -17.470 flat angles P-C4'-P energy: -10.760 tors. eta vs tors. theta energy: -17.000 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: 156 Temperature: 1.000000 Total energy: -219.849180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.849180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.849180 (E_RNA) where: Base-Base interactions energy: -147.946 where: short stacking energy: -62.948 Base-Backbone interact. energy: -0.575 local terms energy: -71.327378 where: bonds (distance) C4'-P energy: -13.397 bonds (distance) P-C4' energy: -16.146 flat angles C4'-P-C4' energy: -15.759 flat angles P-C4'-P energy: -8.530 tors. eta vs tors. theta energy: -17.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -202.619407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.619407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.619407 (E_RNA) where: Base-Base interactions energy: -138.460 where: short stacking energy: -60.755 Base-Backbone interact. energy: -0.473 local terms energy: -63.686104 where: bonds (distance) C4'-P energy: -12.489 bonds (distance) P-C4' energy: -12.429 flat angles C4'-P-C4' energy: -14.468 flat angles P-C4'-P energy: -8.249 tors. eta vs tors. theta energy: -16.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -172.149882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.149882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.149882 (E_RNA) where: Base-Base interactions energy: -112.712 where: short stacking energy: -50.255 Base-Backbone interact. energy: 0.841 local terms energy: -60.278875 where: bonds (distance) C4'-P energy: -16.385 bonds (distance) P-C4' energy: -14.818 flat angles C4'-P-C4' energy: -13.372 flat angles P-C4'-P energy: -7.044 tors. eta vs tors. theta energy: -8.661 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: 8 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -187.388851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.388851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.388851 (E_RNA) where: Base-Base interactions energy: -126.618 where: short stacking energy: -52.089 Base-Backbone interact. energy: 0.025 local terms energy: -60.795690 where: bonds (distance) C4'-P energy: -9.143 bonds (distance) P-C4' energy: -12.258 flat angles C4'-P-C4' energy: -16.140 flat angles P-C4'-P energy: -10.707 tors. eta vs tors. theta energy: -12.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -165.792757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.792757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.792757 (E_RNA) where: Base-Base interactions energy: -108.807 where: short stacking energy: -43.258 Base-Backbone interact. energy: -0.001 local terms energy: -56.983930 where: bonds (distance) C4'-P energy: -15.172 bonds (distance) P-C4' energy: -12.096 flat angles C4'-P-C4' energy: -12.186 flat angles P-C4'-P energy: -6.984 tors. eta vs tors. theta energy: -10.545 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: 8, replica: 2 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -90.019432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.019432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.019432 (E_RNA) where: Base-Base interactions energy: -46.952 where: short stacking energy: -23.637 Base-Backbone interact. energy: -0.289 local terms energy: -42.778673 where: bonds (distance) C4'-P energy: -15.097 bonds (distance) P-C4' energy: -13.066 flat angles C4'-P-C4' energy: -8.753 flat angles P-C4'-P energy: -10.670 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: 9, replica: 6 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -85.433008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.433008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.433008 (E_RNA) where: Base-Base interactions energy: -33.229 where: short stacking energy: -33.229 Base-Backbone interact. energy: -0.265 local terms energy: -51.938417 where: bonds (distance) C4'-P energy: -14.492 bonds (distance) P-C4' energy: -9.878 flat angles C4'-P-C4' energy: -12.679 flat angles P-C4'-P energy: -7.494 tors. eta vs tors. theta energy: -7.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -78.679993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.679993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.679993 (E_RNA) where: Base-Base interactions energy: -38.189 where: short stacking energy: -23.197 Base-Backbone interact. energy: -0.373 local terms energy: -40.117806 where: bonds (distance) C4'-P energy: -11.536 bonds (distance) P-C4' energy: -13.323 flat angles C4'-P-C4' energy: -6.676 flat angles P-C4'-P energy: -7.164 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: 1, replica: 9 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -213.728467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.728467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.728467 (E_RNA) where: Base-Base interactions energy: -142.775 where: short stacking energy: -65.617 Base-Backbone interact. energy: -0.004 local terms energy: -70.949552 where: bonds (distance) C4'-P energy: -12.294 bonds (distance) P-C4' energy: -15.992 flat angles C4'-P-C4' energy: -15.110 flat angles P-C4'-P energy: -9.744 tors. eta vs tors. theta energy: -17.810 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: 2, replica: 7 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -224.811868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.811868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.811868 (E_RNA) where: Base-Base interactions energy: -159.502 where: short stacking energy: -66.676 Base-Backbone interact. energy: 0.121 local terms energy: -65.431061 where: bonds (distance) C4'-P energy: -13.545 bonds (distance) P-C4' energy: -14.040 flat angles C4'-P-C4' energy: -11.299 flat angles P-C4'-P energy: -11.050 tors. eta vs tors. theta energy: -15.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -214.792150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.792150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.792150 (E_RNA) where: Base-Base interactions energy: -144.042 where: short stacking energy: -65.090 Base-Backbone interact. energy: -0.435 local terms energy: -70.315900 where: bonds (distance) C4'-P energy: -13.102 bonds (distance) P-C4' energy: -16.833 flat angles C4'-P-C4' energy: -14.474 flat angles P-C4'-P energy: -9.358 tors. eta vs tors. theta energy: -16.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -212.020274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.020274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.020274 (E_RNA) where: Base-Base interactions energy: -139.747 where: short stacking energy: -58.322 Base-Backbone interact. energy: -0.161 local terms energy: -72.112158 where: bonds (distance) C4'-P energy: -14.908 bonds (distance) P-C4' energy: -15.625 flat angles C4'-P-C4' energy: -15.784 flat angles P-C4'-P energy: -8.082 tors. eta vs tors. theta energy: -17.713 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: 4 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -174.950672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.950672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.950672 (E_RNA) where: Base-Base interactions energy: -109.426 where: short stacking energy: -51.083 Base-Backbone interact. energy: -0.005 local terms energy: -65.519037 where: bonds (distance) C4'-P energy: -14.770 bonds (distance) P-C4' energy: -16.569 flat angles C4'-P-C4' energy: -11.220 flat angles P-C4'-P energy: -10.336 tors. eta vs tors. theta energy: -12.624 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: 8 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -167.465304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.465304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.465304 (E_RNA) where: Base-Base interactions energy: -115.849 where: short stacking energy: -50.527 Base-Backbone interact. energy: 0.103 local terms energy: -51.718806 where: bonds (distance) C4'-P energy: -12.886 bonds (distance) P-C4' energy: -13.474 flat angles C4'-P-C4' energy: -11.805 flat angles P-C4'-P energy: -3.812 tors. eta vs tors. theta energy: -9.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -176.534819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.534819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.534819 (E_RNA) where: Base-Base interactions energy: -111.328 where: short stacking energy: -54.087 Base-Backbone interact. energy: -0.541 local terms energy: -64.665746 where: bonds (distance) C4'-P energy: -12.919 bonds (distance) P-C4' energy: -12.627 flat angles C4'-P-C4' energy: -16.034 flat angles P-C4'-P energy: -7.037 tors. eta vs tors. theta energy: -16.048 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: 6 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -78.478729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.478729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.478729 (E_RNA) where: Base-Base interactions energy: -31.975 where: short stacking energy: -27.806 Base-Backbone interact. energy: -0.165 local terms energy: -46.338815 where: bonds (distance) C4'-P energy: -10.887 bonds (distance) P-C4' energy: -16.410 flat angles C4'-P-C4' energy: -7.783 flat angles P-C4'-P energy: -6.143 tors. eta vs tors. theta energy: -5.115 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: 2 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -90.245140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.245140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.245140 (E_RNA) where: Base-Base interactions energy: -43.103 where: short stacking energy: -31.356 Base-Backbone interact. energy: -0.038 local terms energy: -47.103787 where: bonds (distance) C4'-P energy: -14.753 bonds (distance) P-C4' energy: -13.194 flat angles C4'-P-C4' energy: -7.978 flat angles P-C4'-P energy: -10.661 tors. eta vs tors. theta energy: -0.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -82.316726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.316726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.316726 (E_RNA) where: Base-Base interactions energy: -31.134 where: short stacking energy: -23.368 Base-Backbone interact. energy: -0.039 local terms energy: -51.143539 where: bonds (distance) C4'-P energy: -12.543 bonds (distance) P-C4' energy: -15.834 flat angles C4'-P-C4' energy: -14.286 flat angles P-C4'-P energy: -7.150 tors. eta vs tors. theta energy: -1.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -225.701237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.701237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.701237 (E_RNA) where: Base-Base interactions energy: -152.597 where: short stacking energy: -67.614 Base-Backbone interact. energy: -0.004 local terms energy: -73.099668 where: bonds (distance) C4'-P energy: -15.761 bonds (distance) P-C4' energy: -13.557 flat angles C4'-P-C4' energy: -15.882 flat angles P-C4'-P energy: -10.468 tors. eta vs tors. theta energy: -17.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -213.562027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.562027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.562027 (E_RNA) where: Base-Base interactions energy: -148.026 where: short stacking energy: -64.067 Base-Backbone interact. energy: -0.015 local terms energy: -65.521419 where: bonds (distance) C4'-P energy: -11.885 bonds (distance) P-C4' energy: -12.983 flat angles C4'-P-C4' energy: -14.826 flat angles P-C4'-P energy: -6.083 tors. eta vs tors. theta energy: -19.745 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: 10 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -213.730240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.730240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.730240 (E_RNA) where: Base-Base interactions energy: -147.214 where: short stacking energy: -62.887 Base-Backbone interact. energy: -0.452 local terms energy: -66.064034 where: bonds (distance) C4'-P energy: -4.138 bonds (distance) P-C4' energy: -16.076 flat angles C4'-P-C4' energy: -17.294 flat angles P-C4'-P energy: -10.134 tors. eta vs tors. theta energy: -18.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -203.381540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.381540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.381540 (E_RNA) where: Base-Base interactions energy: -136.802 where: short stacking energy: -57.693 Base-Backbone interact. energy: -0.498 local terms energy: -66.081122 where: bonds (distance) C4'-P energy: -13.305 bonds (distance) P-C4' energy: -16.737 flat angles C4'-P-C4' energy: -15.061 flat angles P-C4'-P energy: -6.786 tors. eta vs tors. theta energy: -14.191 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: 8 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -187.875585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.875585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.875585 (E_RNA) where: Base-Base interactions energy: -119.366 where: short stacking energy: -64.431 Base-Backbone interact. energy: -0.167 local terms energy: -68.342953 where: bonds (distance) C4'-P energy: -9.229 bonds (distance) P-C4' energy: -15.192 flat angles C4'-P-C4' energy: -15.741 flat angles P-C4'-P energy: -10.411 tors. eta vs tors. theta energy: -17.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -185.472767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.472767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.472767 (E_RNA) where: Base-Base interactions energy: -125.233 where: short stacking energy: -54.165 Base-Backbone interact. energy: -0.713 local terms energy: -59.526907 where: bonds (distance) C4'-P energy: -12.585 bonds (distance) P-C4' energy: -14.045 flat angles C4'-P-C4' energy: -9.065 flat angles P-C4'-P energy: -10.842 tors. eta vs tors. theta energy: -12.990 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: 5 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -148.989725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.989725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.989725 (E_RNA) where: Base-Base interactions energy: -95.068 where: short stacking energy: -39.171 Base-Backbone interact. energy: -0.016 local terms energy: -53.905542 where: bonds (distance) C4'-P energy: -10.299 bonds (distance) P-C4' energy: -11.508 flat angles C4'-P-C4' energy: -12.959 flat angles P-C4'-P energy: -8.060 tors. eta vs tors. theta energy: -11.079 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: 6 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -87.552619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.552619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.552619 (E_RNA) where: Base-Base interactions energy: -38.466 where: short stacking energy: -37.755 Base-Backbone interact. energy: 0.267 local terms energy: -49.352982 where: bonds (distance) C4'-P energy: -10.166 bonds (distance) P-C4' energy: -14.420 flat angles C4'-P-C4' energy: -12.450 flat angles P-C4'-P energy: -7.967 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: 9, replica: 3 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -77.573162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.573162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.573162 (E_RNA) where: Base-Base interactions energy: -31.713 where: short stacking energy: -24.893 Base-Backbone interact. energy: 4.566 local terms energy: -50.426266 where: bonds (distance) C4'-P energy: -16.086 bonds (distance) P-C4' energy: -14.818 flat angles C4'-P-C4' energy: -9.393 flat angles P-C4'-P energy: -7.571 tors. eta vs tors. theta energy: -2.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -76.537296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.537296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.537296 (E_RNA) where: Base-Base interactions energy: -33.483 where: short stacking energy: -33.359 Base-Backbone interact. energy: 2.390 local terms energy: -45.444593 where: bonds (distance) C4'-P energy: -9.761 bonds (distance) P-C4' energy: -13.898 flat angles C4'-P-C4' energy: -11.180 flat angles P-C4'-P energy: -6.405 tors. eta vs tors. theta energy: -4.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -225.555148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.555148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.555148 (E_RNA) where: Base-Base interactions energy: -152.914 where: short stacking energy: -69.186 Base-Backbone interact. energy: -0.981 local terms energy: -71.659798 where: bonds (distance) C4'-P energy: -14.420 bonds (distance) P-C4' energy: -17.252 flat angles C4'-P-C4' energy: -12.298 flat angles P-C4'-P energy: -11.249 tors. eta vs tors. theta energy: -16.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -213.235087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.235087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.235087 (E_RNA) where: Base-Base interactions energy: -144.860 where: short stacking energy: -58.421 Base-Backbone interact. energy: -1.204 local terms energy: -67.171576 where: bonds (distance) C4'-P energy: -14.829 bonds (distance) P-C4' energy: -14.977 flat angles C4'-P-C4' energy: -15.106 flat angles P-C4'-P energy: -7.781 tors. eta vs tors. theta energy: -14.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -206.384084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.384084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.384084 (E_RNA) where: Base-Base interactions energy: -128.248 where: short stacking energy: -51.774 Base-Backbone interact. energy: -0.717 local terms energy: -77.419237 where: bonds (distance) C4'-P energy: -14.485 bonds (distance) P-C4' energy: -15.677 flat angles C4'-P-C4' energy: -15.891 flat angles P-C4'-P energy: -11.450 tors. eta vs tors. theta energy: -19.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -197.072193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.072193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.072193 (E_RNA) where: Base-Base interactions energy: -134.598 where: short stacking energy: -52.944 Base-Backbone interact. energy: 1.739 local terms energy: -64.213236 where: bonds (distance) C4'-P energy: -15.892 bonds (distance) P-C4' energy: -15.223 flat angles C4'-P-C4' energy: -11.691 flat angles P-C4'-P energy: -11.378 tors. eta vs tors. theta energy: -10.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -184.118178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.118178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.118178 (E_RNA) where: Base-Base interactions energy: -125.937 where: short stacking energy: -50.773 Base-Backbone interact. energy: -0.043 local terms energy: -58.138071 where: bonds (distance) C4'-P energy: -14.022 bonds (distance) P-C4' energy: -16.357 flat angles C4'-P-C4' energy: -12.161 flat angles P-C4'-P energy: -6.990 tors. eta vs tors. theta energy: -8.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -180.925750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.925750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.925750 (E_RNA) where: Base-Base interactions energy: -118.527 where: short stacking energy: -48.243 Base-Backbone interact. energy: -0.067 local terms energy: -62.332311 where: bonds (distance) C4'-P energy: -11.285 bonds (distance) P-C4' energy: -16.106 flat angles C4'-P-C4' energy: -13.607 flat angles P-C4'-P energy: -10.673 tors. eta vs tors. theta energy: -10.660 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: 4 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -170.448853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.448853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.448853 (E_RNA) where: Base-Base interactions energy: -113.263 where: short stacking energy: -49.165 Base-Backbone interact. energy: -0.249 local terms energy: -56.937056 where: bonds (distance) C4'-P energy: -11.968 bonds (distance) P-C4' energy: -11.978 flat angles C4'-P-C4' energy: -10.195 flat angles P-C4'-P energy: -7.024 tors. eta vs tors. theta energy: -15.771 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: 8, replica: 6 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -91.584057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.584057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.584057 (E_RNA) where: Base-Base interactions energy: -36.680 where: short stacking energy: -33.758 Base-Backbone interact. energy: -0.158 local terms energy: -54.746019 where: bonds (distance) C4'-P energy: -10.026 bonds (distance) P-C4' energy: -12.989 flat angles C4'-P-C4' energy: -16.270 flat angles P-C4'-P energy: -9.433 tors. eta vs tors. theta energy: -6.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -76.237015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.237015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.237015 (E_RNA) where: Base-Base interactions energy: -27.242 where: short stacking energy: -24.842 Base-Backbone interact. energy: -0.507 local terms energy: -48.487697 where: bonds (distance) C4'-P energy: -16.233 bonds (distance) P-C4' energy: -12.843 flat angles C4'-P-C4' energy: -6.916 flat angles P-C4'-P energy: -11.884 tors. eta vs tors. theta energy: -0.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -73.903981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.903981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.903981 (E_RNA) where: Base-Base interactions energy: -34.806 where: short stacking energy: -22.078 Base-Backbone interact. energy: 0.219 local terms energy: -39.316755 where: bonds (distance) C4'-P energy: -11.284 bonds (distance) P-C4' energy: -12.509 flat angles C4'-P-C4' energy: -7.103 flat angles P-C4'-P energy: -4.283 tors. eta vs tors. theta energy: -4.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -222.905816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.905816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.905816 (E_RNA) where: Base-Base interactions energy: -154.763 where: short stacking energy: -64.424 Base-Backbone interact. energy: -0.656 local terms energy: -67.486757 where: bonds (distance) C4'-P energy: -13.218 bonds (distance) P-C4' energy: -16.806 flat angles C4'-P-C4' energy: -11.406 flat angles P-C4'-P energy: -8.753 tors. eta vs tors. theta energy: -17.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -220.094092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.094092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.094092 (E_RNA) where: Base-Base interactions energy: -151.574 where: short stacking energy: -64.976 Base-Backbone interact. energy: -0.019 local terms energy: -68.501340 where: bonds (distance) C4'-P energy: -14.270 bonds (distance) P-C4' energy: -13.557 flat angles C4'-P-C4' energy: -15.674 flat angles P-C4'-P energy: -10.155 tors. eta vs tors. theta energy: -14.845 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: 3, replica: 1 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -203.572188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.572188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.572188 (E_RNA) where: Base-Base interactions energy: -146.238 where: short stacking energy: -61.548 Base-Backbone interact. energy: -0.843 local terms energy: -56.491034 where: bonds (distance) C4'-P energy: -10.311 bonds (distance) P-C4' energy: -14.021 flat angles C4'-P-C4' energy: -11.499 flat angles P-C4'-P energy: -5.341 tors. eta vs tors. theta energy: -15.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -188.261414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.261414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.261414 (E_RNA) where: Base-Base interactions energy: -123.302 where: short stacking energy: -57.363 Base-Backbone interact. energy: -0.361 local terms energy: -64.598921 where: bonds (distance) C4'-P energy: -12.021 bonds (distance) P-C4' energy: -14.653 flat angles C4'-P-C4' energy: -17.040 flat angles P-C4'-P energy: -8.407 tors. eta vs tors. theta energy: -12.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -177.686199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.686199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.686199 (E_RNA) where: Base-Base interactions energy: -115.326 where: short stacking energy: -53.623 Base-Backbone interact. energy: -0.254 local terms energy: -62.106335 where: bonds (distance) C4'-P energy: -15.521 bonds (distance) P-C4' energy: -11.431 flat angles C4'-P-C4' energy: -13.641 flat angles P-C4'-P energy: -9.479 tors. eta vs tors. theta energy: -12.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -180.319013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.319013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.319013 (E_RNA) where: Base-Base interactions energy: -111.958 where: short stacking energy: -53.361 Base-Backbone interact. energy: -0.051 local terms energy: -68.309882 where: bonds (distance) C4'-P energy: -15.763 bonds (distance) P-C4' energy: -10.125 flat angles C4'-P-C4' energy: -17.710 flat angles P-C4'-P energy: -10.946 tors. eta vs tors. theta energy: -13.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -182.499874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.499874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.499874 (E_RNA) where: Base-Base interactions energy: -125.793 where: short stacking energy: -56.093 Base-Backbone interact. energy: -0.100 local terms energy: -56.606379 where: bonds (distance) C4'-P energy: -15.144 bonds (distance) P-C4' energy: -10.071 flat angles C4'-P-C4' energy: -12.776 flat angles P-C4'-P energy: -5.739 tors. eta vs tors. theta energy: -12.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -81.994936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.994936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.994936 (E_RNA) where: Base-Base interactions energy: -35.208 where: short stacking energy: -25.457 Base-Backbone interact. energy: -0.117 local terms energy: -46.669412 where: bonds (distance) C4'-P energy: -10.539 bonds (distance) P-C4' energy: -16.400 flat angles C4'-P-C4' energy: -7.641 flat angles P-C4'-P energy: -11.348 tors. eta vs tors. theta energy: -0.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -82.310092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.310092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.310092 (E_RNA) where: Base-Base interactions energy: -32.404 where: short stacking energy: -16.577 Base-Backbone interact. energy: 3.289 local terms energy: -53.195145 where: bonds (distance) C4'-P energy: -13.524 bonds (distance) P-C4' energy: -14.373 flat angles C4'-P-C4' energy: -14.769 flat angles P-C4'-P energy: -7.169 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: 10, replica: 2 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -88.142679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.142679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.142679 (E_RNA) where: Base-Base interactions energy: -38.814 where: short stacking energy: -18.897 Base-Backbone interact. energy: -0.692 local terms energy: -48.636408 where: bonds (distance) C4'-P energy: -7.912 bonds (distance) P-C4' energy: -16.980 flat angles C4'-P-C4' energy: -12.005 flat angles P-C4'-P energy: -9.908 tors. eta vs tors. theta energy: -1.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -229.906175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.906175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.906175 (E_RNA) where: Base-Base interactions energy: -159.236 where: short stacking energy: -65.967 Base-Backbone interact. energy: -0.261 local terms energy: -70.409241 where: bonds (distance) C4'-P energy: -13.833 bonds (distance) P-C4' energy: -16.898 flat angles C4'-P-C4' energy: -12.862 flat angles P-C4'-P energy: -8.765 tors. eta vs tors. theta energy: -18.051 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: 10 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -214.433871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.433871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.433871 (E_RNA) where: Base-Base interactions energy: -148.948 where: short stacking energy: -62.556 Base-Backbone interact. energy: -0.009 local terms energy: -65.476441 where: bonds (distance) C4'-P energy: -12.569 bonds (distance) P-C4' energy: -17.069 flat angles C4'-P-C4' energy: -14.994 flat angles P-C4'-P energy: -6.146 tors. eta vs tors. theta energy: -14.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -214.259294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.259294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.259294 (E_RNA) where: Base-Base interactions energy: -146.304 where: short stacking energy: -64.669 Base-Backbone interact. energy: -0.326 local terms energy: -67.628998 where: bonds (distance) C4'-P energy: -16.608 bonds (distance) P-C4' energy: -11.160 flat angles C4'-P-C4' energy: -12.271 flat angles P-C4'-P energy: -8.748 tors. eta vs tors. theta energy: -18.842 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: 9 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -195.674277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.674277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.674277 (E_RNA) where: Base-Base interactions energy: -129.570 where: short stacking energy: -56.328 Base-Backbone interact. energy: 0.219 local terms energy: -66.323771 where: bonds (distance) C4'-P energy: -14.998 bonds (distance) P-C4' energy: -13.654 flat angles C4'-P-C4' energy: -15.387 flat angles P-C4'-P energy: -8.405 tors. eta vs tors. theta energy: -13.879 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: 5, replica: 5 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -169.023426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.023426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.023426 (E_RNA) where: Base-Base interactions energy: -109.779 where: short stacking energy: -53.220 Base-Backbone interact. energy: -0.001 local terms energy: -59.243192 where: bonds (distance) C4'-P energy: -9.447 bonds (distance) P-C4' energy: -13.067 flat angles C4'-P-C4' energy: -13.595 flat angles P-C4'-P energy: -10.345 tors. eta vs tors. theta energy: -12.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -176.169455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.169455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.169455 (E_RNA) where: Base-Base interactions energy: -117.227 where: short stacking energy: -56.594 Base-Backbone interact. energy: -0.359 local terms energy: -58.583633 where: bonds (distance) C4'-P energy: -13.872 bonds (distance) P-C4' energy: -8.714 flat angles C4'-P-C4' energy: -12.329 flat angles P-C4'-P energy: -11.005 tors. eta vs tors. theta energy: -12.663 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: 7, replica: 4 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -152.581455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.581455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.581455 (E_RNA) where: Base-Base interactions energy: -97.719 where: short stacking energy: -47.347 Base-Backbone interact. energy: -0.083 local terms energy: -54.779555 where: bonds (distance) C4'-P energy: -11.756 bonds (distance) P-C4' energy: -13.210 flat angles C4'-P-C4' energy: -14.772 flat angles P-C4'-P energy: -8.797 tors. eta vs tors. theta energy: -6.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -91.601169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.601169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.601169 (E_RNA) where: Base-Base interactions energy: -41.207 where: short stacking energy: -29.894 Base-Backbone interact. energy: -0.104 local terms energy: -50.289970 where: bonds (distance) C4'-P energy: -14.137 bonds (distance) P-C4' energy: -14.001 flat angles C4'-P-C4' energy: -10.551 flat angles P-C4'-P energy: -7.981 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: 9, replica: 3 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -94.622841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.622841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.622841 (E_RNA) where: Base-Base interactions energy: -46.252 where: short stacking energy: -27.512 Base-Backbone interact. energy: -0.012 local terms energy: -48.358774 where: bonds (distance) C4'-P energy: -9.785 bonds (distance) P-C4' energy: -10.777 flat angles C4'-P-C4' energy: -13.449 flat angles P-C4'-P energy: -7.791 tors. eta vs tors. theta energy: -6.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -144.158783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.158783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.158783 (E_RNA) where: Base-Base interactions energy: -96.970 where: short stacking energy: -33.211 Base-Backbone interact. energy: -0.190 local terms energy: -46.998721 where: bonds (distance) C4'-P energy: -13.107 bonds (distance) P-C4' energy: -12.003 flat angles C4'-P-C4' energy: -14.107 flat angles P-C4'-P energy: -5.897 tors. eta vs tors. theta energy: -1.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -213.967460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.967460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.967460 (E_RNA) where: Base-Base interactions energy: -150.706 where: short stacking energy: -63.351 Base-Backbone interact. energy: -0.614 local terms energy: -62.647854 where: bonds (distance) C4'-P energy: -13.118 bonds (distance) P-C4' energy: -14.563 flat angles C4'-P-C4' energy: -11.457 flat angles P-C4'-P energy: -8.982 tors. eta vs tors. theta energy: -14.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -219.099303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.099303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.099303 (E_RNA) where: Base-Base interactions energy: -154.616 where: short stacking energy: -69.122 Base-Backbone interact. energy: -0.001 local terms energy: -64.481781 where: bonds (distance) C4'-P energy: -11.913 bonds (distance) P-C4' energy: -13.537 flat angles C4'-P-C4' energy: -14.830 flat angles P-C4'-P energy: -10.465 tors. eta vs tors. theta energy: -13.737 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: 3, replica: 1 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -211.942003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.942003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.942003 (E_RNA) where: Base-Base interactions energy: -137.371 where: short stacking energy: -61.026 Base-Backbone interact. energy: -0.005 local terms energy: -74.566368 where: bonds (distance) C4'-P energy: -15.670 bonds (distance) P-C4' energy: -16.840 flat angles C4'-P-C4' energy: -10.500 flat angles P-C4'-P energy: -12.575 tors. eta vs tors. theta energy: -18.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -191.176093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.176093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.176093 (E_RNA) where: Base-Base interactions energy: -135.441 where: short stacking energy: -56.174 Base-Backbone interact. energy: -0.003 local terms energy: -55.732555 where: bonds (distance) C4'-P energy: -10.116 bonds (distance) P-C4' energy: -12.110 flat angles C4'-P-C4' energy: -13.888 flat angles P-C4'-P energy: -7.941 tors. eta vs tors. theta energy: -11.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -182.617818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.617818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.617818 (E_RNA) where: Base-Base interactions energy: -117.436 where: short stacking energy: -60.453 Base-Backbone interact. energy: -0.063 local terms energy: -65.118141 where: bonds (distance) C4'-P energy: -13.071 bonds (distance) P-C4' energy: -8.872 flat angles C4'-P-C4' energy: -16.015 flat angles P-C4'-P energy: -11.735 tors. eta vs tors. theta energy: -15.425 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: 5 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -183.652156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.652156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.652156 (E_RNA) where: Base-Base interactions energy: -118.638 where: short stacking energy: -53.906 Base-Backbone interact. energy: -0.424 local terms energy: -64.590050 where: bonds (distance) C4'-P energy: -12.054 bonds (distance) P-C4' energy: -13.031 flat angles C4'-P-C4' energy: -14.977 flat angles P-C4'-P energy: -7.914 tors. eta vs tors. theta energy: -16.613 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: 162 Temperature: 1.200000 Total energy: -162.233784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.233784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.233784 (E_RNA) where: Base-Base interactions energy: -112.758 where: short stacking energy: -44.421 Base-Backbone interact. energy: -0.075 local terms energy: -49.401527 where: bonds (distance) C4'-P energy: -10.709 bonds (distance) P-C4' energy: -12.674 flat angles C4'-P-C4' energy: -14.269 flat angles P-C4'-P energy: -4.727 tors. eta vs tors. theta energy: -7.023 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: 6 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -77.188256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.188256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.188256 (E_RNA) where: Base-Base interactions energy: -25.115 where: short stacking energy: -23.315 Base-Backbone interact. energy: -0.055 local terms energy: -52.018469 where: bonds (distance) C4'-P energy: -15.664 bonds (distance) P-C4' energy: -14.129 flat angles C4'-P-C4' energy: -14.472 flat angles P-C4'-P energy: -7.978 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: 2 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -157.854163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.854163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.854163 (E_RNA) where: Base-Base interactions energy: -108.158 where: short stacking energy: -45.595 Base-Backbone interact. energy: 0.192 local terms energy: -49.887390 where: bonds (distance) C4'-P energy: -14.055 bonds (distance) P-C4' energy: -11.201 flat angles C4'-P-C4' energy: -12.386 flat angles P-C4'-P energy: -2.779 tors. eta vs tors. theta energy: -9.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -76.143060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.143060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.143060 (E_RNA) where: Base-Base interactions energy: -35.333 where: short stacking energy: -27.954 Base-Backbone interact. energy: 0.779 local terms energy: -41.588607 where: bonds (distance) C4'-P energy: -11.103 bonds (distance) P-C4' energy: -12.787 flat angles C4'-P-C4' energy: -10.059 flat angles P-C4'-P energy: -5.328 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: 10 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -219.117466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.117466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.117466 (E_RNA) where: Base-Base interactions energy: -140.860 where: short stacking energy: -62.590 Base-Backbone interact. energy: -0.629 local terms energy: -77.627687 where: bonds (distance) C4'-P energy: -16.715 bonds (distance) P-C4' energy: -15.930 flat angles C4'-P-C4' energy: -15.804 flat angles P-C4'-P energy: -11.933 tors. eta vs tors. theta energy: -17.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -222.425831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.425831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.425831 (E_RNA) where: Base-Base interactions energy: -148.592 where: short stacking energy: -62.799 Base-Backbone interact. energy: -0.002 local terms energy: -73.831050 where: bonds (distance) C4'-P energy: -13.843 bonds (distance) P-C4' energy: -14.722 flat angles C4'-P-C4' energy: -16.385 flat angles P-C4'-P energy: -12.207 tors. eta vs tors. theta energy: -16.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -215.124335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.124335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.124335 (E_RNA) where: Base-Base interactions energy: -143.921 where: short stacking energy: -59.891 Base-Backbone interact. energy: -0.021 local terms energy: -71.182310 where: bonds (distance) C4'-P energy: -15.267 bonds (distance) P-C4' energy: -16.474 flat angles C4'-P-C4' energy: -13.784 flat angles P-C4'-P energy: -6.559 tors. eta vs tors. theta energy: -19.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -193.869305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.869305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.869305 (E_RNA) where: Base-Base interactions energy: -122.976 where: short stacking energy: -62.141 Base-Backbone interact. energy: 0.091 local terms energy: -70.985111 where: bonds (distance) C4'-P energy: -12.725 bonds (distance) P-C4' energy: -15.717 flat angles C4'-P-C4' energy: -14.037 flat angles P-C4'-P energy: -8.149 tors. eta vs tors. theta energy: -20.358 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: 9 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -196.925309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.925309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.925309 (E_RNA) where: Base-Base interactions energy: -128.195 where: short stacking energy: -52.559 Base-Backbone interact. energy: -0.377 local terms energy: -68.353486 where: bonds (distance) C4'-P energy: -15.014 bonds (distance) P-C4' energy: -16.668 flat angles C4'-P-C4' energy: -13.800 flat angles P-C4'-P energy: -8.921 tors. eta vs tors. theta energy: -13.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -177.705374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.705374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.705374 (E_RNA) where: Base-Base interactions energy: -116.325 where: short stacking energy: -52.133 Base-Backbone interact. energy: -1.040 local terms energy: -60.340977 where: bonds (distance) C4'-P energy: -13.776 bonds (distance) P-C4' energy: -16.047 flat angles C4'-P-C4' energy: -12.655 flat angles P-C4'-P energy: -5.759 tors. eta vs tors. theta energy: -12.103 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: 4 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -154.001702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.001702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.001702 (E_RNA) where: Base-Base interactions energy: -97.448 where: short stacking energy: -41.823 Base-Backbone interact. energy: -0.710 local terms energy: -55.843651 where: bonds (distance) C4'-P energy: -7.087 bonds (distance) P-C4' energy: -16.784 flat angles C4'-P-C4' energy: -15.291 flat angles P-C4'-P energy: -3.330 tors. eta vs tors. theta energy: -13.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -151.914822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.914822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.914822 (E_RNA) where: Base-Base interactions energy: -105.985 where: short stacking energy: -38.494 Base-Backbone interact. energy: -0.259 local terms energy: -45.670296 where: bonds (distance) C4'-P energy: -11.467 bonds (distance) P-C4' energy: -10.399 flat angles C4'-P-C4' energy: -12.737 flat angles P-C4'-P energy: -6.860 tors. eta vs tors. theta energy: -4.208 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: 9, replica: 6 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -90.640857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.640857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.640857 (E_RNA) where: Base-Base interactions energy: -41.709 where: short stacking energy: -27.549 Base-Backbone interact. energy: 0.206 local terms energy: -49.137514 where: bonds (distance) C4'-P energy: -11.834 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -11.014 flat angles P-C4'-P energy: -11.794 tors. eta vs tors. theta energy: -5.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -79.375926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.375926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.375926 (E_RNA) where: Base-Base interactions energy: -32.309 where: short stacking energy: -32.309 Base-Backbone interact. energy: -0.084 local terms energy: -46.983397 where: bonds (distance) C4'-P energy: -12.162 bonds (distance) P-C4' energy: -11.461 flat angles C4'-P-C4' energy: -9.150 flat angles P-C4'-P energy: -11.886 tors. eta vs tors. theta energy: -2.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -226.820127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.820127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.820127 (E_RNA) where: Base-Base interactions energy: -157.367 where: short stacking energy: -68.896 Base-Backbone interact. energy: -0.002 local terms energy: -69.451703 where: bonds (distance) C4'-P energy: -13.525 bonds (distance) P-C4' energy: -9.555 flat angles C4'-P-C4' energy: -15.670 flat angles P-C4'-P energy: -12.709 tors. eta vs tors. theta energy: -17.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -218.658163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.658163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.658163 (E_RNA) where: Base-Base interactions energy: -145.760 where: short stacking energy: -56.140 Base-Backbone interact. energy: -0.594 local terms energy: -72.304368 where: bonds (distance) C4'-P energy: -16.223 bonds (distance) P-C4' energy: -16.386 flat angles C4'-P-C4' energy: -15.709 flat angles P-C4'-P energy: -7.483 tors. eta vs tors. theta energy: -16.504 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: 1 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -212.534140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.534140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.534140 (E_RNA) where: Base-Base interactions energy: -146.093 where: short stacking energy: -60.928 Base-Backbone interact. energy: -0.234 local terms energy: -66.206397 where: bonds (distance) C4'-P energy: -14.651 bonds (distance) P-C4' energy: -14.631 flat angles C4'-P-C4' energy: -14.496 flat angles P-C4'-P energy: -6.012 tors. eta vs tors. theta energy: -16.416 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: 8 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -190.951643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.951643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.951643 (E_RNA) where: Base-Base interactions energy: -124.583 where: short stacking energy: -68.222 Base-Backbone interact. energy: -0.129 local terms energy: -66.239322 where: bonds (distance) C4'-P energy: -12.803 bonds (distance) P-C4' energy: -13.192 flat angles C4'-P-C4' energy: -15.408 flat angles P-C4'-P energy: -6.540 tors. eta vs tors. theta energy: -18.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -181.817749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.817749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.817749 (E_RNA) where: Base-Base interactions energy: -111.036 where: short stacking energy: -56.296 Base-Backbone interact. energy: 0.131 local terms energy: -70.912824 where: bonds (distance) C4'-P energy: -14.136 bonds (distance) P-C4' energy: -12.817 flat angles C4'-P-C4' energy: -14.177 flat angles P-C4'-P energy: -11.612 tors. eta vs tors. theta energy: -18.171 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: 5 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -175.669613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.669613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.669613 (E_RNA) where: Base-Base interactions energy: -113.097 where: short stacking energy: -52.238 Base-Backbone interact. energy: -0.158 local terms energy: -62.414109 where: bonds (distance) C4'-P energy: -12.888 bonds (distance) P-C4' energy: -15.437 flat angles C4'-P-C4' energy: -9.254 flat angles P-C4'-P energy: -10.606 tors. eta vs tors. theta energy: -14.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -166.386610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.386610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.386610 (E_RNA) where: Base-Base interactions energy: -114.754 where: short stacking energy: -42.837 Base-Backbone interact. energy: -0.147 local terms energy: -51.485224 where: bonds (distance) C4'-P energy: -11.157 bonds (distance) P-C4' energy: -15.100 flat angles C4'-P-C4' energy: -15.295 flat angles P-C4'-P energy: -7.347 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: 2 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -169.881647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.881647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.881647 (E_RNA) where: Base-Base interactions energy: -106.626 where: short stacking energy: -52.952 Base-Backbone interact. energy: -0.179 local terms energy: -63.077064 where: bonds (distance) C4'-P energy: -12.642 bonds (distance) P-C4' energy: -8.924 flat angles C4'-P-C4' energy: -13.861 flat angles P-C4'-P energy: -10.189 tors. eta vs tors. theta energy: -17.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -103.054765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.054765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.054765 (E_RNA) where: Base-Base interactions energy: -57.048 where: short stacking energy: -31.281 Base-Backbone interact. energy: -0.308 local terms energy: -45.698233 where: bonds (distance) C4'-P energy: -7.982 bonds (distance) P-C4' energy: -13.660 flat angles C4'-P-C4' energy: -11.670 flat angles P-C4'-P energy: -8.981 tors. eta vs tors. theta energy: -3.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -81.845898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.845898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.845898 (E_RNA) where: Base-Base interactions energy: -41.322 where: short stacking energy: -26.338 Base-Backbone interact. energy: -0.573 local terms energy: -39.951102 where: bonds (distance) C4'-P energy: -11.056 bonds (distance) P-C4' energy: -11.018 flat angles C4'-P-C4' energy: -10.594 flat angles P-C4'-P energy: -6.098 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: 1, replica: 7 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -230.039968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.039968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.039968 (E_RNA) where: Base-Base interactions energy: -159.448 where: short stacking energy: -68.612 Base-Backbone interact. energy: -0.495 local terms energy: -70.096774 where: bonds (distance) C4'-P energy: -11.637 bonds (distance) P-C4' energy: -14.851 flat angles C4'-P-C4' energy: -13.022 flat angles P-C4'-P energy: -11.858 tors. eta vs tors. theta energy: -18.729 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: 2, replica: 10 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -220.395565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.395565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.395565 (E_RNA) where: Base-Base interactions energy: -150.539 where: short stacking energy: -63.566 Base-Backbone interact. energy: -0.839 local terms energy: -69.017520 where: bonds (distance) C4'-P energy: -14.725 bonds (distance) P-C4' energy: -13.405 flat angles C4'-P-C4' energy: -13.554 flat angles P-C4'-P energy: -10.964 tors. eta vs tors. theta energy: -16.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -203.220974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.220974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.220974 (E_RNA) where: Base-Base interactions energy: -133.895 where: short stacking energy: -60.639 Base-Backbone interact. energy: -0.494 local terms energy: -68.831913 where: bonds (distance) C4'-P energy: -14.249 bonds (distance) P-C4' energy: -14.743 flat angles C4'-P-C4' energy: -13.292 flat angles P-C4'-P energy: -9.131 tors. eta vs tors. theta energy: -17.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -193.081769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.081769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.081769 (E_RNA) where: Base-Base interactions energy: -127.548 where: short stacking energy: -54.375 Base-Backbone interact. energy: 0.295 local terms energy: -65.828280 where: bonds (distance) C4'-P energy: -13.239 bonds (distance) P-C4' energy: -15.124 flat angles C4'-P-C4' energy: -13.911 flat angles P-C4'-P energy: -8.554 tors. eta vs tors. theta energy: -14.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -192.154810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.154810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.154810 (E_RNA) where: Base-Base interactions energy: -131.569 where: short stacking energy: -63.680 Base-Backbone interact. energy: -0.012 local terms energy: -60.573457 where: bonds (distance) C4'-P energy: -12.725 bonds (distance) P-C4' energy: -8.563 flat angles C4'-P-C4' energy: -14.564 flat angles P-C4'-P energy: -7.737 tors. eta vs tors. theta energy: -16.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -164.216722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.216722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.216722 (E_RNA) where: Base-Base interactions energy: -114.604 where: short stacking energy: -53.304 Base-Backbone interact. energy: 0.234 local terms energy: -49.846426 where: bonds (distance) C4'-P energy: -9.876 bonds (distance) P-C4' energy: -13.753 flat angles C4'-P-C4' energy: -11.929 flat angles P-C4'-P energy: -6.174 tors. eta vs tors. theta energy: -8.114 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: 5 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -182.025172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.025172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.025172 (E_RNA) where: Base-Base interactions energy: -113.957 where: short stacking energy: -56.114 Base-Backbone interact. energy: -0.038 local terms energy: -68.030449 where: bonds (distance) C4'-P energy: -14.837 bonds (distance) P-C4' energy: -16.597 flat angles C4'-P-C4' energy: -9.854 flat angles P-C4'-P energy: -10.947 tors. eta vs tors. theta energy: -15.794 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: 2 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -160.707299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.707299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.707299 (E_RNA) where: Base-Base interactions energy: -100.887 where: short stacking energy: -49.552 Base-Backbone interact. energy: -0.010 local terms energy: -59.809615 where: bonds (distance) C4'-P energy: -11.252 bonds (distance) P-C4' energy: -14.171 flat angles C4'-P-C4' energy: -15.544 flat angles P-C4'-P energy: -7.268 tors. eta vs tors. theta energy: -11.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -89.477405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.477405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.477405 (E_RNA) where: Base-Base interactions energy: -37.103 where: short stacking energy: -37.103 Base-Backbone interact. energy: -0.004 local terms energy: -52.370271 where: bonds (distance) C4'-P energy: -13.379 bonds (distance) P-C4' energy: -12.576 flat angles C4'-P-C4' energy: -7.306 flat angles P-C4'-P energy: -10.100 tors. eta vs tors. theta energy: -9.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -76.471333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.471333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.471333 (E_RNA) where: Base-Base interactions energy: -30.170 where: short stacking energy: -29.236 Base-Backbone interact. energy: -0.391 local terms energy: -45.910089 where: bonds (distance) C4'-P energy: -12.281 bonds (distance) P-C4' energy: -8.462 flat angles C4'-P-C4' energy: -10.905 flat angles P-C4'-P energy: -11.523 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: 1, replica: 7 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -221.861294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.861294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.861294 (E_RNA) where: Base-Base interactions energy: -151.016 where: short stacking energy: -66.108 Base-Backbone interact. energy: -0.001 local terms energy: -70.844252 where: bonds (distance) C4'-P energy: -16.228 bonds (distance) P-C4' energy: -17.112 flat angles C4'-P-C4' energy: -14.155 flat angles P-C4'-P energy: -5.493 tors. eta vs tors. theta energy: -17.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -216.693930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.693930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.693930 (E_RNA) where: Base-Base interactions energy: -147.656 where: short stacking energy: -63.740 Base-Backbone interact. energy: -0.485 local terms energy: -68.553003 where: bonds (distance) C4'-P energy: -17.172 bonds (distance) P-C4' energy: -13.138 flat angles C4'-P-C4' energy: -16.444 flat angles P-C4'-P energy: -7.703 tors. eta vs tors. theta energy: -14.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -201.743430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.743430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.743430 (E_RNA) where: Base-Base interactions energy: -135.418 where: short stacking energy: -56.225 Base-Backbone interact. energy: -0.324 local terms energy: -66.001305 where: bonds (distance) C4'-P energy: -13.755 bonds (distance) P-C4' energy: -14.126 flat angles C4'-P-C4' energy: -13.097 flat angles P-C4'-P energy: -8.527 tors. eta vs tors. theta energy: -16.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -214.966016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.966016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.966016 (E_RNA) where: Base-Base interactions energy: -145.692 where: short stacking energy: -62.096 Base-Backbone interact. energy: -0.633 local terms energy: -68.641784 where: bonds (distance) C4'-P energy: -14.492 bonds (distance) P-C4' energy: -10.853 flat angles C4'-P-C4' energy: -16.660 flat angles P-C4'-P energy: -8.886 tors. eta vs tors. theta energy: -17.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -207.739207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.739207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.739207 (E_RNA) where: Base-Base interactions energy: -138.701 where: short stacking energy: -61.635 Base-Backbone interact. energy: -0.422 local terms energy: -68.616706 where: bonds (distance) C4'-P energy: -10.439 bonds (distance) P-C4' energy: -13.986 flat angles C4'-P-C4' energy: -15.718 flat angles P-C4'-P energy: -9.830 tors. eta vs tors. theta energy: -18.644 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: 4 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -167.579409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.579409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.579409 (E_RNA) where: Base-Base interactions energy: -112.667 where: short stacking energy: -41.889 Base-Backbone interact. energy: 0.032 local terms energy: -54.945055 where: bonds (distance) C4'-P energy: -11.706 bonds (distance) P-C4' energy: -14.187 flat angles C4'-P-C4' energy: -15.018 flat angles P-C4'-P energy: -6.558 tors. eta vs tors. theta energy: -7.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -161.189217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.189217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.189217 (E_RNA) where: Base-Base interactions energy: -112.130 where: short stacking energy: -48.852 Base-Backbone interact. energy: 0.484 local terms energy: -49.543360 where: bonds (distance) C4'-P energy: -9.997 bonds (distance) P-C4' energy: -13.568 flat angles C4'-P-C4' energy: -8.280 flat angles P-C4'-P energy: -13.172 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: 8, replica: 5 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -154.813512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.813512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.813512 (E_RNA) where: Base-Base interactions energy: -99.207 where: short stacking energy: -45.693 Base-Backbone interact. energy: -0.285 local terms energy: -55.321623 where: bonds (distance) C4'-P energy: -14.285 bonds (distance) P-C4' energy: -14.377 flat angles C4'-P-C4' energy: -7.867 flat angles P-C4'-P energy: -7.010 tors. eta vs tors. theta energy: -11.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -94.870674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.870674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.870674 (E_RNA) where: Base-Base interactions energy: -35.178 where: short stacking energy: -35.178 Base-Backbone interact. energy: 0.066 local terms energy: -59.759131 where: bonds (distance) C4'-P energy: -13.904 bonds (distance) P-C4' energy: -13.483 flat angles C4'-P-C4' energy: -14.802 flat angles P-C4'-P energy: -10.254 tors. eta vs tors. theta energy: -7.316 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: 166 Temperature: 1.350000 Total energy: -78.589929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.589929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.589929 (E_RNA) where: Base-Base interactions energy: -36.137 where: short stacking energy: -35.949 Base-Backbone interact. energy: -0.046 local terms energy: -42.406898 where: bonds (distance) C4'-P energy: -9.653 bonds (distance) P-C4' energy: -11.884 flat angles C4'-P-C4' energy: -14.191 flat angles P-C4'-P energy: -4.973 tors. eta vs tors. theta energy: -1.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -221.378266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.378266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.378266 (E_RNA) where: Base-Base interactions energy: -153.748 where: short stacking energy: -64.639 Base-Backbone interact. energy: -0.067 local terms energy: -67.562811 where: bonds (distance) C4'-P energy: -14.601 bonds (distance) P-C4' energy: -14.267 flat angles C4'-P-C4' energy: -13.912 flat angles P-C4'-P energy: -6.159 tors. eta vs tors. theta energy: -18.624 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: 10 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -218.667388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.667388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.667388 (E_RNA) where: Base-Base interactions energy: -151.096 where: short stacking energy: -65.730 Base-Backbone interact. energy: -0.012 local terms energy: -67.559015 where: bonds (distance) C4'-P energy: -10.200 bonds (distance) P-C4' energy: -16.777 flat angles C4'-P-C4' energy: -14.392 flat angles P-C4'-P energy: -9.468 tors. eta vs tors. theta energy: -16.722 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: 8 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -201.884896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.884896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.884896 (E_RNA) where: Base-Base interactions energy: -140.408 where: short stacking energy: -57.921 Base-Backbone interact. energy: -0.091 local terms energy: -61.386169 where: bonds (distance) C4'-P energy: -13.330 bonds (distance) P-C4' energy: -15.606 flat angles C4'-P-C4' energy: -14.271 flat angles P-C4'-P energy: -3.341 tors. eta vs tors. theta energy: -14.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -215.294835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.294835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.294835 (E_RNA) where: Base-Base interactions energy: -152.499 where: short stacking energy: -69.981 Base-Backbone interact. energy: -0.257 local terms energy: -62.538197 where: bonds (distance) C4'-P energy: -13.910 bonds (distance) P-C4' energy: -16.221 flat angles C4'-P-C4' energy: -11.047 flat angles P-C4'-P energy: -1.020 tors. eta vs tors. theta energy: -20.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -184.075337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.075337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.075337 (E_RNA) where: Base-Base interactions energy: -113.665 where: short stacking energy: -50.872 Base-Backbone interact. energy: -0.271 local terms energy: -70.139392 where: bonds (distance) C4'-P energy: -12.556 bonds (distance) P-C4' energy: -14.999 flat angles C4'-P-C4' energy: -14.276 flat angles P-C4'-P energy: -10.128 tors. eta vs tors. theta energy: -18.180 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: 4 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -185.647010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.647010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.647010 (E_RNA) where: Base-Base interactions energy: -128.619 where: short stacking energy: -55.558 Base-Backbone interact. energy: -0.424 local terms energy: -56.603917 where: bonds (distance) C4'-P energy: -14.103 bonds (distance) P-C4' energy: -11.825 flat angles C4'-P-C4' energy: -13.512 flat angles P-C4'-P energy: -4.370 tors. eta vs tors. theta energy: -12.794 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: 2 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -150.917594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.917594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.917594 (E_RNA) where: Base-Base interactions energy: -92.810 where: short stacking energy: -44.209 Base-Backbone interact. energy: -0.323 local terms energy: -57.784478 where: bonds (distance) C4'-P energy: -12.710 bonds (distance) P-C4' energy: -16.889 flat angles C4'-P-C4' energy: -13.316 flat angles P-C4'-P energy: -7.659 tors. eta vs tors. theta energy: -7.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -128.307194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.307194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.307194 (E_RNA) where: Base-Base interactions energy: -73.743 where: short stacking energy: -36.176 Base-Backbone interact. energy: -0.165 local terms energy: -54.399878 where: bonds (distance) C4'-P energy: -14.439 bonds (distance) P-C4' energy: -8.782 flat angles C4'-P-C4' energy: -16.254 flat angles P-C4'-P energy: -7.137 tors. eta vs tors. theta energy: -7.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -113.714285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.714285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.714285 (E_RNA) where: Base-Base interactions energy: -69.170 where: short stacking energy: -37.790 Base-Backbone interact. energy: -0.121 local terms energy: -44.423261 where: bonds (distance) C4'-P energy: -10.316 bonds (distance) P-C4' energy: -14.611 flat angles C4'-P-C4' energy: -11.497 flat angles P-C4'-P energy: 0.051 tors. eta vs tors. theta energy: -8.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -66.557374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.557374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.557374 (E_RNA) where: Base-Base interactions energy: -21.016 where: short stacking energy: -21.016 Base-Backbone interact. energy: -0.121 local terms energy: -45.420857 where: bonds (distance) C4'-P energy: -15.155 bonds (distance) P-C4' energy: -11.520 flat angles C4'-P-C4' energy: -12.402 flat angles P-C4'-P energy: -2.168 tors. eta vs tors. theta energy: -4.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -219.987131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.987131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.987131 (E_RNA) where: Base-Base interactions energy: -146.547 where: short stacking energy: -66.146 Base-Backbone interact. energy: -0.004 local terms energy: -73.435597 where: bonds (distance) C4'-P energy: -15.272 bonds (distance) P-C4' energy: -14.305 flat angles C4'-P-C4' energy: -16.613 flat angles P-C4'-P energy: -9.510 tors. eta vs tors. theta energy: -17.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -216.415898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.415898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.415898 (E_RNA) where: Base-Base interactions energy: -143.490 where: short stacking energy: -60.826 Base-Backbone interact. energy: -0.816 local terms energy: -72.109998 where: bonds (distance) C4'-P energy: -16.331 bonds (distance) P-C4' energy: -16.795 flat angles C4'-P-C4' energy: -13.582 flat angles P-C4'-P energy: -10.618 tors. eta vs tors. theta energy: -14.783 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: 8 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -208.616106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.616106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.616106 (E_RNA) where: Base-Base interactions energy: -140.305 where: short stacking energy: -59.278 Base-Backbone interact. energy: -0.039 local terms energy: -68.271951 where: bonds (distance) C4'-P energy: -14.249 bonds (distance) P-C4' energy: -16.410 flat angles C4'-P-C4' energy: -15.323 flat angles P-C4'-P energy: -10.479 tors. eta vs tors. theta energy: -11.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -212.748477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.748477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.748477 (E_RNA) where: Base-Base interactions energy: -141.127 where: short stacking energy: -63.265 Base-Backbone interact. energy: -0.020 local terms energy: -71.601665 where: bonds (distance) C4'-P energy: -13.707 bonds (distance) P-C4' energy: -16.439 flat angles C4'-P-C4' energy: -15.602 flat angles P-C4'-P energy: -5.689 tors. eta vs tors. theta energy: -20.165 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: 168 Temperature: 1.100000 Total energy: -203.019677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.019677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.019677 (E_RNA) where: Base-Base interactions energy: -128.346 where: short stacking energy: -63.703 Base-Backbone interact. energy: -0.004 local terms energy: -74.669503 where: bonds (distance) C4'-P energy: -13.633 bonds (distance) P-C4' energy: -13.693 flat angles C4'-P-C4' energy: -16.372 flat angles P-C4'-P energy: -11.273 tors. eta vs tors. theta energy: -19.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -181.389794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.389794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.389794 (E_RNA) where: Base-Base interactions energy: -124.231 where: short stacking energy: -44.360 Base-Backbone interact. energy: -0.516 local terms energy: -56.642885 where: bonds (distance) C4'-P energy: -13.356 bonds (distance) P-C4' energy: -13.535 flat angles C4'-P-C4' energy: -10.902 flat angles P-C4'-P energy: -9.534 tors. eta vs tors. theta energy: -9.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -152.220479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.220479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.220479 (E_RNA) where: Base-Base interactions energy: -93.459 where: short stacking energy: -43.700 Base-Backbone interact. energy: -0.617 local terms energy: -58.144570 where: bonds (distance) C4'-P energy: -11.637 bonds (distance) P-C4' energy: -14.980 flat angles C4'-P-C4' energy: -10.100 flat angles P-C4'-P energy: -10.553 tors. eta vs tors. theta energy: -10.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -154.862343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.862343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.862343 (E_RNA) where: Base-Base interactions energy: -102.709 where: short stacking energy: -53.418 Base-Backbone interact. energy: -0.040 local terms energy: -52.113364 where: bonds (distance) C4'-P energy: -9.869 bonds (distance) P-C4' energy: -12.178 flat angles C4'-P-C4' energy: -14.126 flat angles P-C4'-P energy: -10.939 tors. eta vs tors. theta energy: -5.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -81.562487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.562487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.562487 (E_RNA) where: Base-Base interactions energy: -33.750 where: short stacking energy: -32.469 Base-Backbone interact. energy: -0.093 local terms energy: -47.719464 where: bonds (distance) C4'-P energy: -12.431 bonds (distance) P-C4' energy: -14.786 flat angles C4'-P-C4' energy: -8.524 flat angles P-C4'-P energy: -5.044 tors. eta vs tors. theta energy: -6.934 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: 3 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -78.720424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.720424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.720424 (E_RNA) where: Base-Base interactions energy: -30.979 where: short stacking energy: -20.471 Base-Backbone interact. energy: -0.361 local terms energy: -47.380677 where: bonds (distance) C4'-P energy: -13.455 bonds (distance) P-C4' energy: -15.730 flat angles C4'-P-C4' energy: -10.283 flat angles P-C4'-P energy: -8.086 tors. eta vs tors. theta energy: 0.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -220.972011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.972011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.972011 (E_RNA) where: Base-Base interactions energy: -145.147 where: short stacking energy: -66.991 Base-Backbone interact. energy: -0.954 local terms energy: -74.871017 where: bonds (distance) C4'-P energy: -13.321 bonds (distance) P-C4' energy: -17.460 flat angles C4'-P-C4' energy: -15.575 flat angles P-C4'-P energy: -9.577 tors. eta vs tors. theta energy: -18.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -202.235050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.235050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.235050 (E_RNA) where: Base-Base interactions energy: -139.235 where: short stacking energy: -54.536 Base-Backbone interact. energy: -0.468 local terms energy: -62.531632 where: bonds (distance) C4'-P energy: -15.371 bonds (distance) P-C4' energy: -16.038 flat angles C4'-P-C4' energy: -9.717 flat angles P-C4'-P energy: -6.960 tors. eta vs tors. theta energy: -14.445 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: 3, replica: 7 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -209.995780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.995780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.995780 (E_RNA) where: Base-Base interactions energy: -140.496 where: short stacking energy: -71.661 Base-Backbone interact. energy: -0.172 local terms energy: -69.327510 where: bonds (distance) C4'-P energy: -13.285 bonds (distance) P-C4' energy: -14.845 flat angles C4'-P-C4' energy: -13.416 flat angles P-C4'-P energy: -11.280 tors. eta vs tors. theta energy: -16.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -207.131952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.131952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.131952 (E_RNA) where: Base-Base interactions energy: -139.959 where: short stacking energy: -57.336 Base-Backbone interact. energy: -0.016 local terms energy: -67.156451 where: bonds (distance) C4'-P energy: -15.512 bonds (distance) P-C4' energy: -15.730 flat angles C4'-P-C4' energy: -15.324 flat angles P-C4'-P energy: -9.126 tors. eta vs tors. theta energy: -11.464 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: 4 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -175.410396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.410396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.410396 (E_RNA) where: Base-Base interactions energy: -115.594 where: short stacking energy: -53.297 Base-Backbone interact. energy: -0.025 local terms energy: -59.791295 where: bonds (distance) C4'-P energy: -13.645 bonds (distance) P-C4' energy: -15.011 flat angles C4'-P-C4' energy: -9.599 flat angles P-C4'-P energy: -8.719 tors. eta vs tors. theta energy: -12.816 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: 9 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -186.186549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.186549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.186549 (E_RNA) where: Base-Base interactions energy: -121.717 where: short stacking energy: -43.864 Base-Backbone interact. energy: -0.058 local terms energy: -64.410863 where: bonds (distance) C4'-P energy: -14.146 bonds (distance) P-C4' energy: -14.923 flat angles C4'-P-C4' energy: -13.960 flat angles P-C4'-P energy: -9.086 tors. eta vs tors. theta energy: -12.296 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: 2 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -157.535619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.535619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.535619 (E_RNA) where: Base-Base interactions energy: -107.693 where: short stacking energy: -56.432 Base-Backbone interact. energy: -0.214 local terms energy: -49.628169 where: bonds (distance) C4'-P energy: -13.002 bonds (distance) P-C4' energy: -8.605 flat angles C4'-P-C4' energy: -9.638 flat angles P-C4'-P energy: -3.854 tors. eta vs tors. theta energy: -14.528 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: 8, replica: 5 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -157.008999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.008999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.008999 (E_RNA) where: Base-Base interactions energy: -106.355 where: short stacking energy: -48.390 Base-Backbone interact. energy: -0.109 local terms energy: -50.545852 where: bonds (distance) C4'-P energy: -6.147 bonds (distance) P-C4' energy: -11.839 flat angles C4'-P-C4' energy: -14.188 flat angles P-C4'-P energy: -7.951 tors. eta vs tors. theta energy: -10.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -80.344325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.344325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.344325 (E_RNA) where: Base-Base interactions energy: -30.246 where: short stacking energy: -30.246 Base-Backbone interact. energy: -0.697 local terms energy: -49.401502 where: bonds (distance) C4'-P energy: -14.526 bonds (distance) P-C4' energy: -13.557 flat angles C4'-P-C4' energy: -7.769 flat angles P-C4'-P energy: -7.385 tors. eta vs tors. theta energy: -6.164 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: 3 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -94.367954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.367954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.367954 (E_RNA) where: Base-Base interactions energy: -48.006 where: short stacking energy: -25.374 Base-Backbone interact. energy: 0.987 local terms energy: -47.348393 where: bonds (distance) C4'-P energy: -10.331 bonds (distance) P-C4' energy: -13.258 flat angles C4'-P-C4' energy: -13.926 flat angles P-C4'-P energy: -8.993 tors. eta vs tors. theta energy: -0.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -223.844451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.844451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.844451 (E_RNA) where: Base-Base interactions energy: -156.089 where: short stacking energy: -66.286 Base-Backbone interact. energy: -0.213 local terms energy: -67.542171 where: bonds (distance) C4'-P energy: -13.823 bonds (distance) P-C4' energy: -15.712 flat angles C4'-P-C4' energy: -12.612 flat angles P-C4'-P energy: -8.895 tors. eta vs tors. theta energy: -16.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -199.737970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.737970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.737970 (E_RNA) where: Base-Base interactions energy: -131.870 where: short stacking energy: -55.895 Base-Backbone interact. energy: -0.067 local terms energy: -67.800783 where: bonds (distance) C4'-P energy: -12.514 bonds (distance) P-C4' energy: -17.066 flat angles C4'-P-C4' energy: -14.281 flat angles P-C4'-P energy: -12.824 tors. eta vs tors. theta energy: -11.116 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: 170 Temperature: 1.000000 Total energy: -212.660007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.660007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.660007 (E_RNA) where: Base-Base interactions energy: -153.288 where: short stacking energy: -68.937 Base-Backbone interact. energy: -0.004 local terms energy: -59.367155 where: bonds (distance) C4'-P energy: -11.641 bonds (distance) P-C4' energy: -10.763 flat angles C4'-P-C4' energy: -11.440 flat angles P-C4'-P energy: -7.689 tors. eta vs tors. theta energy: -17.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -218.942040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.942040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.942040 (E_RNA) where: Base-Base interactions energy: -151.708 where: short stacking energy: -70.288 Base-Backbone interact. energy: -0.044 local terms energy: -67.190195 where: bonds (distance) C4'-P energy: -14.432 bonds (distance) P-C4' energy: -15.465 flat angles C4'-P-C4' energy: -15.543 flat angles P-C4'-P energy: -5.848 tors. eta vs tors. theta energy: -15.903 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: 170 Temperature: 1.100000 Total energy: -181.322116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.322116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.322116 (E_RNA) where: Base-Base interactions energy: -119.848 where: short stacking energy: -46.407 Base-Backbone interact. energy: -0.040 local terms energy: -61.434228 where: bonds (distance) C4'-P energy: -14.189 bonds (distance) P-C4' energy: -7.824 flat angles C4'-P-C4' energy: -15.791 flat angles P-C4'-P energy: -10.191 tors. eta vs tors. theta energy: -13.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -177.537065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.537065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.537065 (E_RNA) where: Base-Base interactions energy: -111.633 where: short stacking energy: -52.217 Base-Backbone interact. energy: -0.345 local terms energy: -65.558446 where: bonds (distance) C4'-P energy: -16.117 bonds (distance) P-C4' energy: -15.740 flat angles C4'-P-C4' energy: -9.872 flat angles P-C4'-P energy: -9.632 tors. eta vs tors. theta energy: -14.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -172.100232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.100232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.100232 (E_RNA) where: Base-Base interactions energy: -106.199 where: short stacking energy: -51.291 Base-Backbone interact. energy: -0.011 local terms energy: -65.890784 where: bonds (distance) C4'-P energy: -11.219 bonds (distance) P-C4' energy: -17.287 flat angles C4'-P-C4' energy: -15.711 flat angles P-C4'-P energy: -10.166 tors. eta vs tors. theta energy: -11.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -154.897935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.897935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.897935 (E_RNA) where: Base-Base interactions energy: -107.678 where: short stacking energy: -49.974 Base-Backbone interact. energy: -0.641 local terms energy: -46.579399 where: bonds (distance) C4'-P energy: -7.874 bonds (distance) P-C4' energy: -16.064 flat angles C4'-P-C4' energy: -6.842 flat angles P-C4'-P energy: -7.441 tors. eta vs tors. theta energy: -8.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -76.274824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.274824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.274824 (E_RNA) where: Base-Base interactions energy: -36.294 where: short stacking energy: -36.294 Base-Backbone interact. energy: 0.217 local terms energy: -40.197620 where: bonds (distance) C4'-P energy: -7.007 bonds (distance) P-C4' energy: -11.302 flat angles C4'-P-C4' energy: -12.431 flat angles P-C4'-P energy: -5.942 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: 10, replica: 6 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -81.173904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.173904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.173904 (E_RNA) where: Base-Base interactions energy: -28.201 where: short stacking energy: -17.245 Base-Backbone interact. energy: -0.115 local terms energy: -52.857445 where: bonds (distance) C4'-P energy: -12.446 bonds (distance) P-C4' energy: -12.229 flat angles C4'-P-C4' energy: -15.425 flat angles P-C4'-P energy: -8.869 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: 1, replica: 10 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -213.102906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.102906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.102906 (E_RNA) where: Base-Base interactions energy: -149.180 where: short stacking energy: -66.508 Base-Backbone interact. energy: -0.498 local terms energy: -63.424656 where: bonds (distance) C4'-P energy: -14.812 bonds (distance) P-C4' energy: -12.712 flat angles C4'-P-C4' energy: -12.657 flat angles P-C4'-P energy: -3.568 tors. eta vs tors. theta energy: -19.675 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: 7 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -220.280699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.280699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.280699 (E_RNA) where: Base-Base interactions energy: -149.008 where: short stacking energy: -67.523 Base-Backbone interact. energy: -0.414 local terms energy: -70.858339 where: bonds (distance) C4'-P energy: -12.353 bonds (distance) P-C4' energy: -14.232 flat angles C4'-P-C4' energy: -15.887 flat angles P-C4'-P energy: -8.969 tors. eta vs tors. theta energy: -19.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -197.067863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.067863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.067863 (E_RNA) where: Base-Base interactions energy: -132.259 where: short stacking energy: -49.034 Base-Backbone interact. energy: -0.104 local terms energy: -64.705154 where: bonds (distance) C4'-P energy: -15.028 bonds (distance) P-C4' energy: -12.552 flat angles C4'-P-C4' energy: -14.035 flat angles P-C4'-P energy: -10.873 tors. eta vs tors. theta energy: -12.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -210.402017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.402017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.402017 (E_RNA) where: Base-Base interactions energy: -141.860 where: short stacking energy: -57.290 Base-Backbone interact. energy: -0.057 local terms energy: -68.485550 where: bonds (distance) C4'-P energy: -11.235 bonds (distance) P-C4' energy: -13.023 flat angles C4'-P-C4' energy: -16.484 flat angles P-C4'-P energy: -10.422 tors. eta vs tors. theta energy: -17.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -190.918189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.918189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.918189 (E_RNA) where: Base-Base interactions energy: -132.603 where: short stacking energy: -54.178 Base-Backbone interact. energy: -0.220 local terms energy: -58.094670 where: bonds (distance) C4'-P energy: -9.091 bonds (distance) P-C4' energy: -13.226 flat angles C4'-P-C4' energy: -13.877 flat angles P-C4'-P energy: -9.899 tors. eta vs tors. theta energy: -12.002 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: 6, replica: 5 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -180.128646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.128646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.128646 (E_RNA) where: Base-Base interactions energy: -127.657 where: short stacking energy: -50.661 Base-Backbone interact. energy: -0.133 local terms energy: -52.338849 where: bonds (distance) C4'-P energy: -13.918 bonds (distance) P-C4' energy: -12.563 flat angles C4'-P-C4' energy: -11.354 flat angles P-C4'-P energy: -4.404 tors. eta vs tors. theta energy: -10.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -178.552622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.552622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.552622 (E_RNA) where: Base-Base interactions energy: -121.403 where: short stacking energy: -51.185 Base-Backbone interact. energy: -0.249 local terms energy: -56.900929 where: bonds (distance) C4'-P energy: -12.068 bonds (distance) P-C4' energy: -12.977 flat angles C4'-P-C4' energy: -11.330 flat angles P-C4'-P energy: -11.283 tors. eta vs tors. theta energy: -9.243 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: 2 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -153.710726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.710726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.710726 (E_RNA) where: Base-Base interactions energy: -103.039 where: short stacking energy: -49.704 Base-Backbone interact. energy: -0.152 local terms energy: -50.519622 where: bonds (distance) C4'-P energy: -12.564 bonds (distance) P-C4' energy: -12.659 flat angles C4'-P-C4' energy: -12.890 flat angles P-C4'-P energy: -1.062 tors. eta vs tors. theta energy: -11.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -80.885466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.885466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.885466 (E_RNA) where: Base-Base interactions energy: -38.016 where: short stacking energy: -38.016 Base-Backbone interact. energy: -0.154 local terms energy: -42.714649 where: bonds (distance) C4'-P energy: -10.080 bonds (distance) P-C4' energy: -14.360 flat angles C4'-P-C4' energy: -7.964 flat angles P-C4'-P energy: -4.637 tors. eta vs tors. theta energy: -5.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -73.835420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.835420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.835420 (E_RNA) where: Base-Base interactions energy: -26.781 where: short stacking energy: -10.603 Base-Backbone interact. energy: -0.574 local terms energy: -46.480722 where: bonds (distance) C4'-P energy: -14.609 bonds (distance) P-C4' energy: -16.898 flat angles C4'-P-C4' energy: -10.754 flat angles P-C4'-P energy: -6.705 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: 7 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -227.052184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.052184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.052184 (E_RNA) where: Base-Base interactions energy: -159.825 where: short stacking energy: -69.672 Base-Backbone interact. energy: -0.003 local terms energy: -67.224208 where: bonds (distance) C4'-P energy: -16.266 bonds (distance) P-C4' energy: -13.210 flat angles C4'-P-C4' energy: -13.078 flat angles P-C4'-P energy: -7.537 tors. eta vs tors. theta energy: -17.134 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: 10 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -208.127652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.127652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.127652 (E_RNA) where: Base-Base interactions energy: -143.084 where: short stacking energy: -58.879 Base-Backbone interact. energy: -0.045 local terms energy: -64.998694 where: bonds (distance) C4'-P energy: -13.321 bonds (distance) P-C4' energy: -12.990 flat angles C4'-P-C4' energy: -15.044 flat angles P-C4'-P energy: -9.101 tors. eta vs tors. theta energy: -14.543 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: 1 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -207.085462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.085462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.085462 (E_RNA) where: Base-Base interactions energy: -134.948 where: short stacking energy: -63.568 Base-Backbone interact. energy: -0.030 local terms energy: -72.107610 where: bonds (distance) C4'-P energy: -15.142 bonds (distance) P-C4' energy: -15.784 flat angles C4'-P-C4' energy: -15.795 flat angles P-C4'-P energy: -8.381 tors. eta vs tors. theta energy: -17.006 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: 8 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -198.508845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.508845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.508845 (E_RNA) where: Base-Base interactions energy: -137.738 where: short stacking energy: -55.360 Base-Backbone interact. energy: -0.108 local terms energy: -60.662823 where: bonds (distance) C4'-P energy: -14.747 bonds (distance) P-C4' energy: -11.805 flat angles C4'-P-C4' energy: -13.924 flat angles P-C4'-P energy: -9.496 tors. eta vs tors. theta energy: -10.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -185.069687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.069687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.069687 (E_RNA) where: Base-Base interactions energy: -132.338 where: short stacking energy: -55.479 Base-Backbone interact. energy: -0.019 local terms energy: -52.713092 where: bonds (distance) C4'-P energy: -13.745 bonds (distance) P-C4' energy: -13.256 flat angles C4'-P-C4' energy: -10.843 flat angles P-C4'-P energy: -5.887 tors. eta vs tors. theta energy: -8.982 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: 9 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -188.328732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.328732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.328732 (E_RNA) where: Base-Base interactions energy: -131.746 where: short stacking energy: -46.421 Base-Backbone interact. energy: -0.064 local terms energy: -56.518099 where: bonds (distance) C4'-P energy: -9.960 bonds (distance) P-C4' energy: -13.281 flat angles C4'-P-C4' energy: -13.074 flat angles P-C4'-P energy: -9.547 tors. eta vs tors. theta energy: -10.656 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: 2 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -155.444020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.444020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.444020 (E_RNA) where: Base-Base interactions energy: -98.740 where: short stacking energy: -49.954 Base-Backbone interact. energy: -0.139 local terms energy: -56.564785 where: bonds (distance) C4'-P energy: -11.211 bonds (distance) P-C4' energy: -15.631 flat angles C4'-P-C4' energy: -9.574 flat angles P-C4'-P energy: -8.414 tors. eta vs tors. theta energy: -11.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -169.769174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.769174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.769174 (E_RNA) where: Base-Base interactions energy: -109.070 where: short stacking energy: -46.286 Base-Backbone interact. energy: -0.691 local terms energy: -60.008238 where: bonds (distance) C4'-P energy: -10.138 bonds (distance) P-C4' energy: -15.741 flat angles C4'-P-C4' energy: -12.089 flat angles P-C4'-P energy: -11.851 tors. eta vs tors. theta energy: -10.190 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: 3 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -79.342626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.342626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.342626 (E_RNA) where: Base-Base interactions energy: -35.086 where: short stacking energy: -24.174 Base-Backbone interact. energy: -0.052 local terms energy: -44.204444 where: bonds (distance) C4'-P energy: -9.665 bonds (distance) P-C4' energy: -12.008 flat angles C4'-P-C4' energy: -13.538 flat angles P-C4'-P energy: -6.660 tors. eta vs tors. theta energy: -2.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -87.738545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.738545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.738545 (E_RNA) where: Base-Base interactions energy: -37.151 where: short stacking energy: -33.907 Base-Backbone interact. energy: -0.160 local terms energy: -50.427500 where: bonds (distance) C4'-P energy: -13.177 bonds (distance) P-C4' energy: -13.712 flat angles C4'-P-C4' energy: -11.506 flat angles P-C4'-P energy: -8.790 tors. eta vs tors. theta energy: -3.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -224.988853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.988853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.988853 (E_RNA) where: Base-Base interactions energy: -154.424 where: short stacking energy: -69.670 Base-Backbone interact. energy: -0.989 local terms energy: -69.575120 where: bonds (distance) C4'-P energy: -15.540 bonds (distance) P-C4' energy: -11.889 flat angles C4'-P-C4' energy: -13.227 flat angles P-C4'-P energy: -11.561 tors. eta vs tors. theta energy: -17.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -216.591478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.591478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.591478 (E_RNA) where: Base-Base interactions energy: -151.565 where: short stacking energy: -58.833 Base-Backbone interact. energy: -0.274 local terms energy: -64.752687 where: bonds (distance) C4'-P energy: -12.693 bonds (distance) P-C4' energy: -10.936 flat angles C4'-P-C4' energy: -11.261 flat angles P-C4'-P energy: -11.994 tors. eta vs tors. theta energy: -17.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -205.617259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.617259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.617259 (E_RNA) where: Base-Base interactions energy: -140.623 where: short stacking energy: -68.390 Base-Backbone interact. energy: -0.547 local terms energy: -64.448038 where: bonds (distance) C4'-P energy: -10.680 bonds (distance) P-C4' energy: -11.232 flat angles C4'-P-C4' energy: -15.657 flat angles P-C4'-P energy: -10.320 tors. eta vs tors. theta energy: -16.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -192.869871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.869871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.869871 (E_RNA) where: Base-Base interactions energy: -130.801 where: short stacking energy: -59.280 Base-Backbone interact. energy: -0.155 local terms energy: -61.913450 where: bonds (distance) C4'-P energy: -13.019 bonds (distance) P-C4' energy: -13.364 flat angles C4'-P-C4' energy: -14.391 flat angles P-C4'-P energy: -8.553 tors. eta vs tors. theta energy: -12.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -192.606231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.606231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.606231 (E_RNA) where: Base-Base interactions energy: -134.871 where: short stacking energy: -51.702 Base-Backbone interact. energy: -0.062 local terms energy: -57.673416 where: bonds (distance) C4'-P energy: -15.209 bonds (distance) P-C4' energy: -11.224 flat angles C4'-P-C4' energy: -14.227 flat angles P-C4'-P energy: -4.993 tors. eta vs tors. theta energy: -12.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -179.656634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.656634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.656634 (E_RNA) where: Base-Base interactions energy: -125.319 where: short stacking energy: -51.658 Base-Backbone interact. energy: -0.503 local terms energy: -53.834781 where: bonds (distance) C4'-P energy: -14.039 bonds (distance) P-C4' energy: -13.338 flat angles C4'-P-C4' energy: -13.054 flat angles P-C4'-P energy: -3.075 tors. eta vs tors. theta energy: -10.328 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: 2 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -181.436850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.436850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.436850 (E_RNA) where: Base-Base interactions energy: -118.798 where: short stacking energy: -54.981 Base-Backbone interact. energy: -0.007 local terms energy: -62.631741 where: bonds (distance) C4'-P energy: -15.682 bonds (distance) P-C4' energy: -11.193 flat angles C4'-P-C4' energy: -11.424 flat angles P-C4'-P energy: -8.142 tors. eta vs tors. theta energy: -16.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -147.275270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.275270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.275270 (E_RNA) where: Base-Base interactions energy: -101.017 where: short stacking energy: -33.487 Base-Backbone interact. energy: 0.012 local terms energy: -46.270582 where: bonds (distance) C4'-P energy: -14.072 bonds (distance) P-C4' energy: -12.142 flat angles C4'-P-C4' energy: -9.274 flat angles P-C4'-P energy: -9.529 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: 9, replica: 3 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -86.130371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.130371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.130371 (E_RNA) where: Base-Base interactions energy: -38.441 where: short stacking energy: -35.393 Base-Backbone interact. energy: -0.843 local terms energy: -46.845942 where: bonds (distance) C4'-P energy: -13.372 bonds (distance) P-C4' energy: -10.580 flat angles C4'-P-C4' energy: -9.521 flat angles P-C4'-P energy: -7.533 tors. eta vs tors. theta energy: -5.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -117.973283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.973283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.973283 (E_RNA) where: Base-Base interactions energy: -74.608 where: short stacking energy: -27.214 Base-Backbone interact. energy: -0.232 local terms energy: -43.132491 where: bonds (distance) C4'-P energy: -4.388 bonds (distance) P-C4' energy: -13.251 flat angles C4'-P-C4' energy: -13.815 flat angles P-C4'-P energy: -4.615 tors. eta vs tors. theta energy: -7.063 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: 7 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -225.995530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.995530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.995530 (E_RNA) where: Base-Base interactions energy: -151.479 where: short stacking energy: -65.181 Base-Backbone interact. energy: 0.215 local terms energy: -74.731214 where: bonds (distance) C4'-P energy: -13.302 bonds (distance) P-C4' energy: -15.419 flat angles C4'-P-C4' energy: -14.604 flat angles P-C4'-P energy: -12.526 tors. eta vs tors. theta energy: -18.879 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: 1 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -217.755758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.755758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.755758 (E_RNA) where: Base-Base interactions energy: -148.937 where: short stacking energy: -63.985 Base-Backbone interact. energy: -0.676 local terms energy: -68.142231 where: bonds (distance) C4'-P energy: -16.009 bonds (distance) P-C4' energy: -14.219 flat angles C4'-P-C4' energy: -11.240 flat angles P-C4'-P energy: -9.334 tors. eta vs tors. theta energy: -17.340 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: 10 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -203.960970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.960970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.960970 (E_RNA) where: Base-Base interactions energy: -134.818 where: short stacking energy: -59.474 Base-Backbone interact. energy: -1.085 local terms energy: -68.058690 where: bonds (distance) C4'-P energy: -14.229 bonds (distance) P-C4' energy: -16.762 flat angles C4'-P-C4' energy: -12.945 flat angles P-C4'-P energy: -11.303 tors. eta vs tors. theta energy: -12.820 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: 174 Temperature: 1.050000 Total energy: -189.916438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.916438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.916438 (E_RNA) where: Base-Base interactions energy: -129.141 where: short stacking energy: -56.490 Base-Backbone interact. energy: -0.085 local terms energy: -60.690725 where: bonds (distance) C4'-P energy: -14.811 bonds (distance) P-C4' energy: -15.268 flat angles C4'-P-C4' energy: -14.850 flat angles P-C4'-P energy: -3.347 tors. eta vs tors. theta energy: -12.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -185.405598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.405598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.405598 (E_RNA) where: Base-Base interactions energy: -130.164 where: short stacking energy: -54.362 Base-Backbone interact. energy: -0.065 local terms energy: -55.176023 where: bonds (distance) C4'-P energy: -10.680 bonds (distance) P-C4' energy: -12.380 flat angles C4'-P-C4' energy: -14.913 flat angles P-C4'-P energy: -6.042 tors. eta vs tors. theta energy: -11.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -188.964821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.964821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.964821 (E_RNA) where: Base-Base interactions energy: -128.211 where: short stacking energy: -60.943 Base-Backbone interact. energy: -0.012 local terms energy: -60.742752 where: bonds (distance) C4'-P energy: -11.091 bonds (distance) P-C4' energy: -13.582 flat angles C4'-P-C4' energy: -13.299 flat angles P-C4'-P energy: -6.968 tors. eta vs tors. theta energy: -15.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -168.207521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.207521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.207521 (E_RNA) where: Base-Base interactions energy: -103.451 where: short stacking energy: -51.250 Base-Backbone interact. energy: -0.001 local terms energy: -64.754996 where: bonds (distance) C4'-P energy: -11.586 bonds (distance) P-C4' energy: -15.812 flat angles C4'-P-C4' energy: -13.599 flat angles P-C4'-P energy: -8.958 tors. eta vs tors. theta energy: -14.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -159.664784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.664784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.664784 (E_RNA) where: Base-Base interactions energy: -102.700 where: short stacking energy: -34.417 Base-Backbone interact. energy: -0.645 local terms energy: -56.318893 where: bonds (distance) C4'-P energy: -12.062 bonds (distance) P-C4' energy: -12.017 flat angles C4'-P-C4' energy: -13.503 flat angles P-C4'-P energy: -7.329 tors. eta vs tors. theta energy: -11.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -122.238994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.238994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.238994 (E_RNA) where: Base-Base interactions energy: -77.059 where: short stacking energy: -39.192 Base-Backbone interact. energy: -0.687 local terms energy: -44.492703 where: bonds (distance) C4'-P energy: -9.901 bonds (distance) P-C4' energy: -11.979 flat angles C4'-P-C4' energy: -9.638 flat angles P-C4'-P energy: -9.984 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: 174 Temperature: 1.350000 Total energy: -76.198020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.198020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.198020 (E_RNA) where: Base-Base interactions energy: -23.888 where: short stacking energy: -21.213 Base-Backbone interact. energy: -0.104 local terms energy: -52.205752 where: bonds (distance) C4'-P energy: -13.805 bonds (distance) P-C4' energy: -14.557 flat angles C4'-P-C4' energy: -13.514 flat angles P-C4'-P energy: -5.979 tors. eta vs tors. theta energy: -4.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -223.251756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.251756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.251756 (E_RNA) where: Base-Base interactions energy: -153.767 where: short stacking energy: -66.312 Base-Backbone interact. energy: -0.002 local terms energy: -69.482396 where: bonds (distance) C4'-P energy: -10.406 bonds (distance) P-C4' energy: -15.998 flat angles C4'-P-C4' energy: -15.164 flat angles P-C4'-P energy: -11.297 tors. eta vs tors. theta energy: -16.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -216.805146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.805146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.805146 (E_RNA) where: Base-Base interactions energy: -148.738 where: short stacking energy: -70.433 Base-Backbone interact. energy: -0.391 local terms energy: -67.676074 where: bonds (distance) C4'-P energy: -14.249 bonds (distance) P-C4' energy: -14.366 flat angles C4'-P-C4' energy: -13.673 flat angles P-C4'-P energy: -9.852 tors. eta vs tors. theta energy: -15.535 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: 1 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -219.352799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.352799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.352799 (E_RNA) where: Base-Base interactions energy: -148.462 where: short stacking energy: -66.288 Base-Backbone interact. energy: -0.002 local terms energy: -70.889387 where: bonds (distance) C4'-P energy: -16.936 bonds (distance) P-C4' energy: -10.010 flat angles C4'-P-C4' energy: -15.324 flat angles P-C4'-P energy: -11.409 tors. eta vs tors. theta energy: -17.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -187.761216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.761216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.761216 (E_RNA) where: Base-Base interactions energy: -132.319 where: short stacking energy: -48.655 Base-Backbone interact. energy: -0.134 local terms energy: -55.307577 where: bonds (distance) C4'-P energy: -14.953 bonds (distance) P-C4' energy: -9.364 flat angles C4'-P-C4' energy: -11.569 flat angles P-C4'-P energy: -7.458 tors. eta vs tors. theta energy: -11.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -186.084083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.084083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.084083 (E_RNA) where: Base-Base interactions energy: -131.139 where: short stacking energy: -57.176 Base-Backbone interact. energy: 1.210 local terms energy: -56.155092 where: bonds (distance) C4'-P energy: -11.523 bonds (distance) P-C4' energy: -13.352 flat angles C4'-P-C4' energy: -13.438 flat angles P-C4'-P energy: -4.330 tors. eta vs tors. theta energy: -13.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -178.768955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.768955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.768955 (E_RNA) where: Base-Base interactions energy: -117.812 where: short stacking energy: -55.988 Base-Backbone interact. energy: -0.102 local terms energy: -60.855195 where: bonds (distance) C4'-P energy: -14.667 bonds (distance) P-C4' energy: -10.487 flat angles C4'-P-C4' energy: -14.170 flat angles P-C4'-P energy: -3.696 tors. eta vs tors. theta energy: -17.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -181.274697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.274697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.274697 (E_RNA) where: Base-Base interactions energy: -117.234 where: short stacking energy: -54.825 Base-Backbone interact. energy: -0.091 local terms energy: -63.949754 where: bonds (distance) C4'-P energy: -15.818 bonds (distance) P-C4' energy: -12.554 flat angles C4'-P-C4' energy: -13.952 flat angles P-C4'-P energy: -10.167 tors. eta vs tors. theta energy: -11.458 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: 6 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -154.393081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.393081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.393081 (E_RNA) where: Base-Base interactions energy: -93.312 where: short stacking energy: -44.891 Base-Backbone interact. energy: -0.026 local terms energy: -61.055519 where: bonds (distance) C4'-P energy: -16.918 bonds (distance) P-C4' energy: -15.938 flat angles C4'-P-C4' energy: -10.432 flat angles P-C4'-P energy: -6.199 tors. eta vs tors. theta energy: -11.568 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: 4 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -132.910360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.910360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.910360 (E_RNA) where: Base-Base interactions energy: -89.395 where: short stacking energy: -37.198 Base-Backbone interact. energy: -0.089 local terms energy: -43.426684 where: bonds (distance) C4'-P energy: -10.236 bonds (distance) P-C4' energy: -11.920 flat angles C4'-P-C4' energy: -8.608 flat angles P-C4'-P energy: -5.994 tors. eta vs tors. theta energy: -6.668 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: 3 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -75.403646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.403646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.403646 (E_RNA) where: Base-Base interactions energy: -36.369 where: short stacking energy: -26.018 Base-Backbone interact. energy: -0.221 local terms energy: -38.813377 where: bonds (distance) C4'-P energy: -10.863 bonds (distance) P-C4' energy: -12.130 flat angles C4'-P-C4' energy: -11.018 flat angles P-C4'-P energy: -2.945 tors. eta vs tors. theta energy: -1.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -217.610984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.610984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.610984 (E_RNA) where: Base-Base interactions energy: -143.188 where: short stacking energy: -67.976 Base-Backbone interact. energy: -0.196 local terms energy: -74.226917 where: bonds (distance) C4'-P energy: -15.388 bonds (distance) P-C4' energy: -16.504 flat angles C4'-P-C4' energy: -14.954 flat angles P-C4'-P energy: -11.301 tors. eta vs tors. theta energy: -16.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -217.012882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.012882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.012882 (E_RNA) where: Base-Base interactions energy: -156.953 where: short stacking energy: -67.454 Base-Backbone interact. energy: -0.597 local terms energy: -59.463344 where: bonds (distance) C4'-P energy: -10.081 bonds (distance) P-C4' energy: -13.205 flat angles C4'-P-C4' energy: -12.571 flat angles P-C4'-P energy: -6.265 tors. eta vs tors. theta energy: -17.341 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: 1 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -215.869266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.869266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.869266 (E_RNA) where: Base-Base interactions energy: -149.084 where: short stacking energy: -65.076 Base-Backbone interact. energy: -0.010 local terms energy: -66.775396 where: bonds (distance) C4'-P energy: -12.840 bonds (distance) P-C4' energy: -14.622 flat angles C4'-P-C4' energy: -16.510 flat angles P-C4'-P energy: -7.074 tors. eta vs tors. theta energy: -15.728 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: 8 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -195.404006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.404006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.404006 (E_RNA) where: Base-Base interactions energy: -126.138 where: short stacking energy: -51.155 Base-Backbone interact. energy: -1.279 local terms energy: -67.986999 where: bonds (distance) C4'-P energy: -13.951 bonds (distance) P-C4' energy: -15.019 flat angles C4'-P-C4' energy: -14.741 flat angles P-C4'-P energy: -9.707 tors. eta vs tors. theta energy: -14.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -185.616235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.616235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.616235 (E_RNA) where: Base-Base interactions energy: -121.953 where: short stacking energy: -49.255 Base-Backbone interact. energy: -0.115 local terms energy: -63.548684 where: bonds (distance) C4'-P energy: -14.518 bonds (distance) P-C4' energy: -14.581 flat angles C4'-P-C4' energy: -15.345 flat angles P-C4'-P energy: -6.792 tors. eta vs tors. theta energy: -12.313 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: 176 Temperature: 1.150000 Total energy: -165.608284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.608284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.608284 (E_RNA) where: Base-Base interactions energy: -106.438 where: short stacking energy: -48.944 Base-Backbone interact. energy: -0.186 local terms energy: -58.984981 where: bonds (distance) C4'-P energy: -15.371 bonds (distance) P-C4' energy: -11.743 flat angles C4'-P-C4' energy: -10.439 flat angles P-C4'-P energy: -7.857 tors. eta vs tors. theta energy: -13.575 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: 9 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -182.516200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.516200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.516200 (E_RNA) where: Base-Base interactions energy: -115.561 where: short stacking energy: -63.475 Base-Backbone interact. energy: -0.067 local terms energy: -66.888414 where: bonds (distance) C4'-P energy: -13.743 bonds (distance) P-C4' energy: -12.260 flat angles C4'-P-C4' energy: -13.985 flat angles P-C4'-P energy: -9.705 tors. eta vs tors. theta energy: -17.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -154.214892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.214892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.214892 (E_RNA) where: Base-Base interactions energy: -101.892 where: short stacking energy: -47.349 Base-Backbone interact. energy: -0.112 local terms energy: -52.211072 where: bonds (distance) C4'-P energy: -12.958 bonds (distance) P-C4' energy: -8.737 flat angles C4'-P-C4' energy: -12.959 flat angles P-C4'-P energy: -7.417 tors. eta vs tors. theta energy: -10.141 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: 3 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -86.924152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.924152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.924152 (E_RNA) where: Base-Base interactions energy: -33.387 where: short stacking energy: -34.477 Base-Backbone interact. energy: 0.065 local terms energy: -53.602075 where: bonds (distance) C4'-P energy: -14.112 bonds (distance) P-C4' energy: -11.548 flat angles C4'-P-C4' energy: -9.741 flat angles P-C4'-P energy: -10.095 tors. eta vs tors. theta energy: -8.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -74.481794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.481794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.481794 (E_RNA) where: Base-Base interactions energy: -21.859 where: short stacking energy: -22.059 Base-Backbone interact. energy: 0.230 local terms energy: -52.852348 where: bonds (distance) C4'-P energy: -11.032 bonds (distance) P-C4' energy: -14.161 flat angles C4'-P-C4' energy: -14.678 flat angles P-C4'-P energy: -8.299 tors. eta vs tors. theta energy: -4.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -219.686346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.686346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.686346 (E_RNA) where: Base-Base interactions energy: -148.141 where: short stacking energy: -64.859 Base-Backbone interact. energy: -0.006 local terms energy: -71.538934 where: bonds (distance) C4'-P energy: -15.910 bonds (distance) P-C4' energy: -16.672 flat angles C4'-P-C4' energy: -15.072 flat angles P-C4'-P energy: -9.497 tors. eta vs tors. theta energy: -14.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -218.530183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.530183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.530183 (E_RNA) where: Base-Base interactions energy: -145.815 where: short stacking energy: -61.762 Base-Backbone interact. energy: -0.003 local terms energy: -72.711337 where: bonds (distance) C4'-P energy: -12.893 bonds (distance) P-C4' energy: -14.536 flat angles C4'-P-C4' energy: -16.780 flat angles P-C4'-P energy: -11.280 tors. eta vs tors. theta energy: -17.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -213.076922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.076922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.076922 (E_RNA) where: Base-Base interactions energy: -145.929 where: short stacking energy: -62.503 Base-Backbone interact. energy: -0.193 local terms energy: -66.955517 where: bonds (distance) C4'-P energy: -10.879 bonds (distance) P-C4' energy: -15.191 flat angles C4'-P-C4' energy: -11.321 flat angles P-C4'-P energy: -10.933 tors. eta vs tors. theta energy: -18.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -185.185231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.185231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.185231 (E_RNA) where: Base-Base interactions energy: -123.545 where: short stacking energy: -52.231 Base-Backbone interact. energy: -0.176 local terms energy: -61.463833 where: bonds (distance) C4'-P energy: -9.381 bonds (distance) P-C4' energy: -14.744 flat angles C4'-P-C4' energy: -13.276 flat angles P-C4'-P energy: -10.608 tors. eta vs tors. theta energy: -13.455 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: 8 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -178.791945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.791945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.791945 (E_RNA) where: Base-Base interactions energy: -124.271 where: short stacking energy: -39.544 Base-Backbone interact. energy: 0.648 local terms energy: -55.169871 where: bonds (distance) C4'-P energy: -10.373 bonds (distance) P-C4' energy: -13.875 flat angles C4'-P-C4' energy: -11.291 flat angles P-C4'-P energy: -6.853 tors. eta vs tors. theta energy: -12.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -168.948868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.948868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.948868 (E_RNA) where: Base-Base interactions energy: -111.663 where: short stacking energy: -54.754 Base-Backbone interact. energy: -0.117 local terms energy: -57.168583 where: bonds (distance) C4'-P energy: -12.294 bonds (distance) P-C4' energy: -11.791 flat angles C4'-P-C4' energy: -13.464 flat angles P-C4'-P energy: -10.321 tors. eta vs tors. theta energy: -9.299 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: 2 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -165.065653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.065653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.065653 (E_RNA) where: Base-Base interactions energy: -105.949 where: short stacking energy: -48.035 Base-Backbone interact. energy: -0.069 local terms energy: -59.047799 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -12.779 flat angles C4'-P-C4' energy: -15.259 flat angles P-C4'-P energy: -10.893 tors. eta vs tors. theta energy: -12.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -129.363880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.363880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.363880 (E_RNA) where: Base-Base interactions energy: -82.896 where: short stacking energy: -36.106 Base-Backbone interact. energy: -0.270 local terms energy: -46.198131 where: bonds (distance) C4'-P energy: -10.639 bonds (distance) P-C4' energy: -14.649 flat angles C4'-P-C4' energy: -10.768 flat angles P-C4'-P energy: -5.511 tors. eta vs tors. theta energy: -4.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -75.372119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.372119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.372119 (E_RNA) where: Base-Base interactions energy: -33.094 where: short stacking energy: -33.094 Base-Backbone interact. energy: -0.067 local terms energy: -42.211889 where: bonds (distance) C4'-P energy: -9.488 bonds (distance) P-C4' energy: -10.059 flat angles C4'-P-C4' energy: -10.027 flat angles P-C4'-P energy: -8.300 tors. eta vs tors. theta energy: -4.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -77.879133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.879133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.879133 (E_RNA) where: Base-Base interactions energy: -26.817 where: short stacking energy: -25.059 Base-Backbone interact. energy: -0.217 local terms energy: -50.845279 where: bonds (distance) C4'-P energy: -15.114 bonds (distance) P-C4' energy: -13.565 flat angles C4'-P-C4' energy: -9.927 flat angles P-C4'-P energy: -8.867 tors. eta vs tors. theta energy: -3.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -216.131519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.131519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.131519 (E_RNA) where: Base-Base interactions energy: -150.539 where: short stacking energy: -69.911 Base-Backbone interact. energy: -0.218 local terms energy: -65.374542 where: bonds (distance) C4'-P energy: -12.207 bonds (distance) P-C4' energy: -14.377 flat angles C4'-P-C4' energy: -9.864 flat angles P-C4'-P energy: -10.612 tors. eta vs tors. theta energy: -18.315 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: 10 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -214.189161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.189161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.189161 (E_RNA) where: Base-Base interactions energy: -149.505 where: short stacking energy: -68.818 Base-Backbone interact. energy: -0.008 local terms energy: -64.676024 where: bonds (distance) C4'-P energy: -13.392 bonds (distance) P-C4' energy: -14.433 flat angles C4'-P-C4' energy: -11.415 flat angles P-C4'-P energy: -8.855 tors. eta vs tors. theta energy: -16.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -216.074912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.074912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.074912 (E_RNA) where: Base-Base interactions energy: -146.124 where: short stacking energy: -60.731 Base-Backbone interact. energy: -0.284 local terms energy: -69.666806 where: bonds (distance) C4'-P energy: -16.845 bonds (distance) P-C4' energy: -10.026 flat angles C4'-P-C4' energy: -13.561 flat angles P-C4'-P energy: -10.256 tors. eta vs tors. theta energy: -18.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -181.940534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.940534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.940534 (E_RNA) where: Base-Base interactions energy: -120.122 where: short stacking energy: -57.293 Base-Backbone interact. energy: -0.015 local terms energy: -61.803738 where: bonds (distance) C4'-P energy: -14.659 bonds (distance) P-C4' energy: -12.692 flat angles C4'-P-C4' energy: -15.137 flat angles P-C4'-P energy: -7.225 tors. eta vs tors. theta energy: -12.092 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: 8 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -198.545286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.545286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.545286 (E_RNA) where: Base-Base interactions energy: -135.123 where: short stacking energy: -54.875 Base-Backbone interact. energy: -0.294 local terms energy: -63.128619 where: bonds (distance) C4'-P energy: -13.610 bonds (distance) P-C4' energy: -13.745 flat angles C4'-P-C4' energy: -14.261 flat angles P-C4'-P energy: -9.905 tors. eta vs tors. theta energy: -11.608 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: 9 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -169.066157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.066157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.066157 (E_RNA) where: Base-Base interactions energy: -106.769 where: short stacking energy: -46.930 Base-Backbone interact. energy: -0.502 local terms energy: -61.795501 where: bonds (distance) C4'-P energy: -12.208 bonds (distance) P-C4' energy: -12.827 flat angles C4'-P-C4' energy: -16.055 flat angles P-C4'-P energy: -8.810 tors. eta vs tors. theta energy: -11.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -177.300609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.300609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.300609 (E_RNA) where: Base-Base interactions energy: -117.037 where: short stacking energy: -59.739 Base-Backbone interact. energy: -0.014 local terms energy: -60.249793 where: bonds (distance) C4'-P energy: -8.192 bonds (distance) P-C4' energy: -14.839 flat angles C4'-P-C4' energy: -15.089 flat angles P-C4'-P energy: -4.951 tors. eta vs tors. theta energy: -17.179 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: 178 Temperature: 1.250000 Total energy: -131.744561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.744561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.744561 (E_RNA) where: Base-Base interactions energy: -85.671 where: short stacking energy: -34.246 Base-Backbone interact. energy: -0.331 local terms energy: -45.742604 where: bonds (distance) C4'-P energy: -13.098 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -15.503 flat angles P-C4'-P energy: -6.299 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: 9, replica: 4 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -109.054617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.054617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.054617 (E_RNA) where: Base-Base interactions energy: -67.718 where: short stacking energy: -41.997 Base-Backbone interact. energy: -0.017 local terms energy: -41.319094 where: bonds (distance) C4'-P energy: -11.206 bonds (distance) P-C4' energy: -15.771 flat angles C4'-P-C4' energy: -7.940 flat angles P-C4'-P energy: -5.726 tors. eta vs tors. theta energy: -0.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -71.180351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.180351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.180351 (E_RNA) where: Base-Base interactions energy: -20.153 where: short stacking energy: -10.498 Base-Backbone interact. energy: -0.110 local terms energy: -50.917234 where: bonds (distance) C4'-P energy: -14.758 bonds (distance) P-C4' energy: -16.146 flat angles C4'-P-C4' energy: -9.327 flat angles P-C4'-P energy: -8.349 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: 1, replica: 1 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -227.494692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.494692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.494692 (E_RNA) where: Base-Base interactions energy: -154.248 where: short stacking energy: -67.765 Base-Backbone interact. energy: -0.001 local terms energy: -73.245225 where: bonds (distance) C4'-P energy: -14.140 bonds (distance) P-C4' energy: -18.236 flat angles C4'-P-C4' energy: -14.358 flat angles P-C4'-P energy: -10.117 tors. eta vs tors. theta energy: -16.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -218.515221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.515221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.515221 (E_RNA) where: Base-Base interactions energy: -153.615 where: short stacking energy: -67.043 Base-Backbone interact. energy: -0.717 local terms energy: -64.183402 where: bonds (distance) C4'-P energy: -10.253 bonds (distance) P-C4' energy: -11.382 flat angles C4'-P-C4' energy: -16.116 flat angles P-C4'-P energy: -8.158 tors. eta vs tors. theta energy: -18.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -217.968817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.968817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.968817 (E_RNA) where: Base-Base interactions energy: -156.686 where: short stacking energy: -64.597 Base-Backbone interact. energy: -0.101 local terms energy: -61.181277 where: bonds (distance) C4'-P energy: -11.161 bonds (distance) P-C4' energy: -10.384 flat angles C4'-P-C4' energy: -14.808 flat angles P-C4'-P energy: -8.216 tors. eta vs tors. theta energy: -16.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -184.437619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.437619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.437619 (E_RNA) where: Base-Base interactions energy: -124.905 where: short stacking energy: -50.963 Base-Backbone interact. energy: -0.207 local terms energy: -59.326008 where: bonds (distance) C4'-P energy: -15.172 bonds (distance) P-C4' energy: -13.850 flat angles C4'-P-C4' energy: -12.825 flat angles P-C4'-P energy: -5.549 tors. eta vs tors. theta energy: -11.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -173.928958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.928958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.928958 (E_RNA) where: Base-Base interactions energy: -124.232 where: short stacking energy: -52.894 Base-Backbone interact. energy: -0.166 local terms energy: -49.531067 where: bonds (distance) C4'-P energy: -8.663 bonds (distance) P-C4' energy: -10.670 flat angles C4'-P-C4' energy: -10.445 flat angles P-C4'-P energy: -4.943 tors. eta vs tors. theta energy: -14.810 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: 2 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -188.978669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.978669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.978669 (E_RNA) where: Base-Base interactions energy: -128.487 where: short stacking energy: -59.877 Base-Backbone interact. energy: -0.023 local terms energy: -60.468638 where: bonds (distance) C4'-P energy: -13.939 bonds (distance) P-C4' energy: -13.881 flat angles C4'-P-C4' energy: -14.774 flat angles P-C4'-P energy: -8.029 tors. eta vs tors. theta energy: -9.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -166.657391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.657391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.657391 (E_RNA) where: Base-Base interactions energy: -102.920 where: short stacking energy: -45.561 Base-Backbone interact. energy: -0.132 local terms energy: -63.605117 where: bonds (distance) C4'-P energy: -12.468 bonds (distance) P-C4' energy: -17.048 flat angles C4'-P-C4' energy: -15.820 flat angles P-C4'-P energy: -5.071 tors. eta vs tors. theta energy: -13.198 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: 4 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -104.182505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.182505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.182505 (E_RNA) where: Base-Base interactions energy: -59.803 where: short stacking energy: -46.710 Base-Backbone interact. energy: 1.663 local terms energy: -46.043035 where: bonds (distance) C4'-P energy: -11.662 bonds (distance) P-C4' energy: -13.015 flat angles C4'-P-C4' energy: -11.270 flat angles P-C4'-P energy: -4.220 tors. eta vs tors. theta energy: -5.877 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: 179 Temperature: 1.300000 Total energy: -100.182806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.182806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.182806 (E_RNA) where: Base-Base interactions energy: -53.494 where: short stacking energy: -24.020 Base-Backbone interact. energy: -0.360 local terms energy: -46.328356 where: bonds (distance) C4'-P energy: -10.809 bonds (distance) P-C4' energy: -12.343 flat angles C4'-P-C4' energy: -8.890 flat angles P-C4'-P energy: -10.942 tors. eta vs tors. theta energy: -3.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -82.605449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.605449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.605449 (E_RNA) where: Base-Base interactions energy: -34.351 where: short stacking energy: -24.028 Base-Backbone interact. energy: -0.159 local terms energy: -48.095607 where: bonds (distance) C4'-P energy: -13.305 bonds (distance) P-C4' energy: -12.110 flat angles C4'-P-C4' energy: -9.334 flat angles P-C4'-P energy: -8.051 tors. eta vs tors. theta energy: -5.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -216.499472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.499472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.499472 (E_RNA) where: Base-Base interactions energy: -150.821 where: short stacking energy: -71.552 Base-Backbone interact. energy: -0.227 local terms energy: -65.451294 where: bonds (distance) C4'-P energy: -11.119 bonds (distance) P-C4' energy: -14.715 flat angles C4'-P-C4' energy: -14.917 flat angles P-C4'-P energy: -6.165 tors. eta vs tors. theta energy: -18.535 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: 1 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -215.693292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.693292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.693292 (E_RNA) where: Base-Base interactions energy: -144.374 where: short stacking energy: -60.635 Base-Backbone interact. energy: -0.110 local terms energy: -71.209624 where: bonds (distance) C4'-P energy: -13.037 bonds (distance) P-C4' energy: -13.787 flat angles C4'-P-C4' energy: -18.073 flat angles P-C4'-P energy: -7.174 tors. eta vs tors. theta energy: -19.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -219.174530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.174530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.174530 (E_RNA) where: Base-Base interactions energy: -145.971 where: short stacking energy: -60.358 Base-Backbone interact. energy: -0.001 local terms energy: -73.202519 where: bonds (distance) C4'-P energy: -14.322 bonds (distance) P-C4' energy: -13.658 flat angles C4'-P-C4' energy: -16.353 flat angles P-C4'-P energy: -10.974 tors. eta vs tors. theta energy: -17.896 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: 4, replica: 8 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -198.056414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.056414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.056414 (E_RNA) where: Base-Base interactions energy: -133.408 where: short stacking energy: -55.482 Base-Backbone interact. energy: -0.325 local terms energy: -64.323635 where: bonds (distance) C4'-P energy: -13.548 bonds (distance) P-C4' energy: -15.047 flat angles C4'-P-C4' energy: -11.580 flat angles P-C4'-P energy: -9.444 tors. eta vs tors. theta energy: -14.705 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: 2 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -176.570624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.570624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.570624 (E_RNA) where: Base-Base interactions energy: -117.932 where: short stacking energy: -50.063 Base-Backbone interact. energy: -0.251 local terms energy: -58.387627 where: bonds (distance) C4'-P energy: -14.812 bonds (distance) P-C4' energy: -9.576 flat angles C4'-P-C4' energy: -15.307 flat angles P-C4'-P energy: -8.091 tors. eta vs tors. theta energy: -10.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -191.093397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.093397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.093397 (E_RNA) where: Base-Base interactions energy: -131.323 where: short stacking energy: -61.474 Base-Backbone interact. energy: -0.370 local terms energy: -59.400737 where: bonds (distance) C4'-P energy: -12.460 bonds (distance) P-C4' energy: -10.348 flat angles C4'-P-C4' energy: -12.820 flat angles P-C4'-P energy: -4.651 tors. eta vs tors. theta energy: -19.122 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: 9 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -173.314630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.314630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.314630 (E_RNA) where: Base-Base interactions energy: -108.376 where: short stacking energy: -52.543 Base-Backbone interact. energy: 0.313 local terms energy: -65.252080 where: bonds (distance) C4'-P energy: -15.859 bonds (distance) P-C4' energy: -15.772 flat angles C4'-P-C4' energy: -13.155 flat angles P-C4'-P energy: -11.103 tors. eta vs tors. theta energy: -9.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -122.249464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.249464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.249464 (E_RNA) where: Base-Base interactions energy: -74.821 where: short stacking energy: -40.607 Base-Backbone interact. energy: 0.263 local terms energy: -47.691192 where: bonds (distance) C4'-P energy: -13.648 bonds (distance) P-C4' energy: -13.472 flat angles C4'-P-C4' energy: -10.887 flat angles P-C4'-P energy: -4.911 tors. eta vs tors. theta energy: -4.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -119.351708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.351708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.351708 (E_RNA) where: Base-Base interactions energy: -66.892 where: short stacking energy: -31.819 Base-Backbone interact. energy: 0.043 local terms energy: -52.502125 where: bonds (distance) C4'-P energy: -11.943 bonds (distance) P-C4' energy: -14.176 flat angles C4'-P-C4' energy: -13.813 flat angles P-C4'-P energy: -11.154 tors. eta vs tors. theta energy: -1.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -76.589157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.589157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.589157 (E_RNA) where: Base-Base interactions energy: -26.826 where: short stacking energy: -26.409 Base-Backbone interact. energy: -0.130 local terms energy: -49.633142 where: bonds (distance) C4'-P energy: -13.860 bonds (distance) P-C4' energy: -9.204 flat angles C4'-P-C4' energy: -14.409 flat angles P-C4'-P energy: -6.311 tors. eta vs tors. theta energy: -5.848 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: 1, replica: 7 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -215.817857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.817857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.817857 (E_RNA) where: Base-Base interactions energy: -140.706 where: short stacking energy: -62.657 Base-Backbone interact. energy: -0.021 local terms energy: -75.091356 where: bonds (distance) C4'-P energy: -14.012 bonds (distance) P-C4' energy: -15.702 flat angles C4'-P-C4' energy: -16.451 flat angles P-C4'-P energy: -13.112 tors. eta vs tors. theta energy: -15.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -213.753186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.753186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.753186 (E_RNA) where: Base-Base interactions energy: -146.870 where: short stacking energy: -63.582 Base-Backbone interact. energy: -0.232 local terms energy: -66.651302 where: bonds (distance) C4'-P energy: -15.537 bonds (distance) P-C4' energy: -13.060 flat angles C4'-P-C4' energy: -15.623 flat angles P-C4'-P energy: -5.261 tors. eta vs tors. theta energy: -17.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -213.419005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.419005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.419005 (E_RNA) where: Base-Base interactions energy: -142.094 where: short stacking energy: -59.903 Base-Backbone interact. energy: -0.261 local terms energy: -71.064372 where: bonds (distance) C4'-P energy: -16.091 bonds (distance) P-C4' energy: -14.930 flat angles C4'-P-C4' energy: -15.119 flat angles P-C4'-P energy: -10.133 tors. eta vs tors. theta energy: -14.791 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: 4, replica: 8 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -193.546986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.546986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.546986 (E_RNA) where: Base-Base interactions energy: -131.488 where: short stacking energy: -54.150 Base-Backbone interact. energy: -0.161 local terms energy: -61.897914 where: bonds (distance) C4'-P energy: -15.744 bonds (distance) P-C4' energy: -13.619 flat angles C4'-P-C4' energy: -13.784 flat angles P-C4'-P energy: -7.571 tors. eta vs tors. theta energy: -11.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -202.033337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.033337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.033337 (E_RNA) where: Base-Base interactions energy: -141.574 where: short stacking energy: -56.442 Base-Backbone interact. energy: -0.039 local terms energy: -60.420402 where: bonds (distance) C4'-P energy: -12.477 bonds (distance) P-C4' energy: -15.069 flat angles C4'-P-C4' energy: -14.483 flat angles P-C4'-P energy: -3.656 tors. eta vs tors. theta energy: -14.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -173.139095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.139095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.139095 (E_RNA) where: Base-Base interactions energy: -116.816 where: short stacking energy: -44.693 Base-Backbone interact. energy: -0.108 local terms energy: -56.215232 where: bonds (distance) C4'-P energy: -14.003 bonds (distance) P-C4' energy: -13.419 flat angles C4'-P-C4' energy: -8.435 flat angles P-C4'-P energy: -10.053 tors. eta vs tors. theta energy: -10.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -164.226803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.226803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.226803 (E_RNA) where: Base-Base interactions energy: -111.754 where: short stacking energy: -49.222 Base-Backbone interact. energy: -0.607 local terms energy: -51.865298 where: bonds (distance) C4'-P energy: -7.207 bonds (distance) P-C4' energy: -16.661 flat angles C4'-P-C4' energy: -12.972 flat angles P-C4'-P energy: -5.600 tors. eta vs tors. theta energy: -9.426 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: 181 Temperature: 1.250000 Total energy: -111.851585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.851585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.851585 (E_RNA) where: Base-Base interactions energy: -68.002 where: short stacking energy: -39.418 Base-Backbone interact. energy: 1.868 local terms energy: -45.717934 where: bonds (distance) C4'-P energy: -11.413 bonds (distance) P-C4' energy: -14.231 flat angles C4'-P-C4' energy: -13.102 flat angles P-C4'-P energy: -5.117 tors. eta vs tors. theta energy: -1.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -118.378838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.378838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.378838 (E_RNA) where: Base-Base interactions energy: -70.467 where: short stacking energy: -34.335 Base-Backbone interact. energy: -0.136 local terms energy: -47.775418 where: bonds (distance) C4'-P energy: -14.452 bonds (distance) P-C4' energy: -9.263 flat angles C4'-P-C4' energy: -14.522 flat angles P-C4'-P energy: -4.151 tors. eta vs tors. theta energy: -5.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -81.762047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.762047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.762047 (E_RNA) where: Base-Base interactions energy: -29.295 where: short stacking energy: -29.295 Base-Backbone interact. energy: -0.573 local terms energy: -51.893898 where: bonds (distance) C4'-P energy: -10.709 bonds (distance) P-C4' energy: -13.147 flat angles C4'-P-C4' energy: -12.612 flat angles P-C4'-P energy: -10.678 tors. eta vs tors. theta energy: -4.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -222.180449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.180449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.180449 (E_RNA) where: Base-Base interactions energy: -152.383 where: short stacking energy: -62.985 Base-Backbone interact. energy: -0.307 local terms energy: -69.490400 where: bonds (distance) C4'-P energy: -13.231 bonds (distance) P-C4' energy: -13.040 flat angles C4'-P-C4' energy: -16.472 flat angles P-C4'-P energy: -9.426 tors. eta vs tors. theta energy: -17.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -211.670331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.670331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.670331 (E_RNA) where: Base-Base interactions energy: -139.990 where: short stacking energy: -65.568 Base-Backbone interact. energy: -0.550 local terms energy: -71.130309 where: bonds (distance) C4'-P energy: -13.720 bonds (distance) P-C4' energy: -17.237 flat angles C4'-P-C4' energy: -14.744 flat angles P-C4'-P energy: -6.299 tors. eta vs tors. theta energy: -19.131 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: 182 Temperature: 1.000000 Total energy: -214.733744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.733744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.733744 (E_RNA) where: Base-Base interactions energy: -147.704 where: short stacking energy: -69.085 Base-Backbone interact. energy: -0.008 local terms energy: -67.022312 where: bonds (distance) C4'-P energy: -16.045 bonds (distance) P-C4' energy: -15.963 flat angles C4'-P-C4' energy: -12.518 flat angles P-C4'-P energy: -6.840 tors. eta vs tors. theta energy: -15.657 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: 8 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -194.430479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.430479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.430479 (E_RNA) where: Base-Base interactions energy: -128.569 where: short stacking energy: -59.536 Base-Backbone interact. energy: -0.051 local terms energy: -65.810652 where: bonds (distance) C4'-P energy: -13.507 bonds (distance) P-C4' energy: -16.379 flat angles C4'-P-C4' energy: -11.843 flat angles P-C4'-P energy: -12.096 tors. eta vs tors. theta energy: -11.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -212.018891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.018891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.018891 (E_RNA) where: Base-Base interactions energy: -143.670 where: short stacking energy: -57.838 Base-Backbone interact. energy: -0.690 local terms energy: -67.658556 where: bonds (distance) C4'-P energy: -13.876 bonds (distance) P-C4' energy: -14.182 flat angles C4'-P-C4' energy: -13.399 flat angles P-C4'-P energy: -9.518 tors. eta vs tors. theta energy: -16.684 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: 5 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -146.065220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.065220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.065220 (E_RNA) where: Base-Base interactions energy: -90.507 where: short stacking energy: -47.948 Base-Backbone interact. energy: -0.248 local terms energy: -55.310099 where: bonds (distance) C4'-P energy: -14.564 bonds (distance) P-C4' energy: -16.272 flat angles C4'-P-C4' energy: -9.450 flat angles P-C4'-P energy: -8.236 tors. eta vs tors. theta energy: -6.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -180.438395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.438395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.438395 (E_RNA) where: Base-Base interactions energy: -125.011 where: short stacking energy: -49.938 Base-Backbone interact. energy: -0.461 local terms energy: -54.965596 where: bonds (distance) C4'-P energy: -12.907 bonds (distance) P-C4' energy: -14.355 flat angles C4'-P-C4' energy: -10.536 flat angles P-C4'-P energy: -6.312 tors. eta vs tors. theta energy: -10.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -86.242624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.242624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.242624 (E_RNA) where: Base-Base interactions energy: -34.754 where: short stacking energy: -27.520 Base-Backbone interact. energy: 1.814 local terms energy: -53.302563 where: bonds (distance) C4'-P energy: -14.634 bonds (distance) P-C4' energy: -12.274 flat angles C4'-P-C4' energy: -13.555 flat angles P-C4'-P energy: -11.308 tors. eta vs tors. theta energy: -1.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -86.562728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.562728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.562728 (E_RNA) where: Base-Base interactions energy: -35.478 where: short stacking energy: -33.699 Base-Backbone interact. energy: 0.354 local terms energy: -51.438541 where: bonds (distance) C4'-P energy: -16.597 bonds (distance) P-C4' energy: -11.774 flat angles C4'-P-C4' energy: -11.260 flat angles P-C4'-P energy: -5.484 tors. eta vs tors. theta energy: -6.325 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: 10, replica: 4 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -75.416496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.416496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.416496 (E_RNA) where: Base-Base interactions energy: -21.400 where: short stacking energy: -21.728 Base-Backbone interact. energy: -0.228 local terms energy: -53.788860 where: bonds (distance) C4'-P energy: -14.977 bonds (distance) P-C4' energy: -8.809 flat angles C4'-P-C4' energy: -14.448 flat angles P-C4'-P energy: -7.317 tors. eta vs tors. theta energy: -8.238 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: 1 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -221.754484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.754484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.754484 (E_RNA) where: Base-Base interactions energy: -147.297 where: short stacking energy: -65.153 Base-Backbone interact. energy: -0.902 local terms energy: -73.555665 where: bonds (distance) C4'-P energy: -14.596 bonds (distance) P-C4' energy: -15.470 flat angles C4'-P-C4' energy: -16.927 flat angles P-C4'-P energy: -10.677 tors. eta vs tors. theta energy: -15.885 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: 10 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -218.501259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.501259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.501259 (E_RNA) where: Base-Base interactions energy: -148.046 where: short stacking energy: -61.856 Base-Backbone interact. energy: -0.420 local terms energy: -70.035301 where: bonds (distance) C4'-P energy: -13.239 bonds (distance) P-C4' energy: -17.982 flat angles C4'-P-C4' energy: -13.308 flat angles P-C4'-P energy: -9.830 tors. eta vs tors. theta energy: -15.677 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: 7 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -205.298660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.298660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.298660 (E_RNA) where: Base-Base interactions energy: -137.316 where: short stacking energy: -67.382 Base-Backbone interact. energy: -0.095 local terms energy: -67.887537 where: bonds (distance) C4'-P energy: -15.210 bonds (distance) P-C4' energy: -12.628 flat angles C4'-P-C4' energy: -13.980 flat angles P-C4'-P energy: -6.658 tors. eta vs tors. theta energy: -19.411 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: 8 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -188.628833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.628833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.628833 (E_RNA) where: Base-Base interactions energy: -126.834 where: short stacking energy: -45.782 Base-Backbone interact. energy: -0.131 local terms energy: -61.663522 where: bonds (distance) C4'-P energy: -13.301 bonds (distance) P-C4' energy: -14.920 flat angles C4'-P-C4' energy: -12.178 flat angles P-C4'-P energy: -8.798 tors. eta vs tors. theta energy: -12.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -190.561500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.561500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.561500 (E_RNA) where: Base-Base interactions energy: -124.808 where: short stacking energy: -52.042 Base-Backbone interact. energy: -0.383 local terms energy: -65.369854 where: bonds (distance) C4'-P energy: -13.089 bonds (distance) P-C4' energy: -11.589 flat angles C4'-P-C4' energy: -13.518 flat angles P-C4'-P energy: -11.425 tors. eta vs tors. theta energy: -15.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -183.604932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.604932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.604932 (E_RNA) where: Base-Base interactions energy: -125.666 where: short stacking energy: -51.512 Base-Backbone interact. energy: 1.993 local terms energy: -59.931823 where: bonds (distance) C4'-P energy: -11.587 bonds (distance) P-C4' energy: -14.293 flat angles C4'-P-C4' energy: -11.852 flat angles P-C4'-P energy: -9.305 tors. eta vs tors. theta energy: -12.896 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: 5 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -144.299545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.299545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.299545 (E_RNA) where: Base-Base interactions energy: -89.569 where: short stacking energy: -43.652 Base-Backbone interact. energy: -0.079 local terms energy: -54.651788 where: bonds (distance) C4'-P energy: -14.103 bonds (distance) P-C4' energy: -12.362 flat angles C4'-P-C4' energy: -13.480 flat angles P-C4'-P energy: -8.341 tors. eta vs tors. theta energy: -6.366 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: 3 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -81.848114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.848114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.848114 (E_RNA) where: Base-Base interactions energy: -36.393 where: short stacking energy: -36.040 Base-Backbone interact. energy: 0.700 local terms energy: -46.154272 where: bonds (distance) C4'-P energy: -15.122 bonds (distance) P-C4' energy: -10.589 flat angles C4'-P-C4' energy: -9.860 flat angles P-C4'-P energy: -6.549 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: 9, replica: 6 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -90.029051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.029051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.029051 (E_RNA) where: Base-Base interactions energy: -42.666 where: short stacking energy: -40.378 Base-Backbone interact. energy: -0.134 local terms energy: -47.228706 where: bonds (distance) C4'-P energy: -10.731 bonds (distance) P-C4' energy: -8.695 flat angles C4'-P-C4' energy: -12.177 flat angles P-C4'-P energy: -8.935 tors. eta vs tors. theta energy: -6.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -83.658832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.658832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.658832 (E_RNA) where: Base-Base interactions energy: -41.027 where: short stacking energy: -30.356 Base-Backbone interact. energy: -0.188 local terms energy: -42.443608 where: bonds (distance) C4'-P energy: -10.237 bonds (distance) P-C4' energy: -12.589 flat angles C4'-P-C4' energy: -12.651 flat angles P-C4'-P energy: -2.076 tors. eta vs tors. theta energy: -4.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -220.729237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.729237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.729237 (E_RNA) where: Base-Base interactions energy: -148.962 where: short stacking energy: -64.271 Base-Backbone interact. energy: -0.001 local terms energy: -71.766648 where: bonds (distance) C4'-P energy: -14.518 bonds (distance) P-C4' energy: -17.538 flat angles C4'-P-C4' energy: -16.005 flat angles P-C4'-P energy: -9.712 tors. eta vs tors. theta energy: -13.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -217.553188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.553188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.553188 (E_RNA) where: Base-Base interactions energy: -147.100 where: short stacking energy: -62.395 Base-Backbone interact. energy: -0.100 local terms energy: -70.353002 where: bonds (distance) C4'-P energy: -15.110 bonds (distance) P-C4' energy: -13.334 flat angles C4'-P-C4' energy: -16.869 flat angles P-C4'-P energy: -7.418 tors. eta vs tors. theta energy: -17.621 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: 3, replica: 8 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -201.385733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.385733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.385733 (E_RNA) where: Base-Base interactions energy: -139.885 where: short stacking energy: -60.058 Base-Backbone interact. energy: 0.711 local terms energy: -62.211493 where: bonds (distance) C4'-P energy: -15.052 bonds (distance) P-C4' energy: -11.525 flat angles C4'-P-C4' energy: -13.871 flat angles P-C4'-P energy: -9.951 tors. eta vs tors. theta energy: -11.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -208.651441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.651441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.651441 (E_RNA) where: Base-Base interactions energy: -139.712 where: short stacking energy: -63.533 Base-Backbone interact. energy: -0.002 local terms energy: -68.938226 where: bonds (distance) C4'-P energy: -14.828 bonds (distance) P-C4' energy: -15.037 flat angles C4'-P-C4' energy: -14.828 flat angles P-C4'-P energy: -9.518 tors. eta vs tors. theta energy: -14.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -185.373302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.373302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.373302 (E_RNA) where: Base-Base interactions energy: -124.652 where: short stacking energy: -54.332 Base-Backbone interact. energy: -0.735 local terms energy: -59.986332 where: bonds (distance) C4'-P energy: -14.366 bonds (distance) P-C4' energy: -15.762 flat angles C4'-P-C4' energy: -6.899 flat angles P-C4'-P energy: -11.708 tors. eta vs tors. theta energy: -11.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -183.442919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.442919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.442919 (E_RNA) where: Base-Base interactions energy: -122.626 where: short stacking energy: -52.080 Base-Backbone interact. energy: -0.336 local terms energy: -60.480421 where: bonds (distance) C4'-P energy: -11.401 bonds (distance) P-C4' energy: -12.072 flat angles C4'-P-C4' energy: -15.474 flat angles P-C4'-P energy: -4.068 tors. eta vs tors. theta energy: -17.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -162.641057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.641057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.641057 (E_RNA) where: Base-Base interactions energy: -93.503 where: short stacking energy: -42.418 Base-Backbone interact. energy: -0.742 local terms energy: -68.395944 where: bonds (distance) C4'-P energy: -15.479 bonds (distance) P-C4' energy: -17.569 flat angles C4'-P-C4' energy: -14.505 flat angles P-C4'-P energy: -9.061 tors. eta vs tors. theta energy: -11.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -99.012223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.012223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.012223 (E_RNA) where: Base-Base interactions energy: -43.257 where: short stacking energy: -31.884 Base-Backbone interact. energy: 0.224 local terms energy: -55.979023 where: bonds (distance) C4'-P energy: -11.484 bonds (distance) P-C4' energy: -15.624 flat angles C4'-P-C4' energy: -11.478 flat angles P-C4'-P energy: -9.160 tors. eta vs tors. theta energy: -8.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -78.490331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.490331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.490331 (E_RNA) where: Base-Base interactions energy: -37.529 where: short stacking energy: -32.853 Base-Backbone interact. energy: -0.243 local terms energy: -40.718922 where: bonds (distance) C4'-P energy: -11.500 bonds (distance) P-C4' energy: -11.704 flat angles C4'-P-C4' energy: -11.016 flat angles P-C4'-P energy: -3.029 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: 10, replica: 6 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -71.588799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.588799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.588799 (E_RNA) where: Base-Base interactions energy: -18.419 where: short stacking energy: -18.419 Base-Backbone interact. energy: -0.035 local terms energy: -53.134883 where: bonds (distance) C4'-P energy: -14.970 bonds (distance) P-C4' energy: -7.933 flat angles C4'-P-C4' energy: -13.040 flat angles P-C4'-P energy: -11.023 tors. eta vs tors. theta energy: -6.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -219.381465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.381465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.381465 (E_RNA) where: Base-Base interactions energy: -156.234 where: short stacking energy: -65.538 Base-Backbone interact. energy: -0.789 local terms energy: -62.357702 where: bonds (distance) C4'-P energy: -12.312 bonds (distance) P-C4' energy: -14.930 flat angles C4'-P-C4' energy: -14.830 flat angles P-C4'-P energy: -6.455 tors. eta vs tors. theta energy: -13.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -219.006386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.006386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.006386 (E_RNA) where: Base-Base interactions energy: -155.245 where: short stacking energy: -65.555 Base-Backbone interact. energy: -0.143 local terms energy: -63.618353 where: bonds (distance) C4'-P energy: -13.575 bonds (distance) P-C4' energy: -14.782 flat angles C4'-P-C4' energy: -12.612 flat angles P-C4'-P energy: -7.469 tors. eta vs tors. theta energy: -15.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -198.393848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.393848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.393848 (E_RNA) where: Base-Base interactions energy: -137.710 where: short stacking energy: -60.181 Base-Backbone interact. energy: -0.136 local terms energy: -60.547557 where: bonds (distance) C4'-P energy: -14.945 bonds (distance) P-C4' energy: -13.234 flat angles C4'-P-C4' energy: -14.337 flat angles P-C4'-P energy: -6.394 tors. eta vs tors. theta energy: -11.637 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: 7 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -206.057084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.057084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.057084 (E_RNA) where: Base-Base interactions energy: -147.929 where: short stacking energy: -63.825 Base-Backbone interact. energy: -0.028 local terms energy: -58.099729 where: bonds (distance) C4'-P energy: -12.874 bonds (distance) P-C4' energy: -14.684 flat angles C4'-P-C4' energy: -14.247 flat angles P-C4'-P energy: -4.921 tors. eta vs tors. theta energy: -11.375 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: 2 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -175.364189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.364189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.364189 (E_RNA) where: Base-Base interactions energy: -120.355 where: short stacking energy: -52.240 Base-Backbone interact. energy: -0.012 local terms energy: -54.997007 where: bonds (distance) C4'-P energy: -12.989 bonds (distance) P-C4' energy: -13.861 flat angles C4'-P-C4' energy: -10.902 flat angles P-C4'-P energy: -5.441 tors. eta vs tors. theta energy: -11.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -177.587101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.587101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.587101 (E_RNA) where: Base-Base interactions energy: -119.171 where: short stacking energy: -50.520 Base-Backbone interact. energy: -0.055 local terms energy: -58.360926 where: bonds (distance) C4'-P energy: -12.948 bonds (distance) P-C4' energy: -15.075 flat angles C4'-P-C4' energy: -14.200 flat angles P-C4'-P energy: -6.254 tors. eta vs tors. theta energy: -9.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -165.452752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.452752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.452752 (E_RNA) where: Base-Base interactions energy: -104.716 where: short stacking energy: -51.776 Base-Backbone interact. energy: -0.111 local terms energy: -60.625676 where: bonds (distance) C4'-P energy: -12.358 bonds (distance) P-C4' energy: -11.661 flat angles C4'-P-C4' energy: -15.452 flat angles P-C4'-P energy: -9.481 tors. eta vs tors. theta energy: -11.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -110.706235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.706235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.706235 (E_RNA) where: Base-Base interactions energy: -61.485 where: short stacking energy: -35.136 Base-Backbone interact. energy: -0.091 local terms energy: -49.129628 where: bonds (distance) C4'-P energy: -11.204 bonds (distance) P-C4' energy: -13.643 flat angles C4'-P-C4' energy: -12.800 flat angles P-C4'-P energy: -8.357 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: 9, replica: 3 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -82.928845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.928845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.928845 (E_RNA) where: Base-Base interactions energy: -32.474 where: short stacking energy: -30.761 Base-Backbone interact. energy: -0.085 local terms energy: -50.369533 where: bonds (distance) C4'-P energy: -12.829 bonds (distance) P-C4' energy: -13.013 flat angles C4'-P-C4' energy: -14.883 flat angles P-C4'-P energy: -7.857 tors. eta vs tors. theta energy: -1.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -75.277394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.277394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.277394 (E_RNA) where: Base-Base interactions energy: -32.759 where: short stacking energy: -32.759 Base-Backbone interact. energy: 0.064 local terms energy: -42.582669 where: bonds (distance) C4'-P energy: -9.046 bonds (distance) P-C4' energy: -14.663 flat angles C4'-P-C4' energy: -11.678 flat angles P-C4'-P energy: -4.399 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: 1, replica: 1 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -222.664411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.664411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.664411 (E_RNA) where: Base-Base interactions energy: -153.316 where: short stacking energy: -69.223 Base-Backbone interact. energy: -0.051 local terms energy: -69.297708 where: bonds (distance) C4'-P energy: -13.019 bonds (distance) P-C4' energy: -15.253 flat angles C4'-P-C4' energy: -15.655 flat angles P-C4'-P energy: -7.890 tors. eta vs tors. theta energy: -17.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -214.798472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.798472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.798472 (E_RNA) where: Base-Base interactions energy: -148.893 where: short stacking energy: -63.667 Base-Backbone interact. energy: -0.684 local terms energy: -65.221924 where: bonds (distance) C4'-P energy: -11.777 bonds (distance) P-C4' energy: -14.765 flat angles C4'-P-C4' energy: -14.301 flat angles P-C4'-P energy: -8.130 tors. eta vs tors. theta energy: -16.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -220.992137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.992137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.992137 (E_RNA) where: Base-Base interactions energy: -155.847 where: short stacking energy: -72.571 Base-Backbone interact. energy: -0.028 local terms energy: -65.117490 where: bonds (distance) C4'-P energy: -12.481 bonds (distance) P-C4' energy: -15.240 flat angles C4'-P-C4' energy: -13.614 flat angles P-C4'-P energy: -5.764 tors. eta vs tors. theta energy: -18.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -192.910406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.910406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.910406 (E_RNA) where: Base-Base interactions energy: -130.744 where: short stacking energy: -50.641 Base-Backbone interact. energy: -0.082 local terms energy: -62.084513 where: bonds (distance) C4'-P energy: -12.530 bonds (distance) P-C4' energy: -12.215 flat angles C4'-P-C4' energy: -13.687 flat angles P-C4'-P energy: -11.806 tors. eta vs tors. theta energy: -11.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -187.165018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.165018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.165018 (E_RNA) where: Base-Base interactions energy: -124.048 where: short stacking energy: -64.890 Base-Backbone interact. energy: -0.285 local terms energy: -62.832846 where: bonds (distance) C4'-P energy: -12.241 bonds (distance) P-C4' energy: -14.133 flat angles C4'-P-C4' energy: -13.956 flat angles P-C4'-P energy: -5.228 tors. eta vs tors. theta energy: -17.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -184.951450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.951450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.951450 (E_RNA) where: Base-Base interactions energy: -120.999 where: short stacking energy: -51.529 Base-Backbone interact. energy: 0.401 local terms energy: -64.353726 where: bonds (distance) C4'-P energy: -14.621 bonds (distance) P-C4' energy: -11.508 flat angles C4'-P-C4' energy: -15.658 flat angles P-C4'-P energy: -10.054 tors. eta vs tors. theta energy: -12.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -163.319495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.319495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.319495 (E_RNA) where: Base-Base interactions energy: -104.518 where: short stacking energy: -50.861 Base-Backbone interact. energy: -0.027 local terms energy: -58.775086 where: bonds (distance) C4'-P energy: -12.548 bonds (distance) P-C4' energy: -15.759 flat angles C4'-P-C4' energy: -11.085 flat angles P-C4'-P energy: -4.646 tors. eta vs tors. theta energy: -14.738 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: 9 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -145.468499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.468499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.468499 (E_RNA) where: Base-Base interactions energy: -89.169 where: short stacking energy: -31.926 Base-Backbone interact. energy: -0.132 local terms energy: -56.168066 where: bonds (distance) C4'-P energy: -15.040 bonds (distance) P-C4' energy: -12.870 flat angles C4'-P-C4' energy: -14.630 flat angles P-C4'-P energy: -9.206 tors. eta vs tors. theta energy: -4.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -84.357542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.357542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.357542 (E_RNA) where: Base-Base interactions energy: -32.638 where: short stacking energy: -32.638 Base-Backbone interact. energy: -0.125 local terms energy: -51.594169 where: bonds (distance) C4'-P energy: -15.288 bonds (distance) P-C4' energy: -12.567 flat angles C4'-P-C4' energy: -10.713 flat angles P-C4'-P energy: -5.756 tors. eta vs tors. theta energy: -7.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -74.451958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.451958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.451958 (E_RNA) where: Base-Base interactions energy: -31.441 where: short stacking energy: -31.441 Base-Backbone interact. energy: -0.174 local terms energy: -42.836280 where: bonds (distance) C4'-P energy: -9.503 bonds (distance) P-C4' energy: -14.483 flat angles C4'-P-C4' energy: -11.425 flat angles P-C4'-P energy: -3.930 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: 1, replica: 1 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -213.151010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.151010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.151010 (E_RNA) where: Base-Base interactions energy: -146.172 where: short stacking energy: -62.879 Base-Backbone interact. energy: -0.957 local terms energy: -66.022595 where: bonds (distance) C4'-P energy: -15.214 bonds (distance) P-C4' energy: -12.707 flat angles C4'-P-C4' energy: -12.048 flat angles P-C4'-P energy: -9.023 tors. eta vs tors. theta energy: -17.031 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: 2, replica: 7 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -220.383229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.383229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.383229 (E_RNA) where: Base-Base interactions energy: -152.300 where: short stacking energy: -65.676 Base-Backbone interact. energy: -0.239 local terms energy: -67.843646 where: bonds (distance) C4'-P energy: -14.294 bonds (distance) P-C4' energy: -13.923 flat angles C4'-P-C4' energy: -16.512 flat angles P-C4'-P energy: -8.649 tors. eta vs tors. theta energy: -14.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -209.414892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.414892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.414892 (E_RNA) where: Base-Base interactions energy: -142.952 where: short stacking energy: -60.671 Base-Backbone interact. energy: -0.032 local terms energy: -66.430882 where: bonds (distance) C4'-P energy: -13.168 bonds (distance) P-C4' energy: -15.097 flat angles C4'-P-C4' energy: -17.293 flat angles P-C4'-P energy: -6.477 tors. eta vs tors. theta energy: -14.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -182.751480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.751480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.751480 (E_RNA) where: Base-Base interactions energy: -114.111 where: short stacking energy: -50.612 Base-Backbone interact. energy: -0.098 local terms energy: -68.543147 where: bonds (distance) C4'-P energy: -15.342 bonds (distance) P-C4' energy: -14.505 flat angles C4'-P-C4' energy: -12.498 flat angles P-C4'-P energy: -8.512 tors. eta vs tors. theta energy: -17.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -171.501347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.501347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.501347 (E_RNA) where: Base-Base interactions energy: -112.888 where: short stacking energy: -49.383 Base-Backbone interact. energy: -0.023 local terms energy: -58.590289 where: bonds (distance) C4'-P energy: -12.672 bonds (distance) P-C4' energy: -15.371 flat angles C4'-P-C4' energy: -12.992 flat angles P-C4'-P energy: -8.637 tors. eta vs tors. theta energy: -8.919 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: 6, replica: 4 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -170.212802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.212802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.212802 (E_RNA) where: Base-Base interactions energy: -110.273 where: short stacking energy: -57.459 Base-Backbone interact. energy: -0.166 local terms energy: -59.772959 where: bonds (distance) C4'-P energy: -12.772 bonds (distance) P-C4' energy: -16.238 flat angles C4'-P-C4' energy: -14.477 flat angles P-C4'-P energy: -0.395 tors. eta vs tors. theta energy: -15.892 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: 2 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -188.362769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.362769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.362769 (E_RNA) where: Base-Base interactions energy: -126.450 where: short stacking energy: -55.119 Base-Backbone interact. energy: -0.211 local terms energy: -61.701613 where: bonds (distance) C4'-P energy: -12.999 bonds (distance) P-C4' energy: -13.479 flat angles C4'-P-C4' energy: -9.065 flat angles P-C4'-P energy: -11.857 tors. eta vs tors. theta energy: -14.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -133.918599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.918599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.918599 (E_RNA) where: Base-Base interactions energy: -85.683 where: short stacking energy: -38.382 Base-Backbone interact. energy: 1.693 local terms energy: -49.929005 where: bonds (distance) C4'-P energy: -13.200 bonds (distance) P-C4' energy: -12.784 flat angles C4'-P-C4' energy: -14.576 flat angles P-C4'-P energy: -6.711 tors. eta vs tors. theta energy: -2.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -75.957545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.957545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.957545 (E_RNA) where: Base-Base interactions energy: -28.467 where: short stacking energy: -28.467 Base-Backbone interact. energy: -0.032 local terms energy: -47.458563 where: bonds (distance) C4'-P energy: -13.512 bonds (distance) P-C4' energy: -12.563 flat angles C4'-P-C4' energy: -11.897 flat angles P-C4'-P energy: -5.523 tors. eta vs tors. theta energy: -3.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -76.685305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.685305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.685305 (E_RNA) where: Base-Base interactions energy: -37.709 where: short stacking energy: -21.068 Base-Backbone interact. energy: 1.205 local terms energy: -40.181280 where: bonds (distance) C4'-P energy: -10.129 bonds (distance) P-C4' energy: -12.307 flat angles C4'-P-C4' energy: -12.909 flat angles P-C4'-P energy: -5.741 tors. eta vs tors. theta energy: 0.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -218.160371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.160371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.160371 (E_RNA) where: Base-Base interactions energy: -147.035 where: short stacking energy: -61.581 Base-Backbone interact. energy: -0.197 local terms energy: -70.927940 where: bonds (distance) C4'-P energy: -17.059 bonds (distance) P-C4' energy: -13.116 flat angles C4'-P-C4' energy: -14.879 flat angles P-C4'-P energy: -9.451 tors. eta vs tors. theta energy: -16.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -210.504730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.504730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.504730 (E_RNA) where: Base-Base interactions energy: -139.208 where: short stacking energy: -64.058 Base-Backbone interact. energy: -0.253 local terms energy: -71.043509 where: bonds (distance) C4'-P energy: -15.354 bonds (distance) P-C4' energy: -15.523 flat angles C4'-P-C4' energy: -15.324 flat angles P-C4'-P energy: -6.059 tors. eta vs tors. theta energy: -18.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -216.954600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.954600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.954600 (E_RNA) where: Base-Base interactions energy: -148.960 where: short stacking energy: -64.562 Base-Backbone interact. energy: -0.726 local terms energy: -67.268210 where: bonds (distance) C4'-P energy: -9.669 bonds (distance) P-C4' energy: -15.004 flat angles C4'-P-C4' energy: -15.326 flat angles P-C4'-P energy: -9.667 tors. eta vs tors. theta energy: -17.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -183.146278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.146278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.146278 (E_RNA) where: Base-Base interactions energy: -116.668 where: short stacking energy: -60.732 Base-Backbone interact. energy: -0.008 local terms energy: -66.469623 where: bonds (distance) C4'-P energy: -14.506 bonds (distance) P-C4' energy: -12.503 flat angles C4'-P-C4' energy: -15.436 flat angles P-C4'-P energy: -10.385 tors. eta vs tors. theta energy: -13.639 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: 4 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -192.651396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.651396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.651396 (E_RNA) where: Base-Base interactions energy: -127.631 where: short stacking energy: -63.123 Base-Backbone interact. energy: -0.101 local terms energy: -64.919500 where: bonds (distance) C4'-P energy: -13.938 bonds (distance) P-C4' energy: -10.076 flat angles C4'-P-C4' energy: -14.662 flat angles P-C4'-P energy: -9.362 tors. eta vs tors. theta energy: -16.882 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: 188 Temperature: 1.150000 Total energy: -174.409191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.409191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.409191 (E_RNA) where: Base-Base interactions energy: -113.938 where: short stacking energy: -50.751 Base-Backbone interact. energy: -0.003 local terms energy: -60.468531 where: bonds (distance) C4'-P energy: -14.476 bonds (distance) P-C4' energy: -13.634 flat angles C4'-P-C4' energy: -12.752 flat angles P-C4'-P energy: -8.603 tors. eta vs tors. theta energy: -11.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -169.332959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.332959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.332959 (E_RNA) where: Base-Base interactions energy: -108.305 where: short stacking energy: -55.618 Base-Backbone interact. energy: -0.054 local terms energy: -60.973733 where: bonds (distance) C4'-P energy: -14.525 bonds (distance) P-C4' energy: -11.235 flat angles C4'-P-C4' energy: -13.504 flat angles P-C4'-P energy: -6.159 tors. eta vs tors. theta energy: -15.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -152.551260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.551260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.551260 (E_RNA) where: Base-Base interactions energy: -93.884 where: short stacking energy: -42.181 Base-Backbone interact. energy: -0.114 local terms energy: -58.552534 where: bonds (distance) C4'-P energy: -13.143 bonds (distance) P-C4' energy: -13.123 flat angles C4'-P-C4' energy: -11.519 flat angles P-C4'-P energy: -6.617 tors. eta vs tors. theta energy: -14.151 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: 3 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -77.795545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.795545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.795545 (E_RNA) where: Base-Base interactions energy: -31.743 where: short stacking energy: -31.616 Base-Backbone interact. energy: -0.095 local terms energy: -45.957448 where: bonds (distance) C4'-P energy: -13.345 bonds (distance) P-C4' energy: -14.159 flat angles C4'-P-C4' energy: -5.433 flat angles P-C4'-P energy: -10.751 tors. eta vs tors. theta energy: -2.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -74.742981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.742981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.742981 (E_RNA) where: Base-Base interactions energy: -26.925 where: short stacking energy: -25.441 Base-Backbone interact. energy: -0.062 local terms energy: -47.755749 where: bonds (distance) C4'-P energy: -8.299 bonds (distance) P-C4' energy: -13.693 flat angles C4'-P-C4' energy: -10.340 flat angles P-C4'-P energy: -11.758 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: 1, replica: 7 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -231.582043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -231.582043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -231.582043 (E_RNA) where: Base-Base interactions energy: -155.582 where: short stacking energy: -64.510 Base-Backbone interact. energy: -0.259 local terms energy: -75.740951 where: bonds (distance) C4'-P energy: -15.805 bonds (distance) P-C4' energy: -15.561 flat angles C4'-P-C4' energy: -15.415 flat angles P-C4'-P energy: -10.733 tors. eta vs tors. theta energy: -18.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -220.259348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.259348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.259348 (E_RNA) where: Base-Base interactions energy: -152.226 where: short stacking energy: -68.925 Base-Backbone interact. energy: -0.228 local terms energy: -67.805657 where: bonds (distance) C4'-P energy: -9.405 bonds (distance) P-C4' energy: -16.604 flat angles C4'-P-C4' energy: -13.307 flat angles P-C4'-P energy: -10.142 tors. eta vs tors. theta energy: -18.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -206.372350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.372350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.372350 (E_RNA) where: Base-Base interactions energy: -136.277 where: short stacking energy: -57.610 Base-Backbone interact. energy: -0.944 local terms energy: -69.151877 where: bonds (distance) C4'-P energy: -13.786 bonds (distance) P-C4' energy: -16.259 flat angles C4'-P-C4' energy: -16.175 flat angles P-C4'-P energy: -10.163 tors. eta vs tors. theta energy: -12.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -204.401369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.401369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.401369 (E_RNA) where: Base-Base interactions energy: -136.724 where: short stacking energy: -61.167 Base-Backbone interact. energy: 0.507 local terms energy: -68.185013 where: bonds (distance) C4'-P energy: -14.878 bonds (distance) P-C4' energy: -13.807 flat angles C4'-P-C4' energy: -15.361 flat angles P-C4'-P energy: -5.774 tors. eta vs tors. theta energy: -18.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -183.782290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.782290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.782290 (E_RNA) where: Base-Base interactions energy: -119.767 where: short stacking energy: -52.345 Base-Backbone interact. energy: -0.101 local terms energy: -63.913839 where: bonds (distance) C4'-P energy: -12.971 bonds (distance) P-C4' energy: -16.836 flat angles C4'-P-C4' energy: -15.400 flat angles P-C4'-P energy: -6.364 tors. eta vs tors. theta energy: -12.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -184.226732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.226732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.226732 (E_RNA) where: Base-Base interactions energy: -126.030 where: short stacking energy: -58.951 Base-Backbone interact. energy: 2.109 local terms energy: -60.305270 where: bonds (distance) C4'-P energy: -10.281 bonds (distance) P-C4' energy: -14.636 flat angles C4'-P-C4' energy: -10.169 flat angles P-C4'-P energy: -12.860 tors. eta vs tors. theta energy: -12.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -171.437472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.437472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.437472 (E_RNA) where: Base-Base interactions energy: -116.902 where: short stacking energy: -50.114 Base-Backbone interact. energy: -0.014 local terms energy: -54.521922 where: bonds (distance) C4'-P energy: -11.843 bonds (distance) P-C4' energy: -11.334 flat angles C4'-P-C4' energy: -12.053 flat angles P-C4'-P energy: -9.054 tors. eta vs tors. theta energy: -10.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -152.146290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.146290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.146290 (E_RNA) where: Base-Base interactions energy: -99.390 where: short stacking energy: -40.405 Base-Backbone interact. energy: -0.361 local terms energy: -52.395295 where: bonds (distance) C4'-P energy: -6.504 bonds (distance) P-C4' energy: -13.339 flat angles C4'-P-C4' energy: -14.553 flat angles P-C4'-P energy: -6.460 tors. eta vs tors. theta energy: -11.538 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: 3 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -86.106187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.106187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.106187 (E_RNA) where: Base-Base interactions energy: -32.958 where: short stacking energy: -31.322 Base-Backbone interact. energy: -0.087 local terms energy: -53.060240 where: bonds (distance) C4'-P energy: -8.875 bonds (distance) P-C4' energy: -13.575 flat angles C4'-P-C4' energy: -13.217 flat angles P-C4'-P energy: -10.440 tors. eta vs tors. theta energy: -6.954 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: 10, replica: 6 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -76.018976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.018976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.018976 (E_RNA) where: Base-Base interactions energy: -28.338 where: short stacking energy: -28.338 Base-Backbone interact. energy: -0.052 local terms energy: -47.629140 where: bonds (distance) C4'-P energy: -12.953 bonds (distance) P-C4' energy: -15.879 flat angles C4'-P-C4' energy: -6.817 flat angles P-C4'-P energy: -12.046 tors. eta vs tors. theta energy: 0.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -217.460245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.460245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.460245 (E_RNA) where: Base-Base interactions energy: -147.211 where: short stacking energy: -59.380 Base-Backbone interact. energy: -0.094 local terms energy: -70.154659 where: bonds (distance) C4'-P energy: -13.445 bonds (distance) P-C4' energy: -14.666 flat angles C4'-P-C4' energy: -14.020 flat angles P-C4'-P energy: -9.680 tors. eta vs tors. theta energy: -18.344 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: 7 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -218.330858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.330858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.330858 (E_RNA) where: Base-Base interactions energy: -146.771 where: short stacking energy: -64.406 Base-Backbone interact. energy: -0.007 local terms energy: -71.552071 where: bonds (distance) C4'-P energy: -15.202 bonds (distance) P-C4' energy: -13.717 flat angles C4'-P-C4' energy: -14.442 flat angles P-C4'-P energy: -10.889 tors. eta vs tors. theta energy: -17.303 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: 3, replica: 4 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -200.630682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.630682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.630682 (E_RNA) where: Base-Base interactions energy: -131.562 where: short stacking energy: -60.376 Base-Backbone interact. energy: -0.066 local terms energy: -69.002659 where: bonds (distance) C4'-P energy: -12.203 bonds (distance) P-C4' energy: -16.312 flat angles C4'-P-C4' energy: -14.249 flat angles P-C4'-P energy: -9.327 tors. eta vs tors. theta energy: -16.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -206.652340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.652340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.652340 (E_RNA) where: Base-Base interactions energy: -148.282 where: short stacking energy: -64.637 Base-Backbone interact. energy: 0.760 local terms energy: -59.130199 where: bonds (distance) C4'-P energy: -14.084 bonds (distance) P-C4' energy: -14.191 flat angles C4'-P-C4' energy: -9.606 flat angles P-C4'-P energy: -3.848 tors. eta vs tors. theta energy: -17.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -183.343788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.343788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.343788 (E_RNA) where: Base-Base interactions energy: -131.561 where: short stacking energy: -53.809 Base-Backbone interact. energy: -0.051 local terms energy: -51.731799 where: bonds (distance) C4'-P energy: -12.308 bonds (distance) P-C4' energy: -12.240 flat angles C4'-P-C4' energy: -10.776 flat angles P-C4'-P energy: -4.381 tors. eta vs tors. theta energy: -12.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -177.343948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.343948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.343948 (E_RNA) where: Base-Base interactions energy: -121.664 where: short stacking energy: -53.642 Base-Backbone interact. energy: -0.132 local terms energy: -55.547947 where: bonds (distance) C4'-P energy: -6.141 bonds (distance) P-C4' energy: -16.470 flat angles C4'-P-C4' energy: -9.304 flat angles P-C4'-P energy: -9.257 tors. eta vs tors. theta energy: -14.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -167.151442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.151442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.151442 (E_RNA) where: Base-Base interactions energy: -106.150 where: short stacking energy: -49.905 Base-Backbone interact. energy: -0.337 local terms energy: -60.664557 where: bonds (distance) C4'-P energy: -11.231 bonds (distance) P-C4' energy: -13.768 flat angles C4'-P-C4' energy: -13.592 flat angles P-C4'-P energy: -7.886 tors. eta vs tors. theta energy: -14.187 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: 5 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -150.664856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.664856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.664856 (E_RNA) where: Base-Base interactions energy: -96.959 where: short stacking energy: -36.081 Base-Backbone interact. energy: -0.136 local terms energy: -53.570129 where: bonds (distance) C4'-P energy: -12.113 bonds (distance) P-C4' energy: -13.259 flat angles C4'-P-C4' energy: -12.441 flat angles P-C4'-P energy: -9.683 tors. eta vs tors. theta energy: -6.074 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: 3 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -77.490579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.490579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.490579 (E_RNA) where: Base-Base interactions energy: -27.365 where: short stacking energy: -23.858 Base-Backbone interact. energy: -0.170 local terms energy: -49.955229 where: bonds (distance) C4'-P energy: -11.098 bonds (distance) P-C4' energy: -16.340 flat angles C4'-P-C4' energy: -11.453 flat angles P-C4'-P energy: -7.688 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: 10, replica: 6 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -79.016648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.016648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.016648 (E_RNA) where: Base-Base interactions energy: -34.590 where: short stacking energy: -27.445 Base-Backbone interact. energy: -0.085 local terms energy: -44.340946 where: bonds (distance) C4'-P energy: -12.767 bonds (distance) P-C4' energy: -7.406 flat angles C4'-P-C4' energy: -8.957 flat angles P-C4'-P energy: -9.425 tors. eta vs tors. theta energy: -5.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -220.223794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.223794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.223794 (E_RNA) where: Base-Base interactions energy: -146.214 where: short stacking energy: -62.200 Base-Backbone interact. energy: -0.011 local terms energy: -73.999138 where: bonds (distance) C4'-P energy: -14.653 bonds (distance) P-C4' energy: -15.336 flat angles C4'-P-C4' energy: -15.506 flat angles P-C4'-P energy: -12.363 tors. eta vs tors. theta energy: -16.141 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: 7 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -227.722135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.722135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.722135 (E_RNA) where: Base-Base interactions energy: -161.704 where: short stacking energy: -67.517 Base-Backbone interact. energy: -0.002 local terms energy: -66.016841 where: bonds (distance) C4'-P energy: -9.741 bonds (distance) P-C4' energy: -15.358 flat angles C4'-P-C4' energy: -15.510 flat angles P-C4'-P energy: -7.868 tors. eta vs tors. theta energy: -17.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -194.016176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.016176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.016176 (E_RNA) where: Base-Base interactions energy: -121.773 where: short stacking energy: -62.850 Base-Backbone interact. energy: -0.127 local terms energy: -72.116910 where: bonds (distance) C4'-P energy: -14.465 bonds (distance) P-C4' energy: -13.956 flat angles C4'-P-C4' energy: -15.457 flat angles P-C4'-P energy: -10.773 tors. eta vs tors. theta energy: -17.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -217.523409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.523409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.523409 (E_RNA) where: Base-Base interactions energy: -146.270 where: short stacking energy: -64.541 Base-Backbone interact. energy: -0.066 local terms energy: -71.188116 where: bonds (distance) C4'-P energy: -12.328 bonds (distance) P-C4' energy: -16.118 flat angles C4'-P-C4' energy: -14.500 flat angles P-C4'-P energy: -11.146 tors. eta vs tors. theta energy: -17.096 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: 191 Temperature: 1.100000 Total energy: -188.910915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.910915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.910915 (E_RNA) where: Base-Base interactions energy: -124.649 where: short stacking energy: -54.379 Base-Backbone interact. energy: 0.062 local terms energy: -64.323784 where: bonds (distance) C4'-P energy: -14.121 bonds (distance) P-C4' energy: -13.673 flat angles C4'-P-C4' energy: -14.997 flat angles P-C4'-P energy: -6.727 tors. eta vs tors. theta energy: -14.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -179.779338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.779338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.779338 (E_RNA) where: Base-Base interactions energy: -111.359 where: short stacking energy: -55.136 Base-Backbone interact. energy: -0.004 local terms energy: -68.417087 where: bonds (distance) C4'-P energy: -15.093 bonds (distance) P-C4' energy: -16.488 flat angles C4'-P-C4' energy: -12.325 flat angles P-C4'-P energy: -7.268 tors. eta vs tors. theta energy: -17.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -162.425054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.425054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.425054 (E_RNA) where: Base-Base interactions energy: -112.934 where: short stacking energy: -53.178 Base-Backbone interact. energy: -0.692 local terms energy: -48.799219 where: bonds (distance) C4'-P energy: -9.497 bonds (distance) P-C4' energy: -9.258 flat angles C4'-P-C4' energy: -6.584 flat angles P-C4'-P energy: -10.940 tors. eta vs tors. theta energy: -12.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -142.012001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.012001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.012001 (E_RNA) where: Base-Base interactions energy: -86.814 where: short stacking energy: -44.150 Base-Backbone interact. energy: -0.087 local terms energy: -55.111039 where: bonds (distance) C4'-P energy: -12.357 bonds (distance) P-C4' energy: -10.576 flat angles C4'-P-C4' energy: -14.716 flat angles P-C4'-P energy: -11.915 tors. eta vs tors. theta energy: -5.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -82.208892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.208892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.208892 (E_RNA) where: Base-Base interactions energy: -31.463 where: short stacking energy: -26.116 Base-Backbone interact. energy: -0.035 local terms energy: -50.711053 where: bonds (distance) C4'-P energy: -10.924 bonds (distance) P-C4' energy: -14.335 flat angles C4'-P-C4' energy: -10.553 flat angles P-C4'-P energy: -9.672 tors. eta vs tors. theta energy: -5.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -76.204862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.204862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.204862 (E_RNA) where: Base-Base interactions energy: -20.800 where: short stacking energy: -20.800 Base-Backbone interact. energy: -0.081 local terms energy: -55.323541 where: bonds (distance) C4'-P energy: -11.543 bonds (distance) P-C4' energy: -14.768 flat angles C4'-P-C4' energy: -13.178 flat angles P-C4'-P energy: -10.908 tors. eta vs tors. theta energy: -4.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -224.599217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.599217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.599217 (E_RNA) where: Base-Base interactions energy: -152.150 where: short stacking energy: -65.228 Base-Backbone interact. energy: -0.500 local terms energy: -71.949519 where: bonds (distance) C4'-P energy: -15.450 bonds (distance) P-C4' energy: -12.693 flat angles C4'-P-C4' energy: -14.526 flat angles P-C4'-P energy: -10.326 tors. eta vs tors. theta energy: -18.954 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: 10 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -216.104183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.104183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.104183 (E_RNA) where: Base-Base interactions energy: -145.783 where: short stacking energy: -64.748 Base-Backbone interact. energy: -0.954 local terms energy: -69.367188 where: bonds (distance) C4'-P energy: -12.904 bonds (distance) P-C4' energy: -15.821 flat angles C4'-P-C4' energy: -15.497 flat angles P-C4'-P energy: -7.129 tors. eta vs tors. theta energy: -18.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -216.282856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.282856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.282856 (E_RNA) where: Base-Base interactions energy: -148.541 where: short stacking energy: -62.878 Base-Backbone interact. energy: -0.409 local terms energy: -67.332295 where: bonds (distance) C4'-P energy: -13.433 bonds (distance) P-C4' energy: -15.247 flat angles C4'-P-C4' energy: -14.453 flat angles P-C4'-P energy: -7.840 tors. eta vs tors. theta energy: -16.360 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: 4 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -191.324151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.324151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.324151 (E_RNA) where: Base-Base interactions energy: -123.851 where: short stacking energy: -64.373 Base-Backbone interact. energy: -0.000 local terms energy: -67.472727 where: bonds (distance) C4'-P energy: -17.122 bonds (distance) P-C4' energy: -14.199 flat angles C4'-P-C4' energy: -17.069 flat angles P-C4'-P energy: -5.536 tors. eta vs tors. theta energy: -13.548 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: 9 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -184.447631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.447631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.447631 (E_RNA) where: Base-Base interactions energy: -125.857 where: short stacking energy: -45.350 Base-Backbone interact. energy: -0.884 local terms energy: -57.707145 where: bonds (distance) C4'-P energy: -14.278 bonds (distance) P-C4' energy: -12.937 flat angles C4'-P-C4' energy: -13.508 flat angles P-C4'-P energy: -9.547 tors. eta vs tors. theta energy: -7.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -179.115995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.115995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.115995 (E_RNA) where: Base-Base interactions energy: -119.737 where: short stacking energy: -43.032 Base-Backbone interact. energy: -0.262 local terms energy: -59.117262 where: bonds (distance) C4'-P energy: -15.416 bonds (distance) P-C4' energy: -13.138 flat angles C4'-P-C4' energy: -11.054 flat angles P-C4'-P energy: -8.595 tors. eta vs tors. theta energy: -10.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -152.241584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.241584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.241584 (E_RNA) where: Base-Base interactions energy: -103.841 where: short stacking energy: -47.065 Base-Backbone interact. energy: -0.010 local terms energy: -48.390574 where: bonds (distance) C4'-P energy: -13.834 bonds (distance) P-C4' energy: -13.112 flat angles C4'-P-C4' energy: -8.931 flat angles P-C4'-P energy: -4.398 tors. eta vs tors. theta energy: -8.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -163.742155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.742155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.742155 (E_RNA) where: Base-Base interactions energy: -102.844 where: short stacking energy: -42.217 Base-Backbone interact. energy: -0.119 local terms energy: -60.778582 where: bonds (distance) C4'-P energy: -11.323 bonds (distance) P-C4' energy: -13.276 flat angles C4'-P-C4' energy: -14.406 flat angles P-C4'-P energy: -5.915 tors. eta vs tors. theta energy: -15.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -79.653395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.653395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.653395 (E_RNA) where: Base-Base interactions energy: -34.650 where: short stacking energy: -24.411 Base-Backbone interact. energy: -0.085 local terms energy: -44.918406 where: bonds (distance) C4'-P energy: -14.535 bonds (distance) P-C4' energy: -9.813 flat angles C4'-P-C4' energy: -13.896 flat angles P-C4'-P energy: -6.777 tors. eta vs tors. theta energy: 0.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -83.041523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.041523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.041523 (E_RNA) where: Base-Base interactions energy: -33.341 where: short stacking energy: -30.238 Base-Backbone interact. energy: 0.080 local terms energy: -49.780680 where: bonds (distance) C4'-P energy: -10.750 bonds (distance) P-C4' energy: -13.416 flat angles C4'-P-C4' energy: -14.384 flat angles P-C4'-P energy: -7.153 tors. eta vs tors. theta energy: -4.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -223.278090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.278090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.278090 (E_RNA) where: Base-Base interactions energy: -158.579 where: short stacking energy: -68.862 Base-Backbone interact. energy: -0.020 local terms energy: -64.679129 where: bonds (distance) C4'-P energy: -13.390 bonds (distance) P-C4' energy: -13.942 flat angles C4'-P-C4' energy: -13.262 flat angles P-C4'-P energy: -10.688 tors. eta vs tors. theta energy: -13.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -218.955720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.955720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.955720 (E_RNA) where: Base-Base interactions energy: -150.285 where: short stacking energy: -66.033 Base-Backbone interact. energy: -0.425 local terms energy: -68.245365 where: bonds (distance) C4'-P energy: -12.150 bonds (distance) P-C4' energy: -17.340 flat angles C4'-P-C4' energy: -13.317 flat angles P-C4'-P energy: -11.040 tors. eta vs tors. theta energy: -14.398 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: 10 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -211.028081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.028081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.028081 (E_RNA) where: Base-Base interactions energy: -142.670 where: short stacking energy: -60.441 Base-Backbone interact. energy: -0.341 local terms energy: -68.016931 where: bonds (distance) C4'-P energy: -15.441 bonds (distance) P-C4' energy: -14.168 flat angles C4'-P-C4' energy: -14.555 flat angles P-C4'-P energy: -9.666 tors. eta vs tors. theta energy: -14.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -194.933893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.933893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.933893 (E_RNA) where: Base-Base interactions energy: -129.248 where: short stacking energy: -54.426 Base-Backbone interact. energy: -0.376 local terms energy: -65.310455 where: bonds (distance) C4'-P energy: -13.012 bonds (distance) P-C4' energy: -16.392 flat angles C4'-P-C4' energy: -14.076 flat angles P-C4'-P energy: -8.090 tors. eta vs tors. theta energy: -13.740 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: 5, replica: 4 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -171.526873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.526873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.526873 (E_RNA) where: Base-Base interactions energy: -105.605 where: short stacking energy: -49.414 Base-Backbone interact. energy: -0.120 local terms energy: -65.802422 where: bonds (distance) C4'-P energy: -14.713 bonds (distance) P-C4' energy: -12.729 flat angles C4'-P-C4' energy: -14.952 flat angles P-C4'-P energy: -12.560 tors. eta vs tors. theta energy: -10.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -166.162957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.162957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.162957 (E_RNA) where: Base-Base interactions energy: -108.129 where: short stacking energy: -56.996 Base-Backbone interact. energy: -0.001 local terms energy: -58.032992 where: bonds (distance) C4'-P energy: -8.901 bonds (distance) P-C4' energy: -13.998 flat angles C4'-P-C4' energy: -13.387 flat angles P-C4'-P energy: -6.842 tors. eta vs tors. theta energy: -14.905 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: 7, replica: 8 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -167.408787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.408787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.408787 (E_RNA) where: Base-Base interactions energy: -112.639 where: short stacking energy: -61.277 Base-Backbone interact. energy: -0.001 local terms energy: -54.768966 where: bonds (distance) C4'-P energy: -9.964 bonds (distance) P-C4' energy: -10.631 flat angles C4'-P-C4' energy: -11.273 flat angles P-C4'-P energy: -6.581 tors. eta vs tors. theta energy: -16.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -164.971096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.971096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.971096 (E_RNA) where: Base-Base interactions energy: -101.984 where: short stacking energy: -45.870 Base-Backbone interact. energy: -0.403 local terms energy: -62.584045 where: bonds (distance) C4'-P energy: -14.224 bonds (distance) P-C4' energy: -13.188 flat angles C4'-P-C4' energy: -15.818 flat angles P-C4'-P energy: -7.783 tors. eta vs tors. theta energy: -11.570 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: 6 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -86.606310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.606310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.606310 (E_RNA) where: Base-Base interactions energy: -39.163 where: short stacking energy: -39.163 Base-Backbone interact. energy: -0.012 local terms energy: -47.431498 where: bonds (distance) C4'-P energy: -11.596 bonds (distance) P-C4' energy: -12.417 flat angles C4'-P-C4' energy: -8.278 flat angles P-C4'-P energy: -7.361 tors. eta vs tors. theta energy: -7.780 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: 10, replica: 3 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -75.236985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.236985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.236985 (E_RNA) where: Base-Base interactions energy: -28.264 where: short stacking energy: -26.571 Base-Backbone interact. energy: 0.635 local terms energy: -47.608022 where: bonds (distance) C4'-P energy: -10.875 bonds (distance) P-C4' energy: -9.093 flat angles C4'-P-C4' energy: -13.147 flat angles P-C4'-P energy: -8.978 tors. eta vs tors. theta energy: -5.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -220.704174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.704174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.704174 (E_RNA) where: Base-Base interactions energy: -154.591 where: short stacking energy: -66.528 Base-Backbone interact. energy: -0.109 local terms energy: -66.003843 where: bonds (distance) C4'-P energy: -14.240 bonds (distance) P-C4' energy: -10.541 flat angles C4'-P-C4' energy: -15.031 flat angles P-C4'-P energy: -7.605 tors. eta vs tors. theta energy: -18.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -201.566942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.566942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.566942 (E_RNA) where: Base-Base interactions energy: -133.686 where: short stacking energy: -62.824 Base-Backbone interact. energy: -0.017 local terms energy: -67.863743 where: bonds (distance) C4'-P energy: -15.027 bonds (distance) P-C4' energy: -16.783 flat angles C4'-P-C4' energy: -14.533 flat angles P-C4'-P energy: -5.324 tors. eta vs tors. theta energy: -16.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -201.751421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.751421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.751421 (E_RNA) where: Base-Base interactions energy: -134.344 where: short stacking energy: -56.317 Base-Backbone interact. energy: -0.033 local terms energy: -67.374937 where: bonds (distance) C4'-P energy: -12.990 bonds (distance) P-C4' energy: -14.233 flat angles C4'-P-C4' energy: -14.346 flat angles P-C4'-P energy: -9.512 tors. eta vs tors. theta energy: -16.294 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: 4, replica: 10 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -205.733973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.733973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.733973 (E_RNA) where: Base-Base interactions energy: -139.893 where: short stacking energy: -67.666 Base-Backbone interact. energy: -0.073 local terms energy: -65.768300 where: bonds (distance) C4'-P energy: -11.790 bonds (distance) P-C4' energy: -15.745 flat angles C4'-P-C4' energy: -16.020 flat angles P-C4'-P energy: -6.843 tors. eta vs tors. theta energy: -15.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -199.958844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.958844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.958844 (E_RNA) where: Base-Base interactions energy: -132.774 where: short stacking energy: -59.340 Base-Backbone interact. energy: -0.095 local terms energy: -67.089341 where: bonds (distance) C4'-P energy: -12.702 bonds (distance) P-C4' energy: -13.759 flat angles C4'-P-C4' energy: -14.907 flat angles P-C4'-P energy: -7.303 tors. eta vs tors. theta energy: -18.419 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: 5 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -169.465770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.465770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.465770 (E_RNA) where: Base-Base interactions energy: -112.468 where: short stacking energy: -53.996 Base-Backbone interact. energy: -0.022 local terms energy: -56.975886 where: bonds (distance) C4'-P energy: -9.227 bonds (distance) P-C4' energy: -16.483 flat angles C4'-P-C4' energy: -11.765 flat angles P-C4'-P energy: -6.624 tors. eta vs tors. theta energy: -12.876 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: 7, replica: 2 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -180.002930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.002930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.002930 (E_RNA) where: Base-Base interactions energy: -113.572 where: short stacking energy: -54.230 Base-Backbone interact. energy: -0.523 local terms energy: -65.908032 where: bonds (distance) C4'-P energy: -13.806 bonds (distance) P-C4' energy: -13.214 flat angles C4'-P-C4' energy: -14.125 flat angles P-C4'-P energy: -12.144 tors. eta vs tors. theta energy: -12.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -141.521829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.521829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.521829 (E_RNA) where: Base-Base interactions energy: -90.325 where: short stacking energy: -33.001 Base-Backbone interact. energy: -0.728 local terms energy: -50.468674 where: bonds (distance) C4'-P energy: -13.720 bonds (distance) P-C4' energy: -10.453 flat angles C4'-P-C4' energy: -13.696 flat angles P-C4'-P energy: -7.225 tors. eta vs tors. theta energy: -5.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -130.799836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.799836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.799836 (E_RNA) where: Base-Base interactions energy: -75.397 where: short stacking energy: -46.035 Base-Backbone interact. energy: -0.053 local terms energy: -55.349703 where: bonds (distance) C4'-P energy: -12.216 bonds (distance) P-C4' energy: -13.857 flat angles C4'-P-C4' energy: -11.611 flat angles P-C4'-P energy: -6.572 tors. eta vs tors. theta energy: -11.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -81.443296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.443296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.443296 (E_RNA) where: Base-Base interactions energy: -38.137 where: short stacking energy: -22.419 Base-Backbone interact. energy: 1.709 local terms energy: -45.015476 where: bonds (distance) C4'-P energy: -11.879 bonds (distance) P-C4' energy: -12.567 flat angles C4'-P-C4' energy: -14.105 flat angles P-C4'-P energy: -6.819 tors. eta vs tors. theta energy: 0.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -222.431022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.431022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.431022 (E_RNA) where: Base-Base interactions energy: -149.639 where: short stacking energy: -66.260 Base-Backbone interact. energy: -0.613 local terms energy: -72.179079 where: bonds (distance) C4'-P energy: -12.402 bonds (distance) P-C4' energy: -15.079 flat angles C4'-P-C4' energy: -15.753 flat angles P-C4'-P energy: -9.948 tors. eta vs tors. theta energy: -18.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -195.322066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.322066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.322066 (E_RNA) where: Base-Base interactions energy: -129.213 where: short stacking energy: -69.926 Base-Backbone interact. energy: -0.032 local terms energy: -66.077026 where: bonds (distance) C4'-P energy: -9.024 bonds (distance) P-C4' energy: -14.401 flat angles C4'-P-C4' energy: -14.746 flat angles P-C4'-P energy: -10.110 tors. eta vs tors. theta energy: -17.797 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: 3, replica: 9 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -197.950816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.950816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.950816 (E_RNA) where: Base-Base interactions energy: -126.517 where: short stacking energy: -54.861 Base-Backbone interact. energy: -0.684 local terms energy: -70.750199 where: bonds (distance) C4'-P energy: -14.494 bonds (distance) P-C4' energy: -14.247 flat angles C4'-P-C4' energy: -16.546 flat angles P-C4'-P energy: -12.125 tors. eta vs tors. theta energy: -13.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -196.690331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.690331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.690331 (E_RNA) where: Base-Base interactions energy: -137.319 where: short stacking energy: -62.579 Base-Backbone interact. energy: 0.416 local terms energy: -59.787765 where: bonds (distance) C4'-P energy: -13.302 bonds (distance) P-C4' energy: -13.254 flat angles C4'-P-C4' energy: -9.752 flat angles P-C4'-P energy: -6.896 tors. eta vs tors. theta energy: -16.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -203.835218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.835218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.835218 (E_RNA) where: Base-Base interactions energy: -138.918 where: short stacking energy: -52.813 Base-Backbone interact. energy: -0.278 local terms energy: -64.638779 where: bonds (distance) C4'-P energy: -13.392 bonds (distance) P-C4' energy: -12.045 flat angles C4'-P-C4' energy: -15.906 flat angles P-C4'-P energy: -7.833 tors. eta vs tors. theta energy: -15.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -185.586726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.586726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.586726 (E_RNA) where: Base-Base interactions energy: -128.632 where: short stacking energy: -51.844 Base-Backbone interact. energy: -0.046 local terms energy: -56.908718 where: bonds (distance) C4'-P energy: -15.217 bonds (distance) P-C4' energy: -14.038 flat angles C4'-P-C4' energy: -11.574 flat angles P-C4'-P energy: -7.409 tors. eta vs tors. theta energy: -8.670 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: 7, replica: 5 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -167.527200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.527200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.527200 (E_RNA) where: Base-Base interactions energy: -109.393 where: short stacking energy: -52.454 Base-Backbone interact. energy: -0.044 local terms energy: -58.089721 where: bonds (distance) C4'-P energy: -11.835 bonds (distance) P-C4' energy: -10.386 flat angles C4'-P-C4' energy: -12.191 flat angles P-C4'-P energy: -9.849 tors. eta vs tors. theta energy: -13.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -135.735728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.735728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.735728 (E_RNA) where: Base-Base interactions energy: -80.205 where: short stacking energy: -44.624 Base-Backbone interact. energy: -0.039 local terms energy: -55.491856 where: bonds (distance) C4'-P energy: -13.757 bonds (distance) P-C4' energy: -14.407 flat angles C4'-P-C4' energy: -11.155 flat angles P-C4'-P energy: -7.736 tors. eta vs tors. theta energy: -8.437 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: 3 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -95.283346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.283346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.283346 (E_RNA) where: Base-Base interactions energy: -52.202 where: short stacking energy: -23.492 Base-Backbone interact. energy: 1.255 local terms energy: -44.336640 where: bonds (distance) C4'-P energy: -13.181 bonds (distance) P-C4' energy: -13.507 flat angles C4'-P-C4' energy: -8.224 flat angles P-C4'-P energy: -8.114 tors. eta vs tors. theta energy: -1.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -80.151023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.151023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.151023 (E_RNA) where: Base-Base interactions energy: -29.572 where: short stacking energy: -21.890 Base-Backbone interact. energy: 0.363 local terms energy: -50.942053 where: bonds (distance) C4'-P energy: -15.939 bonds (distance) P-C4' energy: -14.750 flat angles C4'-P-C4' energy: -7.955 flat angles P-C4'-P energy: -9.505 tors. eta vs tors. theta energy: -2.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -211.955171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.955171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.955171 (E_RNA) where: Base-Base interactions energy: -140.897 where: short stacking energy: -61.569 Base-Backbone interact. energy: -0.001 local terms energy: -71.056686 where: bonds (distance) C4'-P energy: -14.696 bonds (distance) P-C4' energy: -16.082 flat angles C4'-P-C4' energy: -15.711 flat angles P-C4'-P energy: -8.935 tors. eta vs tors. theta energy: -15.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -216.195771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.195771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.195771 (E_RNA) where: Base-Base interactions energy: -144.849 where: short stacking energy: -69.135 Base-Backbone interact. energy: -0.532 local terms energy: -70.815203 where: bonds (distance) C4'-P energy: -14.378 bonds (distance) P-C4' energy: -16.258 flat angles C4'-P-C4' energy: -14.496 flat angles P-C4'-P energy: -7.336 tors. eta vs tors. theta energy: -18.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -209.375533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.375533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.375533 (E_RNA) where: Base-Base interactions energy: -139.773 where: short stacking energy: -68.326 Base-Backbone interact. energy: -0.958 local terms energy: -68.644482 where: bonds (distance) C4'-P energy: -13.586 bonds (distance) P-C4' energy: -16.470 flat angles C4'-P-C4' energy: -14.165 flat angles P-C4'-P energy: -9.484 tors. eta vs tors. theta energy: -14.939 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: 9 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -191.312637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.312637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.312637 (E_RNA) where: Base-Base interactions energy: -117.112 where: short stacking energy: -52.714 Base-Backbone interact. energy: -0.498 local terms energy: -73.703594 where: bonds (distance) C4'-P energy: -15.851 bonds (distance) P-C4' energy: -15.060 flat angles C4'-P-C4' energy: -16.270 flat angles P-C4'-P energy: -12.488 tors. eta vs tors. theta energy: -14.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -196.929582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.929582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.929582 (E_RNA) where: Base-Base interactions energy: -126.773 where: short stacking energy: -57.237 Base-Backbone interact. energy: -0.081 local terms energy: -70.075585 where: bonds (distance) C4'-P energy: -13.293 bonds (distance) P-C4' energy: -13.793 flat angles C4'-P-C4' energy: -15.387 flat angles P-C4'-P energy: -11.108 tors. eta vs tors. theta energy: -16.494 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: 2 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -180.858854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.858854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.858854 (E_RNA) where: Base-Base interactions energy: -121.611 where: short stacking energy: -46.848 Base-Backbone interact. energy: -0.025 local terms energy: -59.222612 where: bonds (distance) C4'-P energy: -14.075 bonds (distance) P-C4' energy: -12.496 flat angles C4'-P-C4' energy: -15.519 flat angles P-C4'-P energy: -6.974 tors. eta vs tors. theta energy: -10.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -160.179476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.179476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.179476 (E_RNA) where: Base-Base interactions energy: -108.438 where: short stacking energy: -40.269 Base-Backbone interact. energy: -0.109 local terms energy: -51.632866 where: bonds (distance) C4'-P energy: -11.093 bonds (distance) P-C4' energy: -11.985 flat angles C4'-P-C4' energy: -13.477 flat angles P-C4'-P energy: -7.180 tors. eta vs tors. theta energy: -7.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -119.131564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.131564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.131564 (E_RNA) where: Base-Base interactions energy: -70.879 where: short stacking energy: -27.869 Base-Backbone interact. energy: -0.191 local terms energy: -48.061583 where: bonds (distance) C4'-P energy: -13.478 bonds (distance) P-C4' energy: -14.352 flat angles C4'-P-C4' energy: -11.282 flat angles P-C4'-P energy: -6.641 tors. eta vs tors. theta energy: -2.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -83.672069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.672069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.672069 (E_RNA) where: Base-Base interactions energy: -35.585 where: short stacking energy: -34.398 Base-Backbone interact. energy: -0.049 local terms energy: -48.037795 where: bonds (distance) C4'-P energy: -15.835 bonds (distance) P-C4' energy: -12.874 flat angles C4'-P-C4' energy: -13.112 flat angles P-C4'-P energy: -5.524 tors. eta vs tors. theta energy: -0.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -87.997810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.997810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.997810 (E_RNA) where: Base-Base interactions energy: -35.955 where: short stacking energy: -35.955 Base-Backbone interact. energy: 2.446 local terms energy: -54.488708 where: bonds (distance) C4'-P energy: -11.835 bonds (distance) P-C4' energy: -15.247 flat angles C4'-P-C4' energy: -12.329 flat angles P-C4'-P energy: -8.349 tors. eta vs tors. theta energy: -6.729 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: 1 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -221.575536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.575536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.575536 (E_RNA) where: Base-Base interactions energy: -150.923 where: short stacking energy: -72.145 Base-Backbone interact. energy: 1.112 local terms energy: -71.764526 where: bonds (distance) C4'-P energy: -14.029 bonds (distance) P-C4' energy: -14.842 flat angles C4'-P-C4' energy: -16.068 flat angles P-C4'-P energy: -8.790 tors. eta vs tors. theta energy: -18.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -217.969089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.969089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.969089 (E_RNA) where: Base-Base interactions energy: -155.922 where: short stacking energy: -62.496 Base-Backbone interact. energy: -0.504 local terms energy: -61.543173 where: bonds (distance) C4'-P energy: -11.918 bonds (distance) P-C4' energy: -13.501 flat angles C4'-P-C4' energy: -16.789 flat angles P-C4'-P energy: -1.193 tors. eta vs tors. theta energy: -18.142 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: 7 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -213.738965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.738965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.738965 (E_RNA) where: Base-Base interactions energy: -149.853 where: short stacking energy: -67.328 Base-Backbone interact. energy: -0.405 local terms energy: -63.480694 where: bonds (distance) C4'-P energy: -11.032 bonds (distance) P-C4' energy: -14.023 flat angles C4'-P-C4' energy: -15.064 flat angles P-C4'-P energy: -5.961 tors. eta vs tors. theta energy: -17.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -204.250481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.250481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.250481 (E_RNA) where: Base-Base interactions energy: -135.547 where: short stacking energy: -59.492 Base-Backbone interact. energy: -1.113 local terms energy: -67.590404 where: bonds (distance) C4'-P energy: -13.681 bonds (distance) P-C4' energy: -14.364 flat angles C4'-P-C4' energy: -13.760 flat angles P-C4'-P energy: -12.369 tors. eta vs tors. theta energy: -13.416 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: 9 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -187.428435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.428435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.428435 (E_RNA) where: Base-Base interactions energy: -125.349 where: short stacking energy: -56.057 Base-Backbone interact. energy: -0.099 local terms energy: -61.980889 where: bonds (distance) C4'-P energy: -12.816 bonds (distance) P-C4' energy: -14.680 flat angles C4'-P-C4' energy: -15.206 flat angles P-C4'-P energy: -4.256 tors. eta vs tors. theta energy: -15.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -189.485173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.485173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.485173 (E_RNA) where: Base-Base interactions energy: -129.603 where: short stacking energy: -68.012 Base-Backbone interact. energy: -0.022 local terms energy: -59.860250 where: bonds (distance) C4'-P energy: -9.247 bonds (distance) P-C4' energy: -12.810 flat angles C4'-P-C4' energy: -14.799 flat angles P-C4'-P energy: -5.064 tors. eta vs tors. theta energy: -17.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -171.978329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.978329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.978329 (E_RNA) where: Base-Base interactions energy: -115.099 where: short stacking energy: -63.298 Base-Backbone interact. energy: -0.030 local terms energy: -56.849754 where: bonds (distance) C4'-P energy: -9.789 bonds (distance) P-C4' energy: -9.955 flat angles C4'-P-C4' energy: -15.284 flat angles P-C4'-P energy: -9.918 tors. eta vs tors. theta energy: -11.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -89.663186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.663186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.663186 (E_RNA) where: Base-Base interactions energy: -38.252 where: short stacking energy: -37.575 Base-Backbone interact. energy: -0.149 local terms energy: -51.262647 where: bonds (distance) C4'-P energy: -12.029 bonds (distance) P-C4' energy: -13.032 flat angles C4'-P-C4' energy: -10.040 flat angles P-C4'-P energy: -11.415 tors. eta vs tors. theta energy: -4.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -79.334747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.334747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.334747 (E_RNA) where: Base-Base interactions energy: -29.523 where: short stacking energy: -28.125 Base-Backbone interact. energy: -0.508 local terms energy: -49.303601 where: bonds (distance) C4'-P energy: -14.261 bonds (distance) P-C4' energy: -12.570 flat angles C4'-P-C4' energy: -8.300 flat angles P-C4'-P energy: -6.612 tors. eta vs tors. theta energy: -7.560 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: 3 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -85.163270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.163270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.163270 (E_RNA) where: Base-Base interactions energy: -40.885 where: short stacking energy: -23.403 Base-Backbone interact. energy: -0.802 local terms energy: -43.475670 where: bonds (distance) C4'-P energy: -7.612 bonds (distance) P-C4' energy: -12.885 flat angles C4'-P-C4' energy: -16.778 flat angles P-C4'-P energy: -3.987 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: 1, replica: 4 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -220.711947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.711947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.711947 (E_RNA) where: Base-Base interactions energy: -153.772 where: short stacking energy: -68.744 Base-Backbone interact. energy: -0.084 local terms energy: -66.856785 where: bonds (distance) C4'-P energy: -10.738 bonds (distance) P-C4' energy: -15.388 flat angles C4'-P-C4' energy: -15.247 flat angles P-C4'-P energy: -8.246 tors. eta vs tors. theta energy: -17.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -217.767726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.767726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.767726 (E_RNA) where: Base-Base interactions energy: -142.766 where: short stacking energy: -70.862 Base-Backbone interact. energy: -0.002 local terms energy: -74.999420 where: bonds (distance) C4'-P energy: -14.323 bonds (distance) P-C4' energy: -15.539 flat angles C4'-P-C4' energy: -16.094 flat angles P-C4'-P energy: -11.485 tors. eta vs tors. theta energy: -17.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -203.273607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.273607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.273607 (E_RNA) where: Base-Base interactions energy: -136.090 where: short stacking energy: -57.338 Base-Backbone interact. energy: -0.366 local terms energy: -66.817182 where: bonds (distance) C4'-P energy: -14.293 bonds (distance) P-C4' energy: -13.511 flat angles C4'-P-C4' energy: -13.851 flat angles P-C4'-P energy: -11.020 tors. eta vs tors. theta energy: -14.142 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: 7 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -208.693299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.693299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.693299 (E_RNA) where: Base-Base interactions energy: -141.120 where: short stacking energy: -55.315 Base-Backbone interact. energy: -0.212 local terms energy: -67.361276 where: bonds (distance) C4'-P energy: -12.416 bonds (distance) P-C4' energy: -16.958 flat angles C4'-P-C4' energy: -15.903 flat angles P-C4'-P energy: -7.005 tors. eta vs tors. theta energy: -15.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -199.146138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.146138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.146138 (E_RNA) where: Base-Base interactions energy: -125.663 where: short stacking energy: -56.075 Base-Backbone interact. energy: -0.081 local terms energy: -73.402426 where: bonds (distance) C4'-P energy: -15.885 bonds (distance) P-C4' energy: -13.898 flat angles C4'-P-C4' energy: -15.293 flat angles P-C4'-P energy: -9.530 tors. eta vs tors. theta energy: -18.797 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: 6, replica: 9 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -171.509277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.509277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.509277 (E_RNA) where: Base-Base interactions energy: -112.510 where: short stacking energy: -43.528 Base-Backbone interact. energy: -0.077 local terms energy: -58.922099 where: bonds (distance) C4'-P energy: -11.264 bonds (distance) P-C4' energy: -16.376 flat angles C4'-P-C4' energy: -16.971 flat angles P-C4'-P energy: -5.044 tors. eta vs tors. theta energy: -9.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -174.793457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.793457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.793457 (E_RNA) where: Base-Base interactions energy: -113.755 where: short stacking energy: -57.371 Base-Backbone interact. energy: -0.003 local terms energy: -61.035485 where: bonds (distance) C4'-P energy: -7.932 bonds (distance) P-C4' energy: -10.936 flat angles C4'-P-C4' energy: -15.803 flat angles P-C4'-P energy: -10.115 tors. eta vs tors. theta energy: -16.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -92.353159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.353159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.353159 (E_RNA) where: Base-Base interactions energy: -39.889 where: short stacking energy: -38.849 Base-Backbone interact. energy: -0.341 local terms energy: -52.123188 where: bonds (distance) C4'-P energy: -14.014 bonds (distance) P-C4' energy: -11.936 flat angles C4'-P-C4' energy: -10.392 flat angles P-C4'-P energy: -7.033 tors. eta vs tors. theta energy: -8.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -73.753046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.753046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.753046 (E_RNA) where: Base-Base interactions energy: -23.488 where: short stacking energy: -20.947 Base-Backbone interact. energy: -0.050 local terms energy: -50.215031 where: bonds (distance) C4'-P energy: -15.010 bonds (distance) P-C4' energy: -14.581 flat angles C4'-P-C4' energy: -12.981 flat angles P-C4'-P energy: -9.495 tors. eta vs tors. theta energy: 1.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -84.828178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.828178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.828178 (E_RNA) where: Base-Base interactions energy: -38.071 where: short stacking energy: -28.702 Base-Backbone interact. energy: 0.865 local terms energy: -47.622109 where: bonds (distance) C4'-P energy: -12.684 bonds (distance) P-C4' energy: -15.834 flat angles C4'-P-C4' energy: -8.822 flat angles P-C4'-P energy: -10.147 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: 4 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -210.899981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.899981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.899981 (E_RNA) where: Base-Base interactions energy: -140.155 where: short stacking energy: -61.089 Base-Backbone interact. energy: 0.528 local terms energy: -71.273015 where: bonds (distance) C4'-P energy: -16.327 bonds (distance) P-C4' energy: -16.336 flat angles C4'-P-C4' energy: -13.302 flat angles P-C4'-P energy: -9.409 tors. eta vs tors. theta energy: -15.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -216.686918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.686918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.686918 (E_RNA) where: Base-Base interactions energy: -145.010 where: short stacking energy: -60.245 Base-Backbone interact. energy: -0.002 local terms energy: -71.675366 where: bonds (distance) C4'-P energy: -16.960 bonds (distance) P-C4' energy: -14.681 flat angles C4'-P-C4' energy: -14.327 flat angles P-C4'-P energy: -8.638 tors. eta vs tors. theta energy: -17.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -213.675598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.675598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.675598 (E_RNA) where: Base-Base interactions energy: -142.452 where: short stacking energy: -70.402 Base-Backbone interact. energy: -0.004 local terms energy: -71.219412 where: bonds (distance) C4'-P energy: -12.199 bonds (distance) P-C4' energy: -15.511 flat angles C4'-P-C4' energy: -15.498 flat angles P-C4'-P energy: -10.719 tors. eta vs tors. theta energy: -17.292 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: 7 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -204.825553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.825553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.825553 (E_RNA) where: Base-Base interactions energy: -141.874 where: short stacking energy: -55.418 Base-Backbone interact. energy: -0.177 local terms energy: -62.773985 where: bonds (distance) C4'-P energy: -15.218 bonds (distance) P-C4' energy: -15.466 flat angles C4'-P-C4' energy: -12.066 flat angles P-C4'-P energy: -11.028 tors. eta vs tors. theta energy: -8.996 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: 8 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -194.813878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.813878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.813878 (E_RNA) where: Base-Base interactions energy: -135.605 where: short stacking energy: -55.868 Base-Backbone interact. energy: -0.597 local terms energy: -58.612241 where: bonds (distance) C4'-P energy: -12.452 bonds (distance) P-C4' energy: -11.035 flat angles C4'-P-C4' energy: -12.798 flat angles P-C4'-P energy: -8.833 tors. eta vs tors. theta energy: -13.494 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: 2 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -188.258247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.258247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.258247 (E_RNA) where: Base-Base interactions energy: -119.041 where: short stacking energy: -43.232 Base-Backbone interact. energy: -0.102 local terms energy: -69.116141 where: bonds (distance) C4'-P energy: -17.531 bonds (distance) P-C4' energy: -16.886 flat angles C4'-P-C4' energy: -12.482 flat angles P-C4'-P energy: -11.026 tors. eta vs tors. theta energy: -11.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -175.091840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.091840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.091840 (E_RNA) where: Base-Base interactions energy: -123.249 where: short stacking energy: -50.298 Base-Backbone interact. energy: -0.669 local terms energy: -51.174260 where: bonds (distance) C4'-P energy: -7.405 bonds (distance) P-C4' energy: -11.519 flat angles C4'-P-C4' energy: -15.041 flat angles P-C4'-P energy: -7.967 tors. eta vs tors. theta energy: -9.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -82.350108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.350108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.350108 (E_RNA) where: Base-Base interactions energy: -29.662 where: short stacking energy: -23.590 Base-Backbone interact. energy: -0.130 local terms energy: -52.558603 where: bonds (distance) C4'-P energy: -12.448 bonds (distance) P-C4' energy: -11.145 flat angles C4'-P-C4' energy: -13.764 flat angles P-C4'-P energy: -9.252 tors. eta vs tors. theta energy: -5.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -81.980396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.980396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.980396 (E_RNA) where: Base-Base interactions energy: -41.038 where: short stacking energy: -29.077 Base-Backbone interact. energy: -0.080 local terms energy: -40.862771 where: bonds (distance) C4'-P energy: -9.737 bonds (distance) P-C4' energy: -17.231 flat angles C4'-P-C4' energy: -10.742 flat angles P-C4'-P energy: -3.430 tors. eta vs tors. theta energy: 0.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -84.247334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.247334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.247334 (E_RNA) where: Base-Base interactions energy: -31.648 where: short stacking energy: -29.741 Base-Backbone interact. energy: 0.402 local terms energy: -53.000958 where: bonds (distance) C4'-P energy: -9.820 bonds (distance) P-C4' energy: -13.032 flat angles C4'-P-C4' energy: -11.950 flat angles P-C4'-P energy: -7.717 tors. eta vs tors. theta energy: -10.482 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: 10 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -223.256163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.256163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.256163 (E_RNA) where: Base-Base interactions energy: -153.746 where: short stacking energy: -68.784 Base-Backbone interact. energy: -0.100 local terms energy: -69.409857 where: bonds (distance) C4'-P energy: -15.913 bonds (distance) P-C4' energy: -11.633 flat angles C4'-P-C4' energy: -15.770 flat angles P-C4'-P energy: -7.960 tors. eta vs tors. theta energy: -18.134 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: 4 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -222.807707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.807707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.807707 (E_RNA) where: Base-Base interactions energy: -150.935 where: short stacking energy: -70.395 Base-Backbone interact. energy: -0.567 local terms energy: -71.304995 where: bonds (distance) C4'-P energy: -12.378 bonds (distance) P-C4' energy: -15.399 flat angles C4'-P-C4' energy: -15.226 flat angles P-C4'-P energy: -10.556 tors. eta vs tors. theta energy: -17.746 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: 7 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -204.861209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.861209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.861209 (E_RNA) where: Base-Base interactions energy: -141.465 where: short stacking energy: -60.430 Base-Backbone interact. energy: -0.268 local terms energy: -63.127803 where: bonds (distance) C4'-P energy: -16.828 bonds (distance) P-C4' energy: -13.859 flat angles C4'-P-C4' energy: -15.085 flat angles P-C4'-P energy: -4.095 tors. eta vs tors. theta energy: -13.261 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: 4, replica: 1 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -202.343606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.343606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.343606 (E_RNA) where: Base-Base interactions energy: -134.302 where: short stacking energy: -62.006 Base-Backbone interact. energy: -0.091 local terms energy: -67.950520 where: bonds (distance) C4'-P energy: -14.311 bonds (distance) P-C4' energy: -13.234 flat angles C4'-P-C4' energy: -15.934 flat angles P-C4'-P energy: -7.605 tors. eta vs tors. theta energy: -16.867 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: 5, replica: 2 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -187.279155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.279155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.279155 (E_RNA) where: Base-Base interactions energy: -123.530 where: short stacking energy: -51.638 Base-Backbone interact. energy: -0.001 local terms energy: -63.748560 where: bonds (distance) C4'-P energy: -13.308 bonds (distance) P-C4' energy: -12.160 flat angles C4'-P-C4' energy: -13.411 flat angles P-C4'-P energy: -6.976 tors. eta vs tors. theta energy: -17.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -175.215476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.215476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.215476 (E_RNA) where: Base-Base interactions energy: -120.184 where: short stacking energy: -46.259 Base-Backbone interact. energy: -0.097 local terms energy: -54.934541 where: bonds (distance) C4'-P energy: -12.714 bonds (distance) P-C4' energy: -14.383 flat angles C4'-P-C4' energy: -13.420 flat angles P-C4'-P energy: -4.437 tors. eta vs tors. theta energy: -9.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -170.312928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.312928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.312928 (E_RNA) where: Base-Base interactions energy: -119.210 where: short stacking energy: -40.736 Base-Backbone interact. energy: -1.187 local terms energy: -49.915764 where: bonds (distance) C4'-P energy: -10.639 bonds (distance) P-C4' energy: -14.052 flat angles C4'-P-C4' energy: -10.335 flat angles P-C4'-P energy: -3.524 tors. eta vs tors. theta energy: -11.366 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: 6 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -122.674348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.674348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.674348 (E_RNA) where: Base-Base interactions energy: -78.113 where: short stacking energy: -32.594 Base-Backbone interact. energy: -0.418 local terms energy: -44.143435 where: bonds (distance) C4'-P energy: -14.258 bonds (distance) P-C4' energy: -11.275 flat angles C4'-P-C4' energy: -12.701 flat angles P-C4'-P energy: 0.095 tors. eta vs tors. theta energy: -6.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -77.589320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.589320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.589320 (E_RNA) where: Base-Base interactions energy: -37.479 where: short stacking energy: -18.341 Base-Backbone interact. energy: -0.480 local terms energy: -39.630656 where: bonds (distance) C4'-P energy: -10.519 bonds (distance) P-C4' energy: -13.642 flat angles C4'-P-C4' energy: -9.504 flat angles P-C4'-P energy: -6.550 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: 10, replica: 5 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -78.831078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.831078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.831078 (E_RNA) where: Base-Base interactions energy: -33.098 where: short stacking energy: -33.098 Base-Backbone interact. energy: -0.037 local terms energy: -45.696242 where: bonds (distance) C4'-P energy: -11.233 bonds (distance) P-C4' energy: -10.964 flat angles C4'-P-C4' energy: -10.639 flat angles P-C4'-P energy: -5.533 tors. eta vs tors. theta energy: -7.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -219.749031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.749031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.749031 (E_RNA) where: Base-Base interactions energy: -148.580 where: short stacking energy: -66.504 Base-Backbone interact. energy: -0.877 local terms energy: -70.291948 where: bonds (distance) C4'-P energy: -16.579 bonds (distance) P-C4' energy: -12.084 flat angles C4'-P-C4' energy: -15.213 flat angles P-C4'-P energy: -9.994 tors. eta vs tors. theta energy: -16.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -205.218137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.218137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.218137 (E_RNA) where: Base-Base interactions energy: -145.647 where: short stacking energy: -63.453 Base-Backbone interact. energy: -0.635 local terms energy: -58.936684 where: bonds (distance) C4'-P energy: -12.763 bonds (distance) P-C4' energy: -14.764 flat angles C4'-P-C4' energy: -14.058 flat angles P-C4'-P energy: -5.372 tors. eta vs tors. theta energy: -11.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -202.920597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.920597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.920597 (E_RNA) where: Base-Base interactions energy: -132.620 where: short stacking energy: -69.137 Base-Backbone interact. energy: -0.150 local terms energy: -70.150523 where: bonds (distance) C4'-P energy: -15.077 bonds (distance) P-C4' energy: -13.483 flat angles C4'-P-C4' energy: -14.464 flat angles P-C4'-P energy: -9.568 tors. eta vs tors. theta energy: -17.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -198.563166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.563166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.563166 (E_RNA) where: Base-Base interactions energy: -132.403 where: short stacking energy: -59.853 Base-Backbone interact. energy: -0.066 local terms energy: -66.094044 where: bonds (distance) C4'-P energy: -11.264 bonds (distance) P-C4' energy: -15.986 flat angles C4'-P-C4' energy: -12.376 flat angles P-C4'-P energy: -6.734 tors. eta vs tors. theta energy: -19.734 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: 5, replica: 1 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -177.014287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.014287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.014287 (E_RNA) where: Base-Base interactions energy: -114.520 where: short stacking energy: -55.369 Base-Backbone interact. energy: -0.155 local terms energy: -62.340045 where: bonds (distance) C4'-P energy: -13.881 bonds (distance) P-C4' energy: -15.139 flat angles C4'-P-C4' energy: -12.020 flat angles P-C4'-P energy: -5.919 tors. eta vs tors. theta energy: -15.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -184.473872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.473872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.473872 (E_RNA) where: Base-Base interactions energy: -125.016 where: short stacking energy: -49.715 Base-Backbone interact. energy: -0.794 local terms energy: -58.664566 where: bonds (distance) C4'-P energy: -14.481 bonds (distance) P-C4' energy: -10.018 flat angles C4'-P-C4' energy: -15.188 flat angles P-C4'-P energy: -4.437 tors. eta vs tors. theta energy: -14.541 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: 7, replica: 8 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -165.039039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.039039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.039039 (E_RNA) where: Base-Base interactions energy: -106.798 where: short stacking energy: -43.237 Base-Backbone interact. energy: -0.001 local terms energy: -58.240003 where: bonds (distance) C4'-P energy: -12.303 bonds (distance) P-C4' energy: -15.854 flat angles C4'-P-C4' energy: -6.489 flat angles P-C4'-P energy: -12.114 tors. eta vs tors. theta energy: -11.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -106.735021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.735021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.735021 (E_RNA) where: Base-Base interactions energy: -53.653 where: short stacking energy: -29.635 Base-Backbone interact. energy: 0.829 local terms energy: -53.911176 where: bonds (distance) C4'-P energy: -16.045 bonds (distance) P-C4' energy: -13.266 flat angles C4'-P-C4' energy: -15.975 flat angles P-C4'-P energy: -7.275 tors. eta vs tors. theta energy: -1.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -79.504202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.504202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.504202 (E_RNA) where: Base-Base interactions energy: -43.639 where: short stacking energy: -31.310 Base-Backbone interact. energy: 0.837 local terms energy: -36.702117 where: bonds (distance) C4'-P energy: -10.705 bonds (distance) P-C4' energy: -12.533 flat angles C4'-P-C4' energy: -10.281 flat angles P-C4'-P energy: -3.940 tors. eta vs tors. theta energy: 0.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -71.991734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.991734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.991734 (E_RNA) where: Base-Base interactions energy: -25.551 where: short stacking energy: -21.263 Base-Backbone interact. energy: -0.265 local terms energy: -46.176366 where: bonds (distance) C4'-P energy: -12.751 bonds (distance) P-C4' energy: -18.043 flat angles C4'-P-C4' energy: -12.614 flat angles P-C4'-P energy: -6.091 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: 10 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -218.838968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.838968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.838968 (E_RNA) where: Base-Base interactions energy: -148.339 where: short stacking energy: -64.963 Base-Backbone interact. energy: -0.001 local terms energy: -70.499612 where: bonds (distance) C4'-P energy: -13.300 bonds (distance) P-C4' energy: -17.044 flat angles C4'-P-C4' energy: -15.264 flat angles P-C4'-P energy: -6.084 tors. eta vs tors. theta energy: -18.808 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: 2, replica: 7 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -211.353580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.353580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.353580 (E_RNA) where: Base-Base interactions energy: -145.921 where: short stacking energy: -60.122 Base-Backbone interact. energy: -0.121 local terms energy: -65.311265 where: bonds (distance) C4'-P energy: -11.365 bonds (distance) P-C4' energy: -15.494 flat angles C4'-P-C4' energy: -16.132 flat angles P-C4'-P energy: -10.132 tors. eta vs tors. theta energy: -12.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -205.813726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.813726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.813726 (E_RNA) where: Base-Base interactions energy: -139.248 where: short stacking energy: -59.032 Base-Backbone interact. energy: -0.034 local terms energy: -66.532180 where: bonds (distance) C4'-P energy: -11.967 bonds (distance) P-C4' energy: -13.232 flat angles C4'-P-C4' energy: -16.316 flat angles P-C4'-P energy: -9.706 tors. eta vs tors. theta energy: -15.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -191.166024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.166024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.166024 (E_RNA) where: Base-Base interactions energy: -124.273 where: short stacking energy: -60.776 Base-Backbone interact. energy: -0.103 local terms energy: -66.790806 where: bonds (distance) C4'-P energy: -15.901 bonds (distance) P-C4' energy: -13.160 flat angles C4'-P-C4' energy: -15.163 flat angles P-C4'-P energy: -4.925 tors. eta vs tors. theta energy: -17.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -176.931339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.931339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.931339 (E_RNA) where: Base-Base interactions energy: -124.051 where: short stacking energy: -53.191 Base-Backbone interact. energy: -0.109 local terms energy: -52.770942 where: bonds (distance) C4'-P energy: -13.892 bonds (distance) P-C4' energy: -11.155 flat angles C4'-P-C4' energy: -13.683 flat angles P-C4'-P energy: -5.670 tors. eta vs tors. theta energy: -8.370 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: 6, replica: 1 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -194.694121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.694121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.694121 (E_RNA) where: Base-Base interactions energy: -127.980 where: short stacking energy: -60.433 Base-Backbone interact. energy: -0.127 local terms energy: -66.587053 where: bonds (distance) C4'-P energy: -13.942 bonds (distance) P-C4' energy: -13.790 flat angles C4'-P-C4' energy: -13.502 flat angles P-C4'-P energy: -6.130 tors. eta vs tors. theta energy: -19.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -180.942220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.942220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.942220 (E_RNA) where: Base-Base interactions energy: -122.757 where: short stacking energy: -53.900 Base-Backbone interact. energy: -0.320 local terms energy: -57.865167 where: bonds (distance) C4'-P energy: -11.306 bonds (distance) P-C4' energy: -12.870 flat angles C4'-P-C4' energy: -9.899 flat angles P-C4'-P energy: -7.956 tors. eta vs tors. theta energy: -15.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -92.876426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.876426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.876426 (E_RNA) where: Base-Base interactions energy: -40.780 where: short stacking energy: -30.786 Base-Backbone interact. energy: -0.085 local terms energy: -52.010996 where: bonds (distance) C4'-P energy: -12.486 bonds (distance) P-C4' energy: -15.713 flat angles C4'-P-C4' energy: -10.519 flat angles P-C4'-P energy: -10.125 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: 9, replica: 5 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -96.312503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.312503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.312503 (E_RNA) where: Base-Base interactions energy: -56.881 where: short stacking energy: -22.508 Base-Backbone interact. energy: -0.904 local terms energy: -38.527059 where: bonds (distance) C4'-P energy: -10.912 bonds (distance) P-C4' energy: -12.347 flat angles C4'-P-C4' energy: -4.648 flat angles P-C4'-P energy: -7.876 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: 10, replica: 3 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -83.745860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.745860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.745860 (E_RNA) where: Base-Base interactions energy: -35.135 where: short stacking energy: -33.006 Base-Backbone interact. energy: -1.192 local terms energy: -47.419084 where: bonds (distance) C4'-P energy: -11.012 bonds (distance) P-C4' energy: -14.656 flat angles C4'-P-C4' energy: -14.753 flat angles P-C4'-P energy: -5.571 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: 10 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -226.117544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.117544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.117544 (E_RNA) where: Base-Base interactions energy: -152.855 where: short stacking energy: -68.040 Base-Backbone interact. energy: -0.920 local terms energy: -72.343483 where: bonds (distance) C4'-P energy: -15.201 bonds (distance) P-C4' energy: -16.615 flat angles C4'-P-C4' energy: -14.741 flat angles P-C4'-P energy: -8.601 tors. eta vs tors. theta energy: -17.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -211.444404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.444404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.444404 (E_RNA) where: Base-Base interactions energy: -149.744 where: short stacking energy: -62.667 Base-Backbone interact. energy: -0.115 local terms energy: -61.585525 where: bonds (distance) C4'-P energy: -11.004 bonds (distance) P-C4' energy: -12.472 flat angles C4'-P-C4' energy: -12.887 flat angles P-C4'-P energy: -9.665 tors. eta vs tors. theta energy: -15.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -204.907991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.907991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.907991 (E_RNA) where: Base-Base interactions energy: -137.228 where: short stacking energy: -59.377 Base-Backbone interact. energy: -0.220 local terms energy: -67.459609 where: bonds (distance) C4'-P energy: -15.925 bonds (distance) P-C4' energy: -16.249 flat angles C4'-P-C4' energy: -13.459 flat angles P-C4'-P energy: -8.832 tors. eta vs tors. theta energy: -12.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -170.407052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.407052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.407052 (E_RNA) where: Base-Base interactions energy: -105.755 where: short stacking energy: -39.704 Base-Backbone interact. energy: -0.157 local terms energy: -64.495684 where: bonds (distance) C4'-P energy: -14.109 bonds (distance) P-C4' energy: -13.002 flat angles C4'-P-C4' energy: -14.626 flat angles P-C4'-P energy: -11.661 tors. eta vs tors. theta energy: -11.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -180.428342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.428342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.428342 (E_RNA) where: Base-Base interactions energy: -117.454 where: short stacking energy: -58.713 Base-Backbone interact. energy: -0.031 local terms energy: -62.943958 where: bonds (distance) C4'-P energy: -12.522 bonds (distance) P-C4' energy: -15.330 flat angles C4'-P-C4' energy: -11.296 flat angles P-C4'-P energy: -7.868 tors. eta vs tors. theta energy: -15.929 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: 6, replica: 1 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -177.527439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.527439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.527439 (E_RNA) where: Base-Base interactions energy: -114.675 where: short stacking energy: -60.203 Base-Backbone interact. energy: 0.387 local terms energy: -63.240233 where: bonds (distance) C4'-P energy: -13.740 bonds (distance) P-C4' energy: -16.207 flat angles C4'-P-C4' energy: -9.205 flat angles P-C4'-P energy: -9.545 tors. eta vs tors. theta energy: -14.543 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: 7, replica: 8 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -165.762981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.762981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.762981 (E_RNA) where: Base-Base interactions energy: -106.302 where: short stacking energy: -53.011 Base-Backbone interact. energy: -0.018 local terms energy: -59.443205 where: bonds (distance) C4'-P energy: -9.483 bonds (distance) P-C4' energy: -14.471 flat angles C4'-P-C4' energy: -14.242 flat angles P-C4'-P energy: -4.160 tors. eta vs tors. theta energy: -17.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -108.727304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.727304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.727304 (E_RNA) where: Base-Base interactions energy: -61.634 where: short stacking energy: -36.064 Base-Backbone interact. energy: -0.016 local terms energy: -47.078101 where: bonds (distance) C4'-P energy: -5.431 bonds (distance) P-C4' energy: -13.202 flat angles C4'-P-C4' energy: -13.883 flat angles P-C4'-P energy: -9.040 tors. eta vs tors. theta energy: -5.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -85.736359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.736359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.736359 (E_RNA) where: Base-Base interactions energy: -41.772 where: short stacking energy: -39.849 Base-Backbone interact. energy: 0.141 local terms energy: -44.106053 where: bonds (distance) C4'-P energy: -9.799 bonds (distance) P-C4' energy: -12.275 flat angles C4'-P-C4' energy: -10.522 flat angles P-C4'-P energy: -7.132 tors. eta vs tors. theta energy: -4.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -85.261444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.261444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.261444 (E_RNA) where: Base-Base interactions energy: -40.853 where: short stacking energy: -25.062 Base-Backbone interact. energy: -0.639 local terms energy: -43.769822 where: bonds (distance) C4'-P energy: -9.050 bonds (distance) P-C4' energy: -15.412 flat angles C4'-P-C4' energy: -12.741 flat angles P-C4'-P energy: -4.130 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: 10 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -214.189054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.189054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.189054 (E_RNA) where: Base-Base interactions energy: -143.187 where: short stacking energy: -63.417 Base-Backbone interact. energy: -0.300 local terms energy: -70.701955 where: bonds (distance) C4'-P energy: -13.434 bonds (distance) P-C4' energy: -12.877 flat angles C4'-P-C4' energy: -16.638 flat angles P-C4'-P energy: -9.307 tors. eta vs tors. theta energy: -18.446 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: 2 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -211.295371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.295371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.295371 (E_RNA) where: Base-Base interactions energy: -137.534 where: short stacking energy: -58.489 Base-Backbone interact. energy: -0.420 local terms energy: -73.341275 where: bonds (distance) C4'-P energy: -13.276 bonds (distance) P-C4' energy: -17.578 flat angles C4'-P-C4' energy: -14.006 flat angles P-C4'-P energy: -10.946 tors. eta vs tors. theta energy: -17.536 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: 7 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -207.820689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.820689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.820689 (E_RNA) where: Base-Base interactions energy: -143.787 where: short stacking energy: -62.650 Base-Backbone interact. energy: -0.052 local terms energy: -63.981430 where: bonds (distance) C4'-P energy: -13.313 bonds (distance) P-C4' energy: -15.293 flat angles C4'-P-C4' energy: -14.539 flat angles P-C4'-P energy: -7.442 tors. eta vs tors. theta energy: -13.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -199.534752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.534752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.534752 (E_RNA) where: Base-Base interactions energy: -138.752 where: short stacking energy: -58.318 Base-Backbone interact. energy: -0.129 local terms energy: -60.654395 where: bonds (distance) C4'-P energy: -13.640 bonds (distance) P-C4' energy: -13.008 flat angles C4'-P-C4' energy: -13.588 flat angles P-C4'-P energy: -7.073 tors. eta vs tors. theta energy: -13.345 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: 5, replica: 1 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -166.227625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.227625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.227625 (E_RNA) where: Base-Base interactions energy: -112.226 where: short stacking energy: -53.032 Base-Backbone interact. energy: -0.000 local terms energy: -54.001641 where: bonds (distance) C4'-P energy: -14.555 bonds (distance) P-C4' energy: -13.233 flat angles C4'-P-C4' energy: -12.538 flat angles P-C4'-P energy: -3.568 tors. eta vs tors. theta energy: -10.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -180.655760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.655760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.655760 (E_RNA) where: Base-Base interactions energy: -116.595 where: short stacking energy: -56.686 Base-Backbone interact. energy: -0.010 local terms energy: -64.050478 where: bonds (distance) C4'-P energy: -13.946 bonds (distance) P-C4' energy: -12.390 flat angles C4'-P-C4' energy: -16.839 flat angles P-C4'-P energy: -9.566 tors. eta vs tors. theta energy: -11.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -161.002772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.002772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.002772 (E_RNA) where: Base-Base interactions energy: -104.121 where: short stacking energy: -50.108 Base-Backbone interact. energy: -0.001 local terms energy: -56.880877 where: bonds (distance) C4'-P energy: -11.449 bonds (distance) P-C4' energy: -15.199 flat angles C4'-P-C4' energy: -14.601 flat angles P-C4'-P energy: -3.480 tors. eta vs tors. theta energy: -12.151 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: 5 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -93.987090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.987090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.987090 (E_RNA) where: Base-Base interactions energy: -41.000 where: short stacking energy: -34.605 Base-Backbone interact. energy: -0.099 local terms energy: -52.888120 where: bonds (distance) C4'-P energy: -13.097 bonds (distance) P-C4' energy: -14.824 flat angles C4'-P-C4' energy: -13.404 flat angles P-C4'-P energy: -8.596 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: 9, replica: 3 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -85.612023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.612023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.612023 (E_RNA) where: Base-Base interactions energy: -38.699 where: short stacking energy: -33.219 Base-Backbone interact. energy: -0.113 local terms energy: -46.799943 where: bonds (distance) C4'-P energy: -11.032 bonds (distance) P-C4' energy: -15.301 flat angles C4'-P-C4' energy: -6.353 flat angles P-C4'-P energy: -8.664 tors. eta vs tors. theta energy: -5.450 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: 6 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -71.577494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.577494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.577494 (E_RNA) where: Base-Base interactions energy: -30.313 where: short stacking energy: -28.633 Base-Backbone interact. energy: 2.193 local terms energy: -43.457824 where: bonds (distance) C4'-P energy: -7.638 bonds (distance) P-C4' energy: -15.075 flat angles C4'-P-C4' energy: -11.106 flat angles P-C4'-P energy: -7.952 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: 1, replica: 10 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -225.408686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.408686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.408686 (E_RNA) where: Base-Base interactions energy: -151.773 where: short stacking energy: -68.580 Base-Backbone interact. energy: -0.389 local terms energy: -73.246548 where: bonds (distance) C4'-P energy: -15.320 bonds (distance) P-C4' energy: -14.603 flat angles C4'-P-C4' energy: -16.220 flat angles P-C4'-P energy: -7.626 tors. eta vs tors. theta energy: -19.478 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: 7 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -210.448959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.448959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.448959 (E_RNA) where: Base-Base interactions energy: -138.614 where: short stacking energy: -57.960 Base-Backbone interact. energy: 1.007 local terms energy: -72.841470 where: bonds (distance) C4'-P energy: -14.286 bonds (distance) P-C4' energy: -16.424 flat angles C4'-P-C4' energy: -16.314 flat angles P-C4'-P energy: -11.853 tors. eta vs tors. theta energy: -13.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -199.138756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.138756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.138756 (E_RNA) where: Base-Base interactions energy: -135.210 where: short stacking energy: -52.633 Base-Backbone interact. energy: -0.168 local terms energy: -63.761651 where: bonds (distance) C4'-P energy: -12.089 bonds (distance) P-C4' energy: -15.674 flat angles C4'-P-C4' energy: -15.689 flat angles P-C4'-P energy: -9.315 tors. eta vs tors. theta energy: -10.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -192.390752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.390752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.390752 (E_RNA) where: Base-Base interactions energy: -131.019 where: short stacking energy: -61.828 Base-Backbone interact. energy: -0.006 local terms energy: -61.366121 where: bonds (distance) C4'-P energy: -10.130 bonds (distance) P-C4' energy: -15.326 flat angles C4'-P-C4' energy: -13.617 flat angles P-C4'-P energy: -7.352 tors. eta vs tors. theta energy: -14.941 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: 205 Temperature: 1.100000 Total energy: -194.257575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.257575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.257575 (E_RNA) where: Base-Base interactions energy: -137.480 where: short stacking energy: -48.872 Base-Backbone interact. energy: -0.146 local terms energy: -56.630981 where: bonds (distance) C4'-P energy: -11.611 bonds (distance) P-C4' energy: -15.206 flat angles C4'-P-C4' energy: -11.753 flat angles P-C4'-P energy: -9.520 tors. eta vs tors. theta energy: -8.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -177.480824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.480824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.480824 (E_RNA) where: Base-Base interactions energy: -111.706 where: short stacking energy: -52.297 Base-Backbone interact. energy: -0.246 local terms energy: -65.528840 where: bonds (distance) C4'-P energy: -13.711 bonds (distance) P-C4' energy: -15.318 flat angles C4'-P-C4' energy: -11.464 flat angles P-C4'-P energy: -11.326 tors. eta vs tors. theta energy: -13.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -171.096406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.096406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.096406 (E_RNA) where: Base-Base interactions energy: -111.160 where: short stacking energy: -61.666 Base-Backbone interact. energy: -0.218 local terms energy: -59.718491 where: bonds (distance) C4'-P energy: -8.850 bonds (distance) P-C4' energy: -10.317 flat angles C4'-P-C4' energy: -15.657 flat angles P-C4'-P energy: -9.150 tors. eta vs tors. theta energy: -15.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -103.286172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.286172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.286172 (E_RNA) where: Base-Base interactions energy: -54.482 where: short stacking energy: -34.223 Base-Backbone interact. energy: -0.036 local terms energy: -48.768410 where: bonds (distance) C4'-P energy: -10.035 bonds (distance) P-C4' energy: -16.209 flat angles C4'-P-C4' energy: -10.079 flat angles P-C4'-P energy: -5.246 tors. eta vs tors. theta energy: -7.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -101.274272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.274272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.274272 (E_RNA) where: Base-Base interactions energy: -64.791 where: short stacking energy: -18.641 Base-Backbone interact. energy: -0.226 local terms energy: -36.256383 where: bonds (distance) C4'-P energy: -9.032 bonds (distance) P-C4' energy: -11.155 flat angles C4'-P-C4' energy: -9.884 flat angles P-C4'-P energy: -8.985 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: 10, replica: 6 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -84.435146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.435146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.435146 (E_RNA) where: Base-Base interactions energy: -33.794 where: short stacking energy: -32.159 Base-Backbone interact. energy: -0.300 local terms energy: -50.341668 where: bonds (distance) C4'-P energy: -7.402 bonds (distance) P-C4' energy: -16.876 flat angles C4'-P-C4' energy: -15.921 flat angles P-C4'-P energy: -7.203 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: 1, replica: 10 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -223.083158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.083158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.083158 (E_RNA) where: Base-Base interactions energy: -150.314 where: short stacking energy: -64.882 Base-Backbone interact. energy: -0.783 local terms energy: -71.985821 where: bonds (distance) C4'-P energy: -14.357 bonds (distance) P-C4' energy: -15.233 flat angles C4'-P-C4' energy: -18.358 flat angles P-C4'-P energy: -5.350 tors. eta vs tors. theta energy: -18.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -213.292719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.292719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.292719 (E_RNA) where: Base-Base interactions energy: -147.963 where: short stacking energy: -62.905 Base-Backbone interact. energy: -0.156 local terms energy: -65.173273 where: bonds (distance) C4'-P energy: -14.145 bonds (distance) P-C4' energy: -13.193 flat angles C4'-P-C4' energy: -15.210 flat angles P-C4'-P energy: -5.419 tors. eta vs tors. theta energy: -17.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -200.007187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.007187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.007187 (E_RNA) where: Base-Base interactions energy: -132.218 where: short stacking energy: -55.689 Base-Backbone interact. energy: -0.133 local terms energy: -67.656505 where: bonds (distance) C4'-P energy: -15.040 bonds (distance) P-C4' energy: -12.598 flat angles C4'-P-C4' energy: -13.255 flat angles P-C4'-P energy: -9.563 tors. eta vs tors. theta energy: -17.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -190.330625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.330625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.330625 (E_RNA) where: Base-Base interactions energy: -126.364 where: short stacking energy: -65.911 Base-Backbone interact. energy: -0.017 local terms energy: -63.948758 where: bonds (distance) C4'-P energy: -14.944 bonds (distance) P-C4' energy: -16.439 flat angles C4'-P-C4' energy: -13.514 flat angles P-C4'-P energy: -4.447 tors. eta vs tors. theta energy: -14.605 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: 1 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -188.037493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.037493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.037493 (E_RNA) where: Base-Base interactions energy: -122.633 where: short stacking energy: -53.699 Base-Backbone interact. energy: -0.448 local terms energy: -64.956074 where: bonds (distance) C4'-P energy: -13.379 bonds (distance) P-C4' energy: -15.759 flat angles C4'-P-C4' energy: -15.686 flat angles P-C4'-P energy: -5.372 tors. eta vs tors. theta energy: -14.760 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: 6, replica: 4 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -161.286019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.286019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.286019 (E_RNA) where: Base-Base interactions energy: -104.080 where: short stacking energy: -50.965 Base-Backbone interact. energy: -0.552 local terms energy: -56.653644 where: bonds (distance) C4'-P energy: -5.737 bonds (distance) P-C4' energy: -14.472 flat angles C4'-P-C4' energy: -12.236 flat angles P-C4'-P energy: -8.829 tors. eta vs tors. theta energy: -15.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -177.776371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.776371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.776371 (E_RNA) where: Base-Base interactions energy: -121.506 where: short stacking energy: -45.553 Base-Backbone interact. energy: -0.112 local terms energy: -56.158555 where: bonds (distance) C4'-P energy: -11.802 bonds (distance) P-C4' energy: -9.510 flat angles C4'-P-C4' energy: -17.320 flat angles P-C4'-P energy: -10.183 tors. eta vs tors. theta energy: -7.343 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: 3 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -107.519693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.519693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.519693 (E_RNA) where: Base-Base interactions energy: -58.326 where: short stacking energy: -40.521 Base-Backbone interact. energy: -0.270 local terms energy: -48.923719 where: bonds (distance) C4'-P energy: -11.177 bonds (distance) P-C4' energy: -14.723 flat angles C4'-P-C4' energy: -12.532 flat angles P-C4'-P energy: -2.965 tors. eta vs tors. theta energy: -7.527 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: 6 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -80.997185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.997185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.997185 (E_RNA) where: Base-Base interactions energy: -30.540 where: short stacking energy: -30.540 Base-Backbone interact. energy: 1.232 local terms energy: -51.689477 where: bonds (distance) C4'-P energy: -11.838 bonds (distance) P-C4' energy: -15.731 flat angles C4'-P-C4' energy: -8.844 flat angles P-C4'-P energy: -10.417 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: 10, replica: 5 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -75.401814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.401814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.401814 (E_RNA) where: Base-Base interactions energy: -26.194 where: short stacking energy: -24.572 Base-Backbone interact. energy: 0.813 local terms energy: -50.021060 where: bonds (distance) C4'-P energy: -13.141 bonds (distance) P-C4' energy: -16.234 flat angles C4'-P-C4' energy: -6.748 flat angles P-C4'-P energy: -11.671 tors. eta vs tors. theta energy: -2.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -217.989270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.989270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.989270 (E_RNA) where: Base-Base interactions energy: -150.601 where: short stacking energy: -62.869 Base-Backbone interact. energy: -0.008 local terms energy: -67.381150 where: bonds (distance) C4'-P energy: -14.460 bonds (distance) P-C4' energy: -15.007 flat angles C4'-P-C4' energy: -13.681 flat angles P-C4'-P energy: -9.759 tors. eta vs tors. theta energy: -14.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -198.146180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.146180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.146180 (E_RNA) where: Base-Base interactions energy: -134.640 where: short stacking energy: -53.228 Base-Backbone interact. energy: -0.201 local terms energy: -63.305646 where: bonds (distance) C4'-P energy: -13.192 bonds (distance) P-C4' energy: -13.274 flat angles C4'-P-C4' energy: -13.462 flat angles P-C4'-P energy: -7.041 tors. eta vs tors. theta energy: -16.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -223.918070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.918070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.918070 (E_RNA) where: Base-Base interactions energy: -150.567 where: short stacking energy: -67.299 Base-Backbone interact. energy: -0.004 local terms energy: -73.347552 where: bonds (distance) C4'-P energy: -15.826 bonds (distance) P-C4' energy: -16.520 flat angles C4'-P-C4' energy: -15.623 flat angles P-C4'-P energy: -9.411 tors. eta vs tors. theta energy: -15.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -183.813138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.813138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.813138 (E_RNA) where: Base-Base interactions energy: -119.226 where: short stacking energy: -60.143 Base-Backbone interact. energy: -0.003 local terms energy: -64.584246 where: bonds (distance) C4'-P energy: -15.221 bonds (distance) P-C4' energy: -13.031 flat angles C4'-P-C4' energy: -12.838 flat angles P-C4'-P energy: -8.255 tors. eta vs tors. theta energy: -15.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -189.100515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.100515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.100515 (E_RNA) where: Base-Base interactions energy: -126.359 where: short stacking energy: -58.034 Base-Backbone interact. energy: -0.320 local terms energy: -62.421843 where: bonds (distance) C4'-P energy: -13.260 bonds (distance) P-C4' energy: -10.770 flat angles C4'-P-C4' energy: -15.683 flat angles P-C4'-P energy: -7.826 tors. eta vs tors. theta energy: -14.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -178.854794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.854794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.854794 (E_RNA) where: Base-Base interactions energy: -118.521 where: short stacking energy: -42.480 Base-Backbone interact. energy: -0.130 local terms energy: -60.203473 where: bonds (distance) C4'-P energy: -13.517 bonds (distance) P-C4' energy: -13.740 flat angles C4'-P-C4' energy: -14.394 flat angles P-C4'-P energy: -10.019 tors. eta vs tors. theta energy: -8.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -163.045196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.045196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.045196 (E_RNA) where: Base-Base interactions energy: -109.788 where: short stacking energy: -57.876 Base-Backbone interact. energy: -0.013 local terms energy: -53.243807 where: bonds (distance) C4'-P energy: -4.131 bonds (distance) P-C4' energy: -16.185 flat angles C4'-P-C4' energy: -11.733 flat angles P-C4'-P energy: -6.758 tors. eta vs tors. theta energy: -14.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -78.730840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.730840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.730840 (E_RNA) where: Base-Base interactions energy: -18.811 where: short stacking energy: -17.754 Base-Backbone interact. energy: -0.094 local terms energy: -59.826221 where: bonds (distance) C4'-P energy: -14.766 bonds (distance) P-C4' energy: -14.836 flat angles C4'-P-C4' energy: -12.680 flat angles P-C4'-P energy: -9.598 tors. eta vs tors. theta energy: -7.946 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: 3 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -85.521074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.521074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.521074 (E_RNA) where: Base-Base interactions energy: -38.850 where: short stacking energy: -29.085 Base-Backbone interact. energy: 4.810 local terms energy: -51.480918 where: bonds (distance) C4'-P energy: -14.335 bonds (distance) P-C4' energy: -14.871 flat angles C4'-P-C4' energy: -10.621 flat angles P-C4'-P energy: -6.937 tors. eta vs tors. theta energy: -4.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -79.826813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.826813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.826813 (E_RNA) where: Base-Base interactions energy: -33.871 where: short stacking energy: -31.834 Base-Backbone interact. energy: -0.174 local terms energy: -45.782293 where: bonds (distance) C4'-P energy: -7.911 bonds (distance) P-C4' energy: -16.253 flat angles C4'-P-C4' energy: -11.945 flat angles P-C4'-P energy: -7.719 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: 1, replica: 10 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -220.693522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.693522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.693522 (E_RNA) where: Base-Base interactions energy: -148.548 where: short stacking energy: -66.064 Base-Backbone interact. energy: -0.002 local terms energy: -72.143656 where: bonds (distance) C4'-P energy: -15.532 bonds (distance) P-C4' energy: -17.084 flat angles C4'-P-C4' energy: -13.908 flat angles P-C4'-P energy: -9.466 tors. eta vs tors. theta energy: -16.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -207.860432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.860432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.860432 (E_RNA) where: Base-Base interactions energy: -139.460 where: short stacking energy: -57.034 Base-Backbone interact. energy: -0.060 local terms energy: -68.340639 where: bonds (distance) C4'-P energy: -15.314 bonds (distance) P-C4' energy: -13.473 flat angles C4'-P-C4' energy: -14.516 flat angles P-C4'-P energy: -9.404 tors. eta vs tors. theta energy: -15.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -191.645319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.645319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.645319 (E_RNA) where: Base-Base interactions energy: -127.047 where: short stacking energy: -64.122 Base-Backbone interact. energy: -0.308 local terms energy: -64.290498 where: bonds (distance) C4'-P energy: -12.680 bonds (distance) P-C4' energy: -11.775 flat angles C4'-P-C4' energy: -14.161 flat angles P-C4'-P energy: -8.940 tors. eta vs tors. theta energy: -16.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -213.362768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.362768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.362768 (E_RNA) where: Base-Base interactions energy: -146.549 where: short stacking energy: -63.804 Base-Backbone interact. energy: -0.104 local terms energy: -66.709837 where: bonds (distance) C4'-P energy: -13.209 bonds (distance) P-C4' energy: -14.364 flat angles C4'-P-C4' energy: -16.731 flat angles P-C4'-P energy: -8.752 tors. eta vs tors. theta energy: -13.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -181.081314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.081314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.081314 (E_RNA) where: Base-Base interactions energy: -109.300 where: short stacking energy: -47.738 Base-Backbone interact. energy: -0.016 local terms energy: -71.765019 where: bonds (distance) C4'-P energy: -15.247 bonds (distance) P-C4' energy: -12.526 flat angles C4'-P-C4' energy: -16.087 flat angles P-C4'-P energy: -10.797 tors. eta vs tors. theta energy: -17.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -184.230839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.230839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.230839 (E_RNA) where: Base-Base interactions energy: -124.916 where: short stacking energy: -55.048 Base-Backbone interact. energy: -0.054 local terms energy: -59.260863 where: bonds (distance) C4'-P energy: -10.122 bonds (distance) P-C4' energy: -14.440 flat angles C4'-P-C4' energy: -14.228 flat angles P-C4'-P energy: -9.451 tors. eta vs tors. theta energy: -11.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -143.692381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.692381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.692381 (E_RNA) where: Base-Base interactions energy: -87.911 where: short stacking energy: -45.317 Base-Backbone interact. energy: 0.609 local terms energy: -56.389991 where: bonds (distance) C4'-P energy: -12.717 bonds (distance) P-C4' energy: -13.001 flat angles C4'-P-C4' energy: -11.171 flat angles P-C4'-P energy: -10.751 tors. eta vs tors. theta energy: -8.749 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: 6 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -78.783934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.783934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.783934 (E_RNA) where: Base-Base interactions energy: -34.600 where: short stacking energy: -34.503 Base-Backbone interact. energy: -0.040 local terms energy: -44.143979 where: bonds (distance) C4'-P energy: -12.770 bonds (distance) P-C4' energy: -15.254 flat angles C4'-P-C4' energy: -11.315 flat angles P-C4'-P energy: -6.071 tors. eta vs tors. theta energy: 1.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -76.348975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.348975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.348975 (E_RNA) where: Base-Base interactions energy: -23.070 where: short stacking energy: -23.070 Base-Backbone interact. energy: -0.208 local terms energy: -53.071065 where: bonds (distance) C4'-P energy: -14.116 bonds (distance) P-C4' energy: -14.107 flat angles C4'-P-C4' energy: -10.612 flat angles P-C4'-P energy: -9.050 tors. eta vs tors. theta energy: -5.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -90.059061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.059061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.059061 (E_RNA) where: Base-Base interactions energy: -39.879 where: short stacking energy: -18.568 Base-Backbone interact. energy: -0.116 local terms energy: -50.063882 where: bonds (distance) C4'-P energy: -11.822 bonds (distance) P-C4' energy: -9.976 flat angles C4'-P-C4' energy: -13.595 flat angles P-C4'-P energy: -10.324 tors. eta vs tors. theta energy: -4.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -222.906153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.906153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.906153 (E_RNA) where: Base-Base interactions energy: -149.988 where: short stacking energy: -67.051 Base-Backbone interact. energy: -0.212 local terms energy: -72.706452 where: bonds (distance) C4'-P energy: -12.394 bonds (distance) P-C4' energy: -16.894 flat angles C4'-P-C4' energy: -15.661 flat angles P-C4'-P energy: -10.346 tors. eta vs tors. theta energy: -17.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -193.617290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.617290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.617290 (E_RNA) where: Base-Base interactions energy: -122.324 where: short stacking energy: -60.001 Base-Backbone interact. energy: -0.027 local terms energy: -71.266484 where: bonds (distance) C4'-P energy: -13.056 bonds (distance) P-C4' energy: -14.377 flat angles C4'-P-C4' energy: -15.231 flat angles P-C4'-P energy: -11.829 tors. eta vs tors. theta energy: -16.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -190.099580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.099580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.099580 (E_RNA) where: Base-Base interactions energy: -126.153 where: short stacking energy: -51.401 Base-Backbone interact. energy: -0.167 local terms energy: -63.779344 where: bonds (distance) C4'-P energy: -15.412 bonds (distance) P-C4' energy: -12.733 flat angles C4'-P-C4' energy: -14.238 flat angles P-C4'-P energy: -7.698 tors. eta vs tors. theta energy: -13.698 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: 7 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -215.249418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.249418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.249418 (E_RNA) where: Base-Base interactions energy: -144.770 where: short stacking energy: -59.208 Base-Backbone interact. energy: -0.048 local terms energy: -70.431373 where: bonds (distance) C4'-P energy: -14.961 bonds (distance) P-C4' energy: -15.551 flat angles C4'-P-C4' energy: -15.897 flat angles P-C4'-P energy: -7.859 tors. eta vs tors. theta energy: -16.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -191.162094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.162094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.162094 (E_RNA) where: Base-Base interactions energy: -128.948 where: short stacking energy: -62.909 Base-Backbone interact. energy: -0.032 local terms energy: -62.182256 where: bonds (distance) C4'-P energy: -12.975 bonds (distance) P-C4' energy: -9.668 flat angles C4'-P-C4' energy: -14.256 flat angles P-C4'-P energy: -8.237 tors. eta vs tors. theta energy: -17.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -184.145843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.145843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.145843 (E_RNA) where: Base-Base interactions energy: -120.531 where: short stacking energy: -59.045 Base-Backbone interact. energy: -0.050 local terms energy: -63.564814 where: bonds (distance) C4'-P energy: -12.290 bonds (distance) P-C4' energy: -12.244 flat angles C4'-P-C4' energy: -14.895 flat angles P-C4'-P energy: -12.389 tors. eta vs tors. theta energy: -11.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -138.422101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.422101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.422101 (E_RNA) where: Base-Base interactions energy: -82.187 where: short stacking energy: -43.404 Base-Backbone interact. energy: -0.224 local terms energy: -56.011271 where: bonds (distance) C4'-P energy: -14.759 bonds (distance) P-C4' energy: -9.502 flat angles C4'-P-C4' energy: -13.865 flat angles P-C4'-P energy: -7.825 tors. eta vs tors. theta energy: -10.061 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: 8, replica: 5 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -84.278763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.278763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.278763 (E_RNA) where: Base-Base interactions energy: -36.561 where: short stacking energy: -32.466 Base-Backbone interact. energy: 0.333 local terms energy: -48.050866 where: bonds (distance) C4'-P energy: -13.856 bonds (distance) P-C4' energy: -12.785 flat angles C4'-P-C4' energy: -8.367 flat angles P-C4'-P energy: -7.023 tors. eta vs tors. theta energy: -6.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -85.094845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.094845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.094845 (E_RNA) where: Base-Base interactions energy: -28.255 where: short stacking energy: -26.045 Base-Backbone interact. energy: -0.078 local terms energy: -56.761205 where: bonds (distance) C4'-P energy: -15.313 bonds (distance) P-C4' energy: -16.442 flat angles C4'-P-C4' energy: -12.782 flat angles P-C4'-P energy: -7.396 tors. eta vs tors. theta energy: -4.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -84.973228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.973228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.973228 (E_RNA) where: Base-Base interactions energy: -38.739 where: short stacking energy: -37.647 Base-Backbone interact. energy: -0.126 local terms energy: -46.108665 where: bonds (distance) C4'-P energy: -12.779 bonds (distance) P-C4' energy: -7.921 flat angles C4'-P-C4' energy: -12.594 flat angles P-C4'-P energy: -10.345 tors. eta vs tors. theta energy: -2.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -223.814851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.814851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.814851 (E_RNA) where: Base-Base interactions energy: -153.862 where: short stacking energy: -64.139 Base-Backbone interact. energy: -0.646 local terms energy: -69.307286 where: bonds (distance) C4'-P energy: -7.940 bonds (distance) P-C4' energy: -17.560 flat angles C4'-P-C4' energy: -17.325 flat angles P-C4'-P energy: -8.262 tors. eta vs tors. theta energy: -18.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -187.424349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.424349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.424349 (E_RNA) where: Base-Base interactions energy: -125.619 where: short stacking energy: -55.490 Base-Backbone interact. energy: -0.587 local terms energy: -61.218222 where: bonds (distance) C4'-P energy: -13.622 bonds (distance) P-C4' energy: -17.017 flat angles C4'-P-C4' energy: -13.661 flat angles P-C4'-P energy: -7.426 tors. eta vs tors. theta energy: -9.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -216.363450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.363450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.363450 (E_RNA) where: Base-Base interactions energy: -150.617 where: short stacking energy: -65.188 Base-Backbone interact. energy: -0.310 local terms energy: -65.435840 where: bonds (distance) C4'-P energy: -14.262 bonds (distance) P-C4' energy: -8.089 flat angles C4'-P-C4' energy: -15.632 flat angles P-C4'-P energy: -8.106 tors. eta vs tors. theta energy: -19.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -190.588630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.588630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.588630 (E_RNA) where: Base-Base interactions energy: -139.008 where: short stacking energy: -57.272 Base-Backbone interact. energy: -0.453 local terms energy: -51.128019 where: bonds (distance) C4'-P energy: -8.469 bonds (distance) P-C4' energy: -11.505 flat angles C4'-P-C4' energy: -12.292 flat angles P-C4'-P energy: -5.027 tors. eta vs tors. theta energy: -13.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -180.267781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.267781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.267781 (E_RNA) where: Base-Base interactions energy: -122.984 where: short stacking energy: -52.865 Base-Backbone interact. energy: 0.299 local terms energy: -57.582211 where: bonds (distance) C4'-P energy: -16.456 bonds (distance) P-C4' energy: -13.815 flat angles C4'-P-C4' energy: -6.606 flat angles P-C4'-P energy: -9.508 tors. eta vs tors. theta energy: -11.198 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: 6, replica: 1 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -180.096736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.096736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.096736 (E_RNA) where: Base-Base interactions energy: -120.585 where: short stacking energy: -57.210 Base-Backbone interact. energy: -0.364 local terms energy: -59.147818 where: bonds (distance) C4'-P energy: -7.840 bonds (distance) P-C4' energy: -12.764 flat angles C4'-P-C4' energy: -13.653 flat angles P-C4'-P energy: -9.295 tors. eta vs tors. theta energy: -15.595 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: 4 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -155.994707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.994707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.994707 (E_RNA) where: Base-Base interactions energy: -107.280 where: short stacking energy: -52.237 Base-Backbone interact. energy: -0.244 local terms energy: -48.471172 where: bonds (distance) C4'-P energy: -8.320 bonds (distance) P-C4' energy: -15.927 flat angles C4'-P-C4' energy: -6.605 flat angles P-C4'-P energy: -4.881 tors. eta vs tors. theta energy: -12.738 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: 210 Temperature: 1.250000 Total energy: -105.279997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.279997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.279997 (E_RNA) where: Base-Base interactions energy: -57.976 where: short stacking energy: -41.008 Base-Backbone interact. energy: -0.246 local terms energy: -47.058003 where: bonds (distance) C4'-P energy: -13.263 bonds (distance) P-C4' energy: -14.741 flat angles C4'-P-C4' energy: -5.650 flat angles P-C4'-P energy: -7.353 tors. eta vs tors. theta energy: -6.051 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: 210 Temperature: 1.300000 Total energy: -93.449770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.449770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.449770 (E_RNA) where: Base-Base interactions energy: -43.662 where: short stacking energy: -31.001 Base-Backbone interact. energy: -0.320 local terms energy: -49.467982 where: bonds (distance) C4'-P energy: -12.059 bonds (distance) P-C4' energy: -14.949 flat angles C4'-P-C4' energy: -10.500 flat angles P-C4'-P energy: -10.364 tors. eta vs tors. theta energy: -1.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -84.621559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.621559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.621559 (E_RNA) where: Base-Base interactions energy: -41.445 where: short stacking energy: -34.402 Base-Backbone interact. energy: -0.200 local terms energy: -42.976176 where: bonds (distance) C4'-P energy: -11.818 bonds (distance) P-C4' energy: -12.846 flat angles C4'-P-C4' energy: -9.660 flat angles P-C4'-P energy: -3.810 tors. eta vs tors. theta energy: -4.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -225.288487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.288487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.288487 (E_RNA) where: Base-Base interactions energy: -150.834 where: short stacking energy: -69.272 Base-Backbone interact. energy: -0.102 local terms energy: -74.352797 where: bonds (distance) C4'-P energy: -16.261 bonds (distance) P-C4' energy: -13.264 flat angles C4'-P-C4' energy: -17.576 flat angles P-C4'-P energy: -7.641 tors. eta vs tors. theta energy: -19.611 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: 211 Temperature: 0.950000 Total energy: -225.813539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.813539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.813539 (E_RNA) where: Base-Base interactions energy: -154.428 where: short stacking energy: -69.810 Base-Backbone interact. energy: -0.672 local terms energy: -70.713643 where: bonds (distance) C4'-P energy: -13.888 bonds (distance) P-C4' energy: -15.042 flat angles C4'-P-C4' energy: -14.570 flat angles P-C4'-P energy: -9.163 tors. eta vs tors. theta energy: -18.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -194.019066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.019066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.019066 (E_RNA) where: Base-Base interactions energy: -129.865 where: short stacking energy: -60.757 Base-Backbone interact. energy: -0.768 local terms energy: -63.386004 where: bonds (distance) C4'-P energy: -14.423 bonds (distance) P-C4' energy: -14.279 flat angles C4'-P-C4' energy: -11.316 flat angles P-C4'-P energy: -8.829 tors. eta vs tors. theta energy: -14.539 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: 8 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -187.411278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.411278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.411278 (E_RNA) where: Base-Base interactions energy: -130.956 where: short stacking energy: -61.150 Base-Backbone interact. energy: -0.118 local terms energy: -56.337778 where: bonds (distance) C4'-P energy: -11.771 bonds (distance) P-C4' energy: -14.821 flat angles C4'-P-C4' energy: -6.019 flat angles P-C4'-P energy: -9.538 tors. eta vs tors. theta energy: -14.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -199.109792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.109792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.109792 (E_RNA) where: Base-Base interactions energy: -136.525 where: short stacking energy: -56.454 Base-Backbone interact. energy: -0.165 local terms energy: -62.420356 where: bonds (distance) C4'-P energy: -11.073 bonds (distance) P-C4' energy: -11.181 flat angles C4'-P-C4' energy: -14.031 flat angles P-C4'-P energy: -9.149 tors. eta vs tors. theta energy: -16.986 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: 1 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -183.596807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.596807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.596807 (E_RNA) where: Base-Base interactions energy: -118.419 where: short stacking energy: -57.391 Base-Backbone interact. energy: -0.109 local terms energy: -65.068701 where: bonds (distance) C4'-P energy: -12.598 bonds (distance) P-C4' energy: -14.616 flat angles C4'-P-C4' energy: -13.875 flat angles P-C4'-P energy: -7.525 tors. eta vs tors. theta energy: -16.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -167.115031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.115031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.115031 (E_RNA) where: Base-Base interactions energy: -110.279 where: short stacking energy: -49.017 Base-Backbone interact. energy: -0.282 local terms energy: -56.553579 where: bonds (distance) C4'-P energy: -14.586 bonds (distance) P-C4' energy: -13.825 flat angles C4'-P-C4' energy: -10.087 flat angles P-C4'-P energy: -7.467 tors. eta vs tors. theta energy: -10.590 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: 211 Temperature: 1.250000 Total energy: -92.131912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.131912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.131912 (E_RNA) where: Base-Base interactions energy: -47.909 where: short stacking energy: -21.668 Base-Backbone interact. energy: -0.018 local terms energy: -44.205287 where: bonds (distance) C4'-P energy: -9.040 bonds (distance) P-C4' energy: -13.546 flat angles C4'-P-C4' energy: -8.603 flat angles P-C4'-P energy: -12.204 tors. eta vs tors. theta energy: -0.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -75.181227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.181227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.181227 (E_RNA) where: Base-Base interactions energy: -33.397 where: short stacking energy: -21.989 Base-Backbone interact. energy: -0.284 local terms energy: -41.500454 where: bonds (distance) C4'-P energy: -11.682 bonds (distance) P-C4' energy: -14.574 flat angles C4'-P-C4' energy: -10.361 flat angles P-C4'-P energy: -8.426 tors. eta vs tors. theta energy: 3.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -90.984107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.984107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.984107 (E_RNA) where: Base-Base interactions energy: -49.976 where: short stacking energy: -19.467 Base-Backbone interact. energy: -0.135 local terms energy: -40.872764 where: bonds (distance) C4'-P energy: -11.971 bonds (distance) P-C4' energy: -15.041 flat angles C4'-P-C4' energy: -12.887 flat angles P-C4'-P energy: -4.845 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: 1, replica: 10 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -222.033139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.033139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.033139 (E_RNA) where: Base-Base interactions energy: -151.728 where: short stacking energy: -67.152 Base-Backbone interact. energy: -0.610 local terms energy: -69.694420 where: bonds (distance) C4'-P energy: -12.482 bonds (distance) P-C4' energy: -16.118 flat angles C4'-P-C4' energy: -13.620 flat angles P-C4'-P energy: -8.876 tors. eta vs tors. theta energy: -18.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -214.552715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.552715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.552715 (E_RNA) where: Base-Base interactions energy: -137.154 where: short stacking energy: -55.282 Base-Backbone interact. energy: -0.055 local terms energy: -77.343135 where: bonds (distance) C4'-P energy: -13.902 bonds (distance) P-C4' energy: -16.703 flat angles C4'-P-C4' energy: -13.850 flat angles P-C4'-P energy: -13.131 tors. eta vs tors. theta energy: -19.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -182.021841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.021841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.021841 (E_RNA) where: Base-Base interactions energy: -124.024 where: short stacking energy: -54.402 Base-Backbone interact. energy: -0.354 local terms energy: -57.644409 where: bonds (distance) C4'-P energy: -11.542 bonds (distance) P-C4' energy: -12.876 flat angles C4'-P-C4' energy: -16.054 flat angles P-C4'-P energy: -6.422 tors. eta vs tors. theta energy: -10.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -189.832377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.832377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.832377 (E_RNA) where: Base-Base interactions energy: -129.852 where: short stacking energy: -55.037 Base-Backbone interact. energy: -0.010 local terms energy: -59.970049 where: bonds (distance) C4'-P energy: -14.543 bonds (distance) P-C4' energy: -11.143 flat angles C4'-P-C4' energy: -12.552 flat angles P-C4'-P energy: -8.296 tors. eta vs tors. theta energy: -13.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -186.685653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.685653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.685653 (E_RNA) where: Base-Base interactions energy: -117.241 where: short stacking energy: -61.223 Base-Backbone interact. energy: -0.006 local terms energy: -69.438005 where: bonds (distance) C4'-P energy: -13.119 bonds (distance) P-C4' energy: -16.535 flat angles C4'-P-C4' energy: -13.546 flat angles P-C4'-P energy: -8.681 tors. eta vs tors. theta energy: -17.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -183.300146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.300146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.300146 (E_RNA) where: Base-Base interactions energy: -122.154 where: short stacking energy: -54.972 Base-Backbone interact. energy: -0.004 local terms energy: -61.142311 where: bonds (distance) C4'-P energy: -13.136 bonds (distance) P-C4' energy: -16.376 flat angles C4'-P-C4' energy: -12.572 flat angles P-C4'-P energy: -4.387 tors. eta vs tors. theta energy: -14.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -189.021870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.021870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.021870 (E_RNA) where: Base-Base interactions energy: -127.209 where: short stacking energy: -58.163 Base-Backbone interact. energy: -0.395 local terms energy: -61.417446 where: bonds (distance) C4'-P energy: -11.703 bonds (distance) P-C4' energy: -9.747 flat angles C4'-P-C4' energy: -14.145 flat angles P-C4'-P energy: -8.702 tors. eta vs tors. theta energy: -17.120 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: 5 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -88.261521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.261521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.261521 (E_RNA) where: Base-Base interactions energy: -42.827 where: short stacking energy: -40.404 Base-Backbone interact. energy: -0.146 local terms energy: -45.289207 where: bonds (distance) C4'-P energy: -9.360 bonds (distance) P-C4' energy: -11.562 flat angles C4'-P-C4' energy: -14.553 flat angles P-C4'-P energy: -4.304 tors. eta vs tors. theta energy: -5.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -79.229998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.229998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.229998 (E_RNA) where: Base-Base interactions energy: -22.805 where: short stacking energy: -22.805 Base-Backbone interact. energy: -0.998 local terms energy: -55.427426 where: bonds (distance) C4'-P energy: -13.525 bonds (distance) P-C4' energy: -10.084 flat angles C4'-P-C4' energy: -15.392 flat angles P-C4'-P energy: -10.279 tors. eta vs tors. theta energy: -6.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -82.610244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.610244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.610244 (E_RNA) where: Base-Base interactions energy: -29.930 where: short stacking energy: -29.930 Base-Backbone interact. energy: -0.011 local terms energy: -52.669074 where: bonds (distance) C4'-P energy: -13.277 bonds (distance) P-C4' energy: -13.836 flat angles C4'-P-C4' energy: -10.956 flat angles P-C4'-P energy: -9.050 tors. eta vs tors. theta energy: -5.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -222.391392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.391392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.391392 (E_RNA) where: Base-Base interactions energy: -157.772 where: short stacking energy: -66.230 Base-Backbone interact. energy: -0.007 local terms energy: -64.611760 where: bonds (distance) C4'-P energy: -13.246 bonds (distance) P-C4' energy: -13.973 flat angles C4'-P-C4' energy: -11.851 flat angles P-C4'-P energy: -6.976 tors. eta vs tors. theta energy: -18.566 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: 7 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -217.497709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.497709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.497709 (E_RNA) where: Base-Base interactions energy: -155.193 where: short stacking energy: -64.389 Base-Backbone interact. energy: -0.002 local terms energy: -62.302934 where: bonds (distance) C4'-P energy: -11.268 bonds (distance) P-C4' energy: -15.551 flat angles C4'-P-C4' energy: -14.064 flat angles P-C4'-P energy: -6.121 tors. eta vs tors. theta energy: -15.298 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: 8 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -187.909966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.909966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.909966 (E_RNA) where: Base-Base interactions energy: -117.308 where: short stacking energy: -62.194 Base-Backbone interact. energy: -0.002 local terms energy: -70.600379 where: bonds (distance) C4'-P energy: -12.300 bonds (distance) P-C4' energy: -15.135 flat angles C4'-P-C4' energy: -15.363 flat angles P-C4'-P energy: -9.818 tors. eta vs tors. theta energy: -17.985 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: 4, replica: 9 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -188.506324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.506324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.506324 (E_RNA) where: Base-Base interactions energy: -126.066 where: short stacking energy: -59.811 Base-Backbone interact. energy: -0.116 local terms energy: -62.323754 where: bonds (distance) C4'-P energy: -13.648 bonds (distance) P-C4' energy: -10.712 flat angles C4'-P-C4' energy: -15.546 flat angles P-C4'-P energy: -10.287 tors. eta vs tors. theta energy: -12.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -189.066011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.066011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.066011 (E_RNA) where: Base-Base interactions energy: -119.407 where: short stacking energy: -65.571 Base-Backbone interact. energy: -0.014 local terms energy: -69.644931 where: bonds (distance) C4'-P energy: -13.764 bonds (distance) P-C4' energy: -16.843 flat angles C4'-P-C4' energy: -15.143 flat angles P-C4'-P energy: -7.930 tors. eta vs tors. theta energy: -15.965 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: 6, replica: 4 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -184.181018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.181018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.181018 (E_RNA) where: Base-Base interactions energy: -121.487 where: short stacking energy: -51.260 Base-Backbone interact. energy: -0.195 local terms energy: -62.498995 where: bonds (distance) C4'-P energy: -13.894 bonds (distance) P-C4' energy: -14.324 flat angles C4'-P-C4' energy: -14.773 flat angles P-C4'-P energy: -10.339 tors. eta vs tors. theta energy: -9.169 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: 2 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -178.596793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.596793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.596793 (E_RNA) where: Base-Base interactions energy: -128.374 where: short stacking energy: -48.105 Base-Backbone interact. energy: -0.224 local terms energy: -49.999004 where: bonds (distance) C4'-P energy: -6.777 bonds (distance) P-C4' energy: -10.943 flat angles C4'-P-C4' energy: -10.663 flat angles P-C4'-P energy: -9.707 tors. eta vs tors. theta energy: -11.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -97.214700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.214700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.214700 (E_RNA) where: Base-Base interactions energy: -50.753 where: short stacking energy: -30.446 Base-Backbone interact. energy: -0.155 local terms energy: -46.306480 where: bonds (distance) C4'-P energy: -11.420 bonds (distance) P-C4' energy: -7.825 flat angles C4'-P-C4' energy: -14.583 flat angles P-C4'-P energy: -7.973 tors. eta vs tors. theta energy: -4.505 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: 5 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -93.146296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.146296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.146296 (E_RNA) where: Base-Base interactions energy: -48.104 where: short stacking energy: -28.174 Base-Backbone interact. energy: -0.049 local terms energy: -44.993528 where: bonds (distance) C4'-P energy: -11.964 bonds (distance) P-C4' energy: -13.016 flat angles C4'-P-C4' energy: -11.941 flat angles P-C4'-P energy: -8.560 tors. eta vs tors. theta energy: 0.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -80.630715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.630715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.630715 (E_RNA) where: Base-Base interactions energy: -38.317 where: short stacking energy: -15.698 Base-Backbone interact. energy: -0.136 local terms energy: -42.177552 where: bonds (distance) C4'-P energy: -16.207 bonds (distance) P-C4' energy: -12.302 flat angles C4'-P-C4' energy: -8.690 flat angles P-C4'-P energy: -2.650 tors. eta vs tors. theta energy: -2.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -223.837212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.837212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.837212 (E_RNA) where: Base-Base interactions energy: -154.997 where: short stacking energy: -62.637 Base-Backbone interact. energy: 0.739 local terms energy: -69.579110 where: bonds (distance) C4'-P energy: -13.629 bonds (distance) P-C4' energy: -14.307 flat angles C4'-P-C4' energy: -16.873 flat angles P-C4'-P energy: -9.595 tors. eta vs tors. theta energy: -15.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -202.815803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.815803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.815803 (E_RNA) where: Base-Base interactions energy: -133.409 where: short stacking energy: -58.616 Base-Backbone interact. energy: -0.616 local terms energy: -68.790815 where: bonds (distance) C4'-P energy: -12.448 bonds (distance) P-C4' energy: -17.069 flat angles C4'-P-C4' energy: -14.044 flat angles P-C4'-P energy: -8.747 tors. eta vs tors. theta energy: -16.483 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: 8 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -195.802749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.802749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.802749 (E_RNA) where: Base-Base interactions energy: -122.815 where: short stacking energy: -58.651 Base-Backbone interact. energy: -0.164 local terms energy: -72.822906 where: bonds (distance) C4'-P energy: -15.561 bonds (distance) P-C4' energy: -15.069 flat angles C4'-P-C4' energy: -15.922 flat angles P-C4'-P energy: -8.123 tors. eta vs tors. theta energy: -18.149 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: 9 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -191.025818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.025818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.025818 (E_RNA) where: Base-Base interactions energy: -129.196 where: short stacking energy: -52.700 Base-Backbone interact. energy: -0.032 local terms energy: -61.798208 where: bonds (distance) C4'-P energy: -11.049 bonds (distance) P-C4' energy: -14.034 flat angles C4'-P-C4' energy: -16.523 flat angles P-C4'-P energy: -7.517 tors. eta vs tors. theta energy: -12.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -173.584748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.584748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.584748 (E_RNA) where: Base-Base interactions energy: -117.670 where: short stacking energy: -35.022 Base-Backbone interact. energy: -0.284 local terms energy: -55.630297 where: bonds (distance) C4'-P energy: -15.329 bonds (distance) P-C4' energy: -9.469 flat angles C4'-P-C4' energy: -11.885 flat angles P-C4'-P energy: -9.238 tors. eta vs tors. theta energy: -9.710 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: 1 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -183.272859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.272859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.272859 (E_RNA) where: Base-Base interactions energy: -117.601 where: short stacking energy: -56.038 Base-Backbone interact. energy: -0.258 local terms energy: -65.414442 where: bonds (distance) C4'-P energy: -11.837 bonds (distance) P-C4' energy: -17.317 flat angles C4'-P-C4' energy: -11.219 flat angles P-C4'-P energy: -11.789 tors. eta vs tors. theta energy: -13.253 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: 2 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -182.315075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.315075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.315075 (E_RNA) where: Base-Base interactions energy: -128.514 where: short stacking energy: -48.173 Base-Backbone interact. energy: -0.485 local terms energy: -53.316358 where: bonds (distance) C4'-P energy: -13.040 bonds (distance) P-C4' energy: -11.620 flat angles C4'-P-C4' energy: -10.919 flat angles P-C4'-P energy: -6.872 tors. eta vs tors. theta energy: -10.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -106.623679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.623679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.623679 (E_RNA) where: Base-Base interactions energy: -59.676 where: short stacking energy: -33.476 Base-Backbone interact. energy: -0.237 local terms energy: -46.710917 where: bonds (distance) C4'-P energy: -9.765 bonds (distance) P-C4' energy: -13.116 flat angles C4'-P-C4' energy: -13.386 flat angles P-C4'-P energy: -7.801 tors. eta vs tors. theta energy: -2.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -74.967320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.967320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.967320 (E_RNA) where: Base-Base interactions energy: -32.834 where: short stacking energy: -32.834 Base-Backbone interact. energy: -0.208 local terms energy: -41.925666 where: bonds (distance) C4'-P energy: -8.598 bonds (distance) P-C4' energy: -8.087 flat angles C4'-P-C4' energy: -8.666 flat angles P-C4'-P energy: -9.462 tors. eta vs tors. theta energy: -7.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -74.163059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.163059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.163059 (E_RNA) where: Base-Base interactions energy: -24.452 where: short stacking energy: -22.707 Base-Backbone interact. energy: -0.209 local terms energy: -49.501932 where: bonds (distance) C4'-P energy: -12.733 bonds (distance) P-C4' energy: -16.483 flat angles C4'-P-C4' energy: -14.414 flat angles P-C4'-P energy: -9.113 tors. eta vs tors. theta energy: 3.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -221.561885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.561885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.561885 (E_RNA) where: Base-Base interactions energy: -153.518 where: short stacking energy: -65.454 Base-Backbone interact. energy: -0.217 local terms energy: -67.826674 where: bonds (distance) C4'-P energy: -15.442 bonds (distance) P-C4' energy: -16.608 flat angles C4'-P-C4' energy: -12.999 flat angles P-C4'-P energy: -6.192 tors. eta vs tors. theta energy: -16.586 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: 10 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -215.324913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.324913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.324913 (E_RNA) where: Base-Base interactions energy: -150.498 where: short stacking energy: -66.056 Base-Backbone interact. energy: -0.402 local terms energy: -64.425826 where: bonds (distance) C4'-P energy: -13.263 bonds (distance) P-C4' energy: -13.955 flat angles C4'-P-C4' energy: -15.003 flat angles P-C4'-P energy: -4.959 tors. eta vs tors. theta energy: -17.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -200.775975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.775975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.775975 (E_RNA) where: Base-Base interactions energy: -137.236 where: short stacking energy: -60.558 Base-Backbone interact. energy: -0.515 local terms energy: -63.025154 where: bonds (distance) C4'-P energy: -11.131 bonds (distance) P-C4' energy: -13.324 flat angles C4'-P-C4' energy: -15.026 flat angles P-C4'-P energy: -9.563 tors. eta vs tors. theta energy: -13.980 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: 4 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -189.326738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.326738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.326738 (E_RNA) where: Base-Base interactions energy: -129.261 where: short stacking energy: -49.330 Base-Backbone interact. energy: -0.166 local terms energy: -59.899445 where: bonds (distance) C4'-P energy: -10.565 bonds (distance) P-C4' energy: -14.585 flat angles C4'-P-C4' energy: -16.132 flat angles P-C4'-P energy: -6.871 tors. eta vs tors. theta energy: -11.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -192.558773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.558773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.558773 (E_RNA) where: Base-Base interactions energy: -124.524 where: short stacking energy: -52.226 Base-Backbone interact. energy: 0.180 local terms energy: -68.214771 where: bonds (distance) C4'-P energy: -10.577 bonds (distance) P-C4' energy: -15.634 flat angles C4'-P-C4' energy: -14.704 flat angles P-C4'-P energy: -11.368 tors. eta vs tors. theta energy: -15.931 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: 2 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -179.090825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.090825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.090825 (E_RNA) where: Base-Base interactions energy: -125.849 where: short stacking energy: -49.605 Base-Backbone interact. energy: -0.037 local terms energy: -53.204258 where: bonds (distance) C4'-P energy: -13.115 bonds (distance) P-C4' energy: -13.675 flat angles C4'-P-C4' energy: -9.673 flat angles P-C4'-P energy: -4.246 tors. eta vs tors. theta energy: -12.496 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: 1 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -164.309644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.309644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.309644 (E_RNA) where: Base-Base interactions energy: -105.800 where: short stacking energy: -51.132 Base-Backbone interact. energy: -0.072 local terms energy: -58.437258 where: bonds (distance) C4'-P energy: -15.602 bonds (distance) P-C4' energy: -12.645 flat angles C4'-P-C4' energy: -14.025 flat angles P-C4'-P energy: -5.878 tors. eta vs tors. theta energy: -10.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -90.781962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.781962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.781962 (E_RNA) where: Base-Base interactions energy: -36.728 where: short stacking energy: -36.527 Base-Backbone interact. energy: -0.089 local terms energy: -53.964796 where: bonds (distance) C4'-P energy: -14.464 bonds (distance) P-C4' energy: -12.684 flat angles C4'-P-C4' energy: -13.497 flat angles P-C4'-P energy: -8.872 tors. eta vs tors. theta energy: -4.449 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: 6 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -123.094821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.094821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.094821 (E_RNA) where: Base-Base interactions energy: -73.238 where: short stacking energy: -41.229 Base-Backbone interact. energy: -0.676 local terms energy: -49.180061 where: bonds (distance) C4'-P energy: -8.073 bonds (distance) P-C4' energy: -13.106 flat angles C4'-P-C4' energy: -15.710 flat angles P-C4'-P energy: -9.004 tors. eta vs tors. theta energy: -3.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -92.542409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.542409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.542409 (E_RNA) where: Base-Base interactions energy: -42.516 where: short stacking energy: -30.302 Base-Backbone interact. energy: -0.088 local terms energy: -49.938672 where: bonds (distance) C4'-P energy: -14.260 bonds (distance) P-C4' energy: -17.463 flat angles C4'-P-C4' energy: -8.623 flat angles P-C4'-P energy: -5.580 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: 1, replica: 10 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -216.885437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.885437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.885437 (E_RNA) where: Base-Base interactions energy: -152.375 where: short stacking energy: -61.939 Base-Backbone interact. energy: -0.227 local terms energy: -64.282961 where: bonds (distance) C4'-P energy: -13.790 bonds (distance) P-C4' energy: -14.582 flat angles C4'-P-C4' energy: -14.710 flat angles P-C4'-P energy: -6.600 tors. eta vs tors. theta energy: -14.601 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: 7 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -217.475046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.475046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.475046 (E_RNA) where: Base-Base interactions energy: -150.607 where: short stacking energy: -65.168 Base-Backbone interact. energy: -0.012 local terms energy: -66.855792 where: bonds (distance) C4'-P energy: -11.906 bonds (distance) P-C4' energy: -15.116 flat angles C4'-P-C4' energy: -16.392 flat angles P-C4'-P energy: -9.051 tors. eta vs tors. theta energy: -14.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -204.501463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.501463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.501463 (E_RNA) where: Base-Base interactions energy: -137.638 where: short stacking energy: -59.252 Base-Backbone interact. energy: -0.289 local terms energy: -66.575199 where: bonds (distance) C4'-P energy: -9.969 bonds (distance) P-C4' energy: -15.162 flat angles C4'-P-C4' energy: -13.374 flat angles P-C4'-P energy: -12.298 tors. eta vs tors. theta energy: -15.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -201.151054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.151054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.151054 (E_RNA) where: Base-Base interactions energy: -132.819 where: short stacking energy: -62.726 Base-Backbone interact. energy: -0.652 local terms energy: -67.679839 where: bonds (distance) C4'-P energy: -12.465 bonds (distance) P-C4' energy: -15.867 flat angles C4'-P-C4' energy: -11.984 flat angles P-C4'-P energy: -10.122 tors. eta vs tors. theta energy: -17.242 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: 2 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -195.484929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.484929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.484929 (E_RNA) where: Base-Base interactions energy: -138.268 where: short stacking energy: -57.843 Base-Backbone interact. energy: -0.088 local terms energy: -57.128903 where: bonds (distance) C4'-P energy: -14.729 bonds (distance) P-C4' energy: -15.278 flat angles C4'-P-C4' energy: -11.736 flat angles P-C4'-P energy: -4.527 tors. eta vs tors. theta energy: -10.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -186.953292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.953292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.953292 (E_RNA) where: Base-Base interactions energy: -125.131 where: short stacking energy: -47.854 Base-Backbone interact. energy: -0.015 local terms energy: -61.807743 where: bonds (distance) C4'-P energy: -12.440 bonds (distance) P-C4' energy: -15.423 flat angles C4'-P-C4' energy: -12.545 flat angles P-C4'-P energy: -6.763 tors. eta vs tors. theta energy: -14.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -175.170239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.170239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.170239 (E_RNA) where: Base-Base interactions energy: -118.475 where: short stacking energy: -50.072 Base-Backbone interact. energy: -0.113 local terms energy: -56.582618 where: bonds (distance) C4'-P energy: -5.574 bonds (distance) P-C4' energy: -17.109 flat angles C4'-P-C4' energy: -13.255 flat angles P-C4'-P energy: -7.281 tors. eta vs tors. theta energy: -13.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -95.379679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.379679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.379679 (E_RNA) where: Base-Base interactions energy: -41.897 where: short stacking energy: -41.897 Base-Backbone interact. energy: -0.268 local terms energy: -53.214797 where: bonds (distance) C4'-P energy: -11.012 bonds (distance) P-C4' energy: -11.868 flat angles C4'-P-C4' energy: -12.301 flat angles P-C4'-P energy: -9.544 tors. eta vs tors. theta energy: -8.490 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: 5 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -80.428225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.428225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.428225 (E_RNA) where: Base-Base interactions energy: -26.833 where: short stacking energy: -26.833 Base-Backbone interact. energy: -0.033 local terms energy: -53.562451 where: bonds (distance) C4'-P energy: -10.452 bonds (distance) P-C4' energy: -16.833 flat angles C4'-P-C4' energy: -12.927 flat angles P-C4'-P energy: -7.318 tors. eta vs tors. theta energy: -6.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -80.226214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.226214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.226214 (E_RNA) where: Base-Base interactions energy: -33.576 where: short stacking energy: -23.946 Base-Backbone interact. energy: -0.313 local terms energy: -46.337776 where: bonds (distance) C4'-P energy: -11.144 bonds (distance) P-C4' energy: -10.695 flat angles C4'-P-C4' energy: -11.563 flat angles P-C4'-P energy: -6.526 tors. eta vs tors. theta energy: -6.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -219.700156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.700156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.700156 (E_RNA) where: Base-Base interactions energy: -154.712 where: short stacking energy: -63.683 Base-Backbone interact. energy: -0.083 local terms energy: -64.904785 where: bonds (distance) C4'-P energy: -13.950 bonds (distance) P-C4' energy: -15.778 flat angles C4'-P-C4' energy: -12.471 flat angles P-C4'-P energy: -9.228 tors. eta vs tors. theta energy: -13.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -208.674738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.674738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.674738 (E_RNA) where: Base-Base interactions energy: -136.333 where: short stacking energy: -62.844 Base-Backbone interact. energy: -0.912 local terms energy: -71.429946 where: bonds (distance) C4'-P energy: -12.333 bonds (distance) P-C4' energy: -14.829 flat angles C4'-P-C4' energy: -15.219 flat angles P-C4'-P energy: -11.412 tors. eta vs tors. theta energy: -17.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -205.169697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.169697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.169697 (E_RNA) where: Base-Base interactions energy: -131.832 where: short stacking energy: -61.028 Base-Backbone interact. energy: -0.475 local terms energy: -72.863156 where: bonds (distance) C4'-P energy: -13.532 bonds (distance) P-C4' energy: -13.554 flat angles C4'-P-C4' energy: -15.406 flat angles P-C4'-P energy: -10.309 tors. eta vs tors. theta energy: -20.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -201.589485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.589485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.589485 (E_RNA) where: Base-Base interactions energy: -132.491 where: short stacking energy: -52.041 Base-Backbone interact. energy: 0.056 local terms energy: -69.154331 where: bonds (distance) C4'-P energy: -14.988 bonds (distance) P-C4' energy: -15.262 flat angles C4'-P-C4' energy: -11.410 flat angles P-C4'-P energy: -13.563 tors. eta vs tors. theta energy: -13.931 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: 217 Temperature: 1.100000 Total energy: -183.373022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.373022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.373022 (E_RNA) where: Base-Base interactions energy: -117.567 where: short stacking energy: -52.680 Base-Backbone interact. energy: -0.001 local terms energy: -65.804357 where: bonds (distance) C4'-P energy: -11.323 bonds (distance) P-C4' energy: -14.135 flat angles C4'-P-C4' energy: -14.988 flat angles P-C4'-P energy: -11.262 tors. eta vs tors. theta energy: -14.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -182.920427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.920427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.920427 (E_RNA) where: Base-Base interactions energy: -120.782 where: short stacking energy: -49.215 Base-Backbone interact. energy: -0.271 local terms energy: -61.868076 where: bonds (distance) C4'-P energy: -12.550 bonds (distance) P-C4' energy: -12.661 flat angles C4'-P-C4' energy: -13.607 flat angles P-C4'-P energy: -10.290 tors. eta vs tors. theta energy: -12.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -160.255962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.255962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.255962 (E_RNA) where: Base-Base interactions energy: -101.516 where: short stacking energy: -41.889 Base-Backbone interact. energy: -0.430 local terms energy: -58.309793 where: bonds (distance) C4'-P energy: -9.446 bonds (distance) P-C4' energy: -14.189 flat angles C4'-P-C4' energy: -14.461 flat angles P-C4'-P energy: -10.085 tors. eta vs tors. theta energy: -10.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -88.563814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.563814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.563814 (E_RNA) where: Base-Base interactions energy: -37.896 where: short stacking energy: -32.576 Base-Backbone interact. energy: -0.764 local terms energy: -49.903325 where: bonds (distance) C4'-P energy: -13.781 bonds (distance) P-C4' energy: -14.484 flat angles C4'-P-C4' energy: -8.183 flat angles P-C4'-P energy: -5.018 tors. eta vs tors. theta energy: -8.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -80.905276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.905276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.905276 (E_RNA) where: Base-Base interactions energy: -25.026 where: short stacking energy: -24.728 Base-Backbone interact. energy: -0.220 local terms energy: -55.659994 where: bonds (distance) C4'-P energy: -12.305 bonds (distance) P-C4' energy: -17.467 flat angles C4'-P-C4' energy: -12.298 flat angles P-C4'-P energy: -9.588 tors. eta vs tors. theta energy: -4.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -78.872285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.872285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.872285 (E_RNA) where: Base-Base interactions energy: -31.291 where: short stacking energy: -30.712 Base-Backbone interact. energy: -0.001 local terms energy: -47.580160 where: bonds (distance) C4'-P energy: -7.678 bonds (distance) P-C4' energy: -12.138 flat angles C4'-P-C4' energy: -12.537 flat angles P-C4'-P energy: -8.619 tors. eta vs tors. theta energy: -6.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -209.903419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.903419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.903419 (E_RNA) where: Base-Base interactions energy: -136.597 where: short stacking energy: -60.830 Base-Backbone interact. energy: -0.087 local terms energy: -73.219113 where: bonds (distance) C4'-P energy: -16.295 bonds (distance) P-C4' energy: -14.884 flat angles C4'-P-C4' energy: -13.815 flat angles P-C4'-P energy: -12.501 tors. eta vs tors. theta energy: -15.724 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: 10 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -210.645788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.645788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.645788 (E_RNA) where: Base-Base interactions energy: -144.507 where: short stacking energy: -60.525 Base-Backbone interact. energy: -0.492 local terms energy: -65.646795 where: bonds (distance) C4'-P energy: -12.903 bonds (distance) P-C4' energy: -12.584 flat angles C4'-P-C4' energy: -15.478 flat angles P-C4'-P energy: -9.134 tors. eta vs tors. theta energy: -15.548 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: 2 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -202.990072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.990072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.990072 (E_RNA) where: Base-Base interactions energy: -132.789 where: short stacking energy: -67.034 Base-Backbone interact. energy: -0.016 local terms energy: -70.185509 where: bonds (distance) C4'-P energy: -14.253 bonds (distance) P-C4' energy: -13.327 flat angles C4'-P-C4' energy: -13.610 flat angles P-C4'-P energy: -7.039 tors. eta vs tors. theta energy: -21.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -202.421611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.421611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.421611 (E_RNA) where: Base-Base interactions energy: -141.692 where: short stacking energy: -61.088 Base-Backbone interact. energy: 0.305 local terms energy: -61.034215 where: bonds (distance) C4'-P energy: -13.218 bonds (distance) P-C4' energy: -11.147 flat angles C4'-P-C4' energy: -11.953 flat angles P-C4'-P energy: -9.875 tors. eta vs tors. theta energy: -14.842 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: 9 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -187.956381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.956381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.956381 (E_RNA) where: Base-Base interactions energy: -125.645 where: short stacking energy: -49.475 Base-Backbone interact. energy: 0.436 local terms energy: -62.747593 where: bonds (distance) C4'-P energy: -13.843 bonds (distance) P-C4' energy: -16.364 flat angles C4'-P-C4' energy: -14.442 flat angles P-C4'-P energy: -5.395 tors. eta vs tors. theta energy: -12.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -172.024675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.024675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.024675 (E_RNA) where: Base-Base interactions energy: -111.987 where: short stacking energy: -53.945 Base-Backbone interact. energy: -0.121 local terms energy: -59.916714 where: bonds (distance) C4'-P energy: -12.109 bonds (distance) P-C4' energy: -8.877 flat angles C4'-P-C4' energy: -14.445 flat angles P-C4'-P energy: -10.925 tors. eta vs tors. theta energy: -13.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -172.615805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.615805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.615805 (E_RNA) where: Base-Base interactions energy: -110.459 where: short stacking energy: -52.238 Base-Backbone interact. energy: -0.089 local terms energy: -62.067885 where: bonds (distance) C4'-P energy: -15.494 bonds (distance) P-C4' energy: -13.740 flat angles C4'-P-C4' energy: -17.244 flat angles P-C4'-P energy: -7.786 tors. eta vs tors. theta energy: -7.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -89.779530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.779530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.779530 (E_RNA) where: Base-Base interactions energy: -48.240 where: short stacking energy: -31.246 Base-Backbone interact. energy: -0.817 local terms energy: -40.723043 where: bonds (distance) C4'-P energy: -6.581 bonds (distance) P-C4' energy: -12.563 flat angles C4'-P-C4' energy: -8.904 flat angles P-C4'-P energy: -7.609 tors. eta vs tors. theta energy: -5.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -79.249043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.249043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.249043 (E_RNA) where: Base-Base interactions energy: -31.805 where: short stacking energy: -26.915 Base-Backbone interact. energy: -0.166 local terms energy: -47.278208 where: bonds (distance) C4'-P energy: -9.608 bonds (distance) P-C4' energy: -12.744 flat angles C4'-P-C4' energy: -10.747 flat angles P-C4'-P energy: -8.265 tors. eta vs tors. theta energy: -5.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -71.627309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.627309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.627309 (E_RNA) where: Base-Base interactions energy: -29.751 where: short stacking energy: -29.751 Base-Backbone interact. energy: -0.122 local terms energy: -41.754990 where: bonds (distance) C4'-P energy: -2.910 bonds (distance) P-C4' energy: -14.826 flat angles C4'-P-C4' energy: -14.367 flat angles P-C4'-P energy: -6.344 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: 1, replica: 4 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -204.353020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.353020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.353020 (E_RNA) where: Base-Base interactions energy: -134.346 where: short stacking energy: -62.430 Base-Backbone interact. energy: -0.003 local terms energy: -70.003380 where: bonds (distance) C4'-P energy: -10.120 bonds (distance) P-C4' energy: -14.107 flat angles C4'-P-C4' energy: -18.174 flat angles P-C4'-P energy: -9.907 tors. eta vs tors. theta energy: -17.695 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: 10 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -218.394243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.394243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.394243 (E_RNA) where: Base-Base interactions energy: -148.977 where: short stacking energy: -63.239 Base-Backbone interact. energy: 0.632 local terms energy: -70.049300 where: bonds (distance) C4'-P energy: -12.423 bonds (distance) P-C4' energy: -17.237 flat angles C4'-P-C4' energy: -13.232 flat angles P-C4'-P energy: -11.267 tors. eta vs tors. theta energy: -15.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -201.789751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.789751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.789751 (E_RNA) where: Base-Base interactions energy: -128.967 where: short stacking energy: -62.726 Base-Backbone interact. energy: -0.005 local terms energy: -72.817342 where: bonds (distance) C4'-P energy: -12.424 bonds (distance) P-C4' energy: -17.066 flat angles C4'-P-C4' energy: -15.744 flat angles P-C4'-P energy: -10.771 tors. eta vs tors. theta energy: -16.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -209.255407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.255407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.255407 (E_RNA) where: Base-Base interactions energy: -144.591 where: short stacking energy: -50.207 Base-Backbone interact. energy: -0.827 local terms energy: -63.837981 where: bonds (distance) C4'-P energy: -15.763 bonds (distance) P-C4' energy: -14.986 flat angles C4'-P-C4' energy: -11.912 flat angles P-C4'-P energy: -9.898 tors. eta vs tors. theta energy: -11.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -200.509938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.509938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.509938 (E_RNA) where: Base-Base interactions energy: -133.439 where: short stacking energy: -58.028 Base-Backbone interact. energy: -0.184 local terms energy: -66.887222 where: bonds (distance) C4'-P energy: -14.945 bonds (distance) P-C4' energy: -15.825 flat angles C4'-P-C4' energy: -13.534 flat angles P-C4'-P energy: -5.034 tors. eta vs tors. theta energy: -17.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -164.439803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.439803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.439803 (E_RNA) where: Base-Base interactions energy: -108.631 where: short stacking energy: -46.180 Base-Backbone interact. energy: -0.116 local terms energy: -55.692884 where: bonds (distance) C4'-P energy: -14.138 bonds (distance) P-C4' energy: -12.943 flat angles C4'-P-C4' energy: -11.178 flat angles P-C4'-P energy: -11.262 tors. eta vs tors. theta energy: -6.173 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: 1 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -157.683308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.683308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.683308 (E_RNA) where: Base-Base interactions energy: -104.228 where: short stacking energy: -42.056 Base-Backbone interact. energy: -0.071 local terms energy: -53.384839 where: bonds (distance) C4'-P energy: -11.599 bonds (distance) P-C4' energy: -8.339 flat angles C4'-P-C4' energy: -9.859 flat angles P-C4'-P energy: -11.893 tors. eta vs tors. theta energy: -11.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -80.589184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.589184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.589184 (E_RNA) where: Base-Base interactions energy: -25.195 where: short stacking energy: -18.958 Base-Backbone interact. energy: -0.663 local terms energy: -54.730637 where: bonds (distance) C4'-P energy: -16.058 bonds (distance) P-C4' energy: -16.602 flat angles C4'-P-C4' energy: -14.349 flat angles P-C4'-P energy: -10.663 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: 9, replica: 3 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -84.582189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.582189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.582189 (E_RNA) where: Base-Base interactions energy: -42.066 where: short stacking energy: -21.802 Base-Backbone interact. energy: -0.185 local terms energy: -42.330944 where: bonds (distance) C4'-P energy: -15.190 bonds (distance) P-C4' energy: -10.471 flat angles C4'-P-C4' energy: -11.185 flat angles P-C4'-P energy: -4.795 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: 5 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -83.189401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.189401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.189401 (E_RNA) where: Base-Base interactions energy: -44.028 where: short stacking energy: -32.742 Base-Backbone interact. energy: -0.930 local terms energy: -38.232113 where: bonds (distance) C4'-P energy: -3.120 bonds (distance) P-C4' energy: -12.549 flat angles C4'-P-C4' energy: -8.194 flat angles P-C4'-P energy: -5.827 tors. eta vs tors. theta energy: -8.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -217.627574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.627574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.627574 (E_RNA) where: Base-Base interactions energy: -154.152 where: short stacking energy: -63.264 Base-Backbone interact. energy: -0.051 local terms energy: -63.424206 where: bonds (distance) C4'-P energy: -11.972 bonds (distance) P-C4' energy: -11.287 flat angles C4'-P-C4' energy: -13.444 flat angles P-C4'-P energy: -10.253 tors. eta vs tors. theta energy: -16.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -207.247387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.247387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.247387 (E_RNA) where: Base-Base interactions energy: -127.079 where: short stacking energy: -64.383 Base-Backbone interact. energy: -0.001 local terms energy: -80.167261 where: bonds (distance) C4'-P energy: -15.110 bonds (distance) P-C4' energy: -16.253 flat angles C4'-P-C4' energy: -15.318 flat angles P-C4'-P energy: -12.933 tors. eta vs tors. theta energy: -20.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -203.765964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.765964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.765964 (E_RNA) where: Base-Base interactions energy: -131.171 where: short stacking energy: -67.732 Base-Backbone interact. energy: -0.069 local terms energy: -72.525870 where: bonds (distance) C4'-P energy: -11.135 bonds (distance) P-C4' energy: -15.336 flat angles C4'-P-C4' energy: -15.978 flat angles P-C4'-P energy: -12.251 tors. eta vs tors. theta energy: -17.826 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: 4, replica: 2 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -197.846834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.846834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.846834 (E_RNA) where: Base-Base interactions energy: -127.588 where: short stacking energy: -60.175 Base-Backbone interact. energy: 0.139 local terms energy: -70.397324 where: bonds (distance) C4'-P energy: -11.331 bonds (distance) P-C4' energy: -15.205 flat angles C4'-P-C4' energy: -15.418 flat angles P-C4'-P energy: -12.387 tors. eta vs tors. theta energy: -16.057 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: 8 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -187.800860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.800860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.800860 (E_RNA) where: Base-Base interactions energy: -124.425 where: short stacking energy: -54.825 Base-Backbone interact. energy: -0.203 local terms energy: -63.172428 where: bonds (distance) C4'-P energy: -15.466 bonds (distance) P-C4' energy: -12.036 flat angles C4'-P-C4' energy: -12.747 flat angles P-C4'-P energy: -10.271 tors. eta vs tors. theta energy: -12.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -202.058411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.058411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.058411 (E_RNA) where: Base-Base interactions energy: -136.281 where: short stacking energy: -60.284 Base-Backbone interact. energy: 3.454 local terms energy: -69.232017 where: bonds (distance) C4'-P energy: -16.140 bonds (distance) P-C4' energy: -14.814 flat angles C4'-P-C4' energy: -12.009 flat angles P-C4'-P energy: -9.430 tors. eta vs tors. theta energy: -16.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -114.243933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.243933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.243933 (E_RNA) where: Base-Base interactions energy: -63.539 where: short stacking energy: -36.885 Base-Backbone interact. energy: -0.122 local terms energy: -50.582526 where: bonds (distance) C4'-P energy: -14.206 bonds (distance) P-C4' energy: -7.857 flat angles C4'-P-C4' energy: -15.951 flat angles P-C4'-P energy: -8.501 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: 8, replica: 1 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -151.562236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.562236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.562236 (E_RNA) where: Base-Base interactions energy: -93.883 where: short stacking energy: -42.904 Base-Backbone interact. energy: 0.448 local terms energy: -58.127891 where: bonds (distance) C4'-P energy: -16.828 bonds (distance) P-C4' energy: -8.907 flat angles C4'-P-C4' energy: -13.900 flat angles P-C4'-P energy: -9.809 tors. eta vs tors. theta energy: -8.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -88.470317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.470317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.470317 (E_RNA) where: Base-Base interactions energy: -43.010 where: short stacking energy: -27.743 Base-Backbone interact. energy: -0.264 local terms energy: -45.196079 where: bonds (distance) C4'-P energy: -11.057 bonds (distance) P-C4' energy: -15.244 flat angles C4'-P-C4' energy: -12.714 flat angles P-C4'-P energy: 0.747 tors. eta vs tors. theta energy: -6.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -75.850392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.850392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.850392 (E_RNA) where: Base-Base interactions energy: -29.000 where: short stacking energy: -27.819 Base-Backbone interact. energy: -0.157 local terms energy: -46.693777 where: bonds (distance) C4'-P energy: -14.332 bonds (distance) P-C4' energy: -11.247 flat angles C4'-P-C4' energy: -13.233 flat angles P-C4'-P energy: -4.707 tors. eta vs tors. theta energy: -3.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -219.253725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.253725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.253725 (E_RNA) where: Base-Base interactions energy: -149.372 where: short stacking energy: -62.732 Base-Backbone interact. energy: -1.803 local terms energy: -68.078838 where: bonds (distance) C4'-P energy: -13.441 bonds (distance) P-C4' energy: -9.977 flat angles C4'-P-C4' energy: -15.632 flat angles P-C4'-P energy: -10.688 tors. eta vs tors. theta energy: -18.341 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: 9 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -210.050007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.050007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.050007 (E_RNA) where: Base-Base interactions energy: -141.494 where: short stacking energy: -60.277 Base-Backbone interact. energy: -0.123 local terms energy: -68.433203 where: bonds (distance) C4'-P energy: -14.120 bonds (distance) P-C4' energy: -16.787 flat angles C4'-P-C4' energy: -14.726 flat angles P-C4'-P energy: -5.867 tors. eta vs tors. theta energy: -16.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -200.860583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.860583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.860583 (E_RNA) where: Base-Base interactions energy: -138.513 where: short stacking energy: -57.133 Base-Backbone interact. energy: -0.191 local terms energy: -62.157123 where: bonds (distance) C4'-P energy: -16.662 bonds (distance) P-C4' energy: -10.849 flat angles C4'-P-C4' energy: -14.768 flat angles P-C4'-P energy: -8.491 tors. eta vs tors. theta energy: -11.387 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: 8 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -186.986371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.986371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.986371 (E_RNA) where: Base-Base interactions energy: -119.557 where: short stacking energy: -66.184 Base-Backbone interact. energy: -0.322 local terms energy: -67.107915 where: bonds (distance) C4'-P energy: -12.594 bonds (distance) P-C4' energy: -15.829 flat angles C4'-P-C4' energy: -15.061 flat angles P-C4'-P energy: -5.673 tors. eta vs tors. theta energy: -17.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -199.119189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.119189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.119189 (E_RNA) where: Base-Base interactions energy: -126.259 where: short stacking energy: -59.323 Base-Backbone interact. energy: -0.239 local terms energy: -72.620724 where: bonds (distance) C4'-P energy: -15.061 bonds (distance) P-C4' energy: -14.861 flat angles C4'-P-C4' energy: -14.198 flat angles P-C4'-P energy: -8.979 tors. eta vs tors. theta energy: -19.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -195.565708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.565708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.565708 (E_RNA) where: Base-Base interactions energy: -131.566 where: short stacking energy: -62.851 Base-Backbone interact. energy: -0.027 local terms energy: -63.972977 where: bonds (distance) C4'-P energy: -13.342 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -14.848 flat angles P-C4'-P energy: -10.549 tors. eta vs tors. theta energy: -16.611 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: 6 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -134.798906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.798906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.798906 (E_RNA) where: Base-Base interactions energy: -81.113 where: short stacking energy: -40.044 Base-Backbone interact. energy: 0.854 local terms energy: -54.540399 where: bonds (distance) C4'-P energy: -7.043 bonds (distance) P-C4' energy: -17.352 flat angles C4'-P-C4' energy: -13.245 flat angles P-C4'-P energy: -4.178 tors. eta vs tors. theta energy: -12.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -135.892401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.892401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.892401 (E_RNA) where: Base-Base interactions energy: -74.540 where: short stacking energy: -34.777 Base-Backbone interact. energy: -0.328 local terms energy: -61.024789 where: bonds (distance) C4'-P energy: -16.331 bonds (distance) P-C4' energy: -14.501 flat angles C4'-P-C4' energy: -14.141 flat angles P-C4'-P energy: -9.820 tors. eta vs tors. theta energy: -6.231 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: 5 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -69.676835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.676835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.676835 (E_RNA) where: Base-Base interactions energy: -24.830 where: short stacking energy: -23.102 Base-Backbone interact. energy: 0.258 local terms energy: -45.104025 where: bonds (distance) C4'-P energy: -14.270 bonds (distance) P-C4' energy: -12.299 flat angles C4'-P-C4' energy: -10.029 flat angles P-C4'-P energy: -7.953 tors. eta vs tors. theta energy: -0.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -84.404574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.404574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.404574 (E_RNA) where: Base-Base interactions energy: -32.657 where: short stacking energy: -24.466 Base-Backbone interact. energy: -0.349 local terms energy: -51.397691 where: bonds (distance) C4'-P energy: -14.014 bonds (distance) P-C4' energy: -13.951 flat angles C4'-P-C4' energy: -12.047 flat angles P-C4'-P energy: -7.055 tors. eta vs tors. theta energy: -4.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -216.686732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.686732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.686732 (E_RNA) where: Base-Base interactions energy: -145.036 where: short stacking energy: -69.524 Base-Backbone interact. energy: -0.099 local terms energy: -71.551579 where: bonds (distance) C4'-P energy: -13.669 bonds (distance) P-C4' energy: -11.851 flat angles C4'-P-C4' energy: -15.018 flat angles P-C4'-P energy: -9.487 tors. eta vs tors. theta energy: -21.526 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: 10 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -216.427720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.427720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.427720 (E_RNA) where: Base-Base interactions energy: -146.744 where: short stacking energy: -55.612 Base-Backbone interact. energy: -0.617 local terms energy: -69.066760 where: bonds (distance) C4'-P energy: -16.153 bonds (distance) P-C4' energy: -13.755 flat angles C4'-P-C4' energy: -14.385 flat angles P-C4'-P energy: -7.096 tors. eta vs tors. theta energy: -17.677 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: 8 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -193.351332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.351332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.351332 (E_RNA) where: Base-Base interactions energy: -126.705 where: short stacking energy: -63.490 Base-Backbone interact. energy: -0.311 local terms energy: -66.334997 where: bonds (distance) C4'-P energy: -13.362 bonds (distance) P-C4' energy: -12.948 flat angles C4'-P-C4' energy: -14.650 flat angles P-C4'-P energy: -10.321 tors. eta vs tors. theta energy: -15.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -199.552628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.552628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.552628 (E_RNA) where: Base-Base interactions energy: -137.196 where: short stacking energy: -52.463 Base-Backbone interact. energy: -0.148 local terms energy: -62.209170 where: bonds (distance) C4'-P energy: -12.853 bonds (distance) P-C4' energy: -13.239 flat angles C4'-P-C4' energy: -16.080 flat angles P-C4'-P energy: -8.357 tors. eta vs tors. theta energy: -11.680 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: 5, replica: 7 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -202.030751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.030751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.030751 (E_RNA) where: Base-Base interactions energy: -140.145 where: short stacking energy: -61.780 Base-Backbone interact. energy: 0.219 local terms energy: -62.104471 where: bonds (distance) C4'-P energy: -13.073 bonds (distance) P-C4' energy: -13.374 flat angles C4'-P-C4' energy: -12.514 flat angles P-C4'-P energy: -7.302 tors. eta vs tors. theta energy: -15.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -185.235920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.235920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.235920 (E_RNA) where: Base-Base interactions energy: -120.189 where: short stacking energy: -44.762 Base-Backbone interact. energy: -0.014 local terms energy: -65.033307 where: bonds (distance) C4'-P energy: -14.576 bonds (distance) P-C4' energy: -13.964 flat angles C4'-P-C4' energy: -15.133 flat angles P-C4'-P energy: -6.250 tors. eta vs tors. theta energy: -15.110 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: 222 Temperature: 1.200000 Total energy: -132.226416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.226416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.226416 (E_RNA) where: Base-Base interactions energy: -84.470 where: short stacking energy: -39.949 Base-Backbone interact. energy: -0.071 local terms energy: -47.685269 where: bonds (distance) C4'-P energy: -15.590 bonds (distance) P-C4' energy: -9.020 flat angles C4'-P-C4' energy: -11.152 flat angles P-C4'-P energy: -2.708 tors. eta vs tors. theta energy: -9.215 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: 6 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -119.813246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.813246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.813246 (E_RNA) where: Base-Base interactions energy: -70.780 where: short stacking energy: -40.656 Base-Backbone interact. energy: -0.279 local terms energy: -48.755105 where: bonds (distance) C4'-P energy: -16.907 bonds (distance) P-C4' energy: -15.193 flat angles C4'-P-C4' energy: -6.461 flat angles P-C4'-P energy: -3.034 tors. eta vs tors. theta energy: -7.160 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: 3 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -76.892971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.892971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.892971 (E_RNA) where: Base-Base interactions energy: -26.651 where: short stacking energy: -24.051 Base-Backbone interact. energy: -0.379 local terms energy: -49.862661 where: bonds (distance) C4'-P energy: -11.927 bonds (distance) P-C4' energy: -12.644 flat angles C4'-P-C4' energy: -13.746 flat angles P-C4'-P energy: -8.824 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: 10, replica: 5 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -73.849564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.849564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.849564 (E_RNA) where: Base-Base interactions energy: -33.352 where: short stacking energy: -33.352 Base-Backbone interact. energy: 0.054 local terms energy: -40.551516 where: bonds (distance) C4'-P energy: -9.732 bonds (distance) P-C4' energy: -11.875 flat angles C4'-P-C4' energy: -9.466 flat angles P-C4'-P energy: -6.887 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: 1, replica: 9 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -215.654307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.654307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.654307 (E_RNA) where: Base-Base interactions energy: -147.361 where: short stacking energy: -70.176 Base-Backbone interact. energy: -0.018 local terms energy: -68.275202 where: bonds (distance) C4'-P energy: -12.071 bonds (distance) P-C4' energy: -14.480 flat angles C4'-P-C4' energy: -14.034 flat angles P-C4'-P energy: -7.660 tors. eta vs tors. theta energy: -20.030 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: 10 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -212.887603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.887603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.887603 (E_RNA) where: Base-Base interactions energy: -145.972 where: short stacking energy: -69.455 Base-Backbone interact. energy: -1.779 local terms energy: -65.136109 where: bonds (distance) C4'-P energy: -13.859 bonds (distance) P-C4' energy: -11.236 flat angles C4'-P-C4' energy: -14.032 flat angles P-C4'-P energy: -9.439 tors. eta vs tors. theta energy: -16.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -184.551145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.551145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.551145 (E_RNA) where: Base-Base interactions energy: -130.547 where: short stacking energy: -52.767 Base-Backbone interact. energy: 0.568 local terms energy: -54.572400 where: bonds (distance) C4'-P energy: -12.047 bonds (distance) P-C4' energy: -11.655 flat angles C4'-P-C4' energy: -11.228 flat angles P-C4'-P energy: -9.514 tors. eta vs tors. theta energy: -10.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -198.336568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.336568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.336568 (E_RNA) where: Base-Base interactions energy: -137.724 where: short stacking energy: -59.173 Base-Backbone interact. energy: -0.510 local terms energy: -60.102972 where: bonds (distance) C4'-P energy: -10.497 bonds (distance) P-C4' energy: -14.396 flat angles C4'-P-C4' energy: -12.554 flat angles P-C4'-P energy: -8.907 tors. eta vs tors. theta energy: -13.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -200.631606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.631606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.631606 (E_RNA) where: Base-Base interactions energy: -134.556 where: short stacking energy: -59.206 Base-Backbone interact. energy: -0.001 local terms energy: -66.074944 where: bonds (distance) C4'-P energy: -11.693 bonds (distance) P-C4' energy: -15.023 flat angles C4'-P-C4' energy: -14.731 flat angles P-C4'-P energy: -7.484 tors. eta vs tors. theta energy: -17.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -173.648909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.648909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.648909 (E_RNA) where: Base-Base interactions energy: -113.051 where: short stacking energy: -37.090 Base-Backbone interact. energy: -0.315 local terms energy: -60.282844 where: bonds (distance) C4'-P energy: -15.662 bonds (distance) P-C4' energy: -14.367 flat angles C4'-P-C4' energy: -14.349 flat angles P-C4'-P energy: -9.393 tors. eta vs tors. theta energy: -6.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -135.268473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.268473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.268473 (E_RNA) where: Base-Base interactions energy: -79.743 where: short stacking energy: -40.549 Base-Backbone interact. energy: 0.475 local terms energy: -55.999622 where: bonds (distance) C4'-P energy: -15.566 bonds (distance) P-C4' energy: -14.127 flat angles C4'-P-C4' energy: -10.990 flat angles P-C4'-P energy: -6.648 tors. eta vs tors. theta energy: -8.669 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: 3 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -82.743826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.743826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.743826 (E_RNA) where: Base-Base interactions energy: -36.134 where: short stacking energy: -26.390 Base-Backbone interact. energy: -0.581 local terms energy: -46.029054 where: bonds (distance) C4'-P energy: -11.314 bonds (distance) P-C4' energy: -7.572 flat angles C4'-P-C4' energy: -14.563 flat angles P-C4'-P energy: -9.775 tors. eta vs tors. theta energy: -2.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -110.898941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.898941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.898941 (E_RNA) where: Base-Base interactions energy: -62.945 where: short stacking energy: -28.549 Base-Backbone interact. energy: -0.952 local terms energy: -47.002229 where: bonds (distance) C4'-P energy: -12.245 bonds (distance) P-C4' energy: -15.587 flat angles C4'-P-C4' energy: -9.696 flat angles P-C4'-P energy: -2.125 tors. eta vs tors. theta energy: -7.349 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: 5 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -86.414014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.414014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.414014 (E_RNA) where: Base-Base interactions energy: -38.759 where: short stacking energy: -38.070 Base-Backbone interact. energy: -0.300 local terms energy: -47.354783 where: bonds (distance) C4'-P energy: -5.294 bonds (distance) P-C4' energy: -10.644 flat angles C4'-P-C4' energy: -10.096 flat angles P-C4'-P energy: -12.053 tors. eta vs tors. theta energy: -9.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -213.551265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.551265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.551265 (E_RNA) where: Base-Base interactions energy: -141.228 where: short stacking energy: -68.148 Base-Backbone interact. energy: -0.711 local terms energy: -71.612659 where: bonds (distance) C4'-P energy: -15.585 bonds (distance) P-C4' energy: -15.064 flat angles C4'-P-C4' energy: -14.305 flat angles P-C4'-P energy: -9.642 tors. eta vs tors. theta energy: -17.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -203.672072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.672072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.672072 (E_RNA) where: Base-Base interactions energy: -134.782 where: short stacking energy: -57.391 Base-Backbone interact. energy: -0.002 local terms energy: -68.888656 where: bonds (distance) C4'-P energy: -13.967 bonds (distance) P-C4' energy: -13.994 flat angles C4'-P-C4' energy: -13.670 flat angles P-C4'-P energy: -10.005 tors. eta vs tors. theta energy: -17.252 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: 4 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -190.218671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.218671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.218671 (E_RNA) where: Base-Base interactions energy: -123.931 where: short stacking energy: -61.192 Base-Backbone interact. energy: -0.007 local terms energy: -66.280104 where: bonds (distance) C4'-P energy: -14.564 bonds (distance) P-C4' energy: -13.873 flat angles C4'-P-C4' energy: -13.288 flat angles P-C4'-P energy: -9.071 tors. eta vs tors. theta energy: -15.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -194.854072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.854072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.854072 (E_RNA) where: Base-Base interactions energy: -132.859 where: short stacking energy: -62.939 Base-Backbone interact. energy: 0.017 local terms energy: -62.012399 where: bonds (distance) C4'-P energy: -9.737 bonds (distance) P-C4' energy: -16.346 flat angles C4'-P-C4' energy: -14.151 flat angles P-C4'-P energy: -5.346 tors. eta vs tors. theta energy: -16.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -208.150528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.150528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.150528 (E_RNA) where: Base-Base interactions energy: -139.303 where: short stacking energy: -62.921 Base-Backbone interact. energy: -0.009 local terms energy: -68.838487 where: bonds (distance) C4'-P energy: -13.534 bonds (distance) P-C4' energy: -13.523 flat angles C4'-P-C4' energy: -10.013 flat angles P-C4'-P energy: -11.886 tors. eta vs tors. theta energy: -19.883 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: 2 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -170.521226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.521226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.521226 (E_RNA) where: Base-Base interactions energy: -108.710 where: short stacking energy: -43.447 Base-Backbone interact. energy: -0.814 local terms energy: -60.996716 where: bonds (distance) C4'-P energy: -16.418 bonds (distance) P-C4' energy: -13.512 flat angles C4'-P-C4' energy: -12.476 flat angles P-C4'-P energy: -9.892 tors. eta vs tors. theta energy: -8.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -121.193120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.193120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.193120 (E_RNA) where: Base-Base interactions energy: -80.230 where: short stacking energy: -29.993 Base-Backbone interact. energy: -0.741 local terms energy: -40.222585 where: bonds (distance) C4'-P energy: -7.438 bonds (distance) P-C4' energy: -13.983 flat angles C4'-P-C4' energy: -9.744 flat angles P-C4'-P energy: -4.364 tors. eta vs tors. theta energy: -4.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -95.910399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.910399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.910399 (E_RNA) where: Base-Base interactions energy: -47.726 where: short stacking energy: -33.971 Base-Backbone interact. energy: 5.853 local terms energy: -54.037189 where: bonds (distance) C4'-P energy: -8.648 bonds (distance) P-C4' energy: -15.395 flat angles C4'-P-C4' energy: -11.124 flat angles P-C4'-P energy: -10.674 tors. eta vs tors. theta energy: -8.197 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: 5 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -82.761986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.761986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.761986 (E_RNA) where: Base-Base interactions energy: -28.395 where: short stacking energy: -28.203 Base-Backbone interact. energy: -0.034 local terms energy: -54.332135 where: bonds (distance) C4'-P energy: -13.260 bonds (distance) P-C4' energy: -16.146 flat angles C4'-P-C4' energy: -11.914 flat angles P-C4'-P energy: -9.972 tors. eta vs tors. theta energy: -3.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -77.824070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.824070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.824070 (E_RNA) where: Base-Base interactions energy: -31.331 where: short stacking energy: -23.256 Base-Backbone interact. energy: -0.311 local terms energy: -46.181713 where: bonds (distance) C4'-P energy: -11.988 bonds (distance) P-C4' energy: -13.201 flat angles C4'-P-C4' energy: -15.533 flat angles P-C4'-P energy: -3.543 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: 1, replica: 10 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -218.534036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.534036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.534036 (E_RNA) where: Base-Base interactions energy: -146.279 where: short stacking energy: -59.883 Base-Backbone interact. energy: -0.071 local terms energy: -72.183228 where: bonds (distance) C4'-P energy: -15.354 bonds (distance) P-C4' energy: -14.816 flat angles C4'-P-C4' energy: -16.829 flat angles P-C4'-P energy: -11.458 tors. eta vs tors. theta energy: -13.727 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: 4 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -204.348747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.348747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.348747 (E_RNA) where: Base-Base interactions energy: -127.946 where: short stacking energy: -65.937 Base-Backbone interact. energy: -0.001 local terms energy: -76.402200 where: bonds (distance) C4'-P energy: -15.867 bonds (distance) P-C4' energy: -16.407 flat angles C4'-P-C4' energy: -14.362 flat angles P-C4'-P energy: -10.069 tors. eta vs tors. theta energy: -19.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -207.073840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.073840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.073840 (E_RNA) where: Base-Base interactions energy: -137.407 where: short stacking energy: -60.210 Base-Backbone interact. energy: -0.014 local terms energy: -69.653168 where: bonds (distance) C4'-P energy: -13.618 bonds (distance) P-C4' energy: -14.598 flat angles C4'-P-C4' energy: -14.454 flat angles P-C4'-P energy: -10.631 tors. eta vs tors. theta energy: -16.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -202.739695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.739695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.739695 (E_RNA) where: Base-Base interactions energy: -136.835 where: short stacking energy: -61.591 Base-Backbone interact. energy: -0.022 local terms energy: -65.882653 where: bonds (distance) C4'-P energy: -12.253 bonds (distance) P-C4' energy: -14.094 flat angles C4'-P-C4' energy: -13.846 flat angles P-C4'-P energy: -11.349 tors. eta vs tors. theta energy: -14.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -169.212323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.212323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.212323 (E_RNA) where: Base-Base interactions energy: -112.366 where: short stacking energy: -50.057 Base-Backbone interact. energy: -0.086 local terms energy: -56.760011 where: bonds (distance) C4'-P energy: -11.773 bonds (distance) P-C4' energy: -9.708 flat angles C4'-P-C4' energy: -13.335 flat angles P-C4'-P energy: -11.014 tors. eta vs tors. theta energy: -10.930 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: 2 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -185.510260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.510260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.510260 (E_RNA) where: Base-Base interactions energy: -123.451 where: short stacking energy: -51.868 Base-Backbone interact. energy: -0.000 local terms energy: -62.059337 where: bonds (distance) C4'-P energy: -16.198 bonds (distance) P-C4' energy: -11.756 flat angles C4'-P-C4' energy: -14.330 flat angles P-C4'-P energy: -8.394 tors. eta vs tors. theta energy: -11.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -94.952220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.952220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.952220 (E_RNA) where: Base-Base interactions energy: -37.098 where: short stacking energy: -37.098 Base-Backbone interact. energy: -0.109 local terms energy: -57.745285 where: bonds (distance) C4'-P energy: -16.526 bonds (distance) P-C4' energy: -16.125 flat angles C4'-P-C4' energy: -11.500 flat angles P-C4'-P energy: -5.901 tors. eta vs tors. theta energy: -7.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -93.673943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.673943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.673943 (E_RNA) where: Base-Base interactions energy: -34.740 where: short stacking energy: -34.740 Base-Backbone interact. energy: -0.035 local terms energy: -58.898534 where: bonds (distance) C4'-P energy: -9.127 bonds (distance) P-C4' energy: -14.177 flat angles C4'-P-C4' energy: -15.815 flat angles P-C4'-P energy: -8.526 tors. eta vs tors. theta energy: -11.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -95.412768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.412768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.412768 (E_RNA) where: Base-Base interactions energy: -45.795 where: short stacking energy: -34.170 Base-Backbone interact. energy: -0.040 local terms energy: -49.577398 where: bonds (distance) C4'-P energy: -6.825 bonds (distance) P-C4' energy: -14.734 flat angles C4'-P-C4' energy: -12.630 flat angles P-C4'-P energy: -8.884 tors. eta vs tors. theta energy: -6.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -85.798649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.798649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.798649 (E_RNA) where: Base-Base interactions energy: -40.391 where: short stacking energy: -18.820 Base-Backbone interact. energy: -0.289 local terms energy: -45.119333 where: bonds (distance) C4'-P energy: -13.482 bonds (distance) P-C4' energy: -13.272 flat angles C4'-P-C4' energy: -7.713 flat angles P-C4'-P energy: -11.724 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: 1, replica: 10 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -219.870129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.870129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.870129 (E_RNA) where: Base-Base interactions energy: -149.983 where: short stacking energy: -65.382 Base-Backbone interact. energy: -0.136 local terms energy: -69.751046 where: bonds (distance) C4'-P energy: -13.540 bonds (distance) P-C4' energy: -17.097 flat angles C4'-P-C4' energy: -15.477 flat angles P-C4'-P energy: -10.604 tors. eta vs tors. theta energy: -13.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -204.988783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.988783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.988783 (E_RNA) where: Base-Base interactions energy: -133.878 where: short stacking energy: -65.984 Base-Backbone interact. energy: -0.006 local terms energy: -71.105375 where: bonds (distance) C4'-P energy: -14.890 bonds (distance) P-C4' energy: -16.361 flat angles C4'-P-C4' energy: -16.577 flat angles P-C4'-P energy: -5.727 tors. eta vs tors. theta energy: -17.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -208.860935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.860935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.860935 (E_RNA) where: Base-Base interactions energy: -135.579 where: short stacking energy: -69.723 Base-Backbone interact. energy: -0.033 local terms energy: -73.249619 where: bonds (distance) C4'-P energy: -12.829 bonds (distance) P-C4' energy: -14.947 flat angles C4'-P-C4' energy: -15.362 flat angles P-C4'-P energy: -9.939 tors. eta vs tors. theta energy: -20.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -193.397388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.397388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.397388 (E_RNA) where: Base-Base interactions energy: -129.657 where: short stacking energy: -53.267 Base-Backbone interact. energy: -0.333 local terms energy: -63.407637 where: bonds (distance) C4'-P energy: -13.524 bonds (distance) P-C4' energy: -14.191 flat angles C4'-P-C4' energy: -12.812 flat angles P-C4'-P energy: -8.528 tors. eta vs tors. theta energy: -14.353 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: 2 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -193.505763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.505763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.505763 (E_RNA) where: Base-Base interactions energy: -131.761 where: short stacking energy: -58.865 Base-Backbone interact. energy: 0.060 local terms energy: -61.804665 where: bonds (distance) C4'-P energy: -14.200 bonds (distance) P-C4' energy: -11.568 flat angles C4'-P-C4' energy: -12.998 flat angles P-C4'-P energy: -7.795 tors. eta vs tors. theta energy: -15.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -175.079636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.079636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.079636 (E_RNA) where: Base-Base interactions energy: -109.683 where: short stacking energy: -47.773 Base-Backbone interact. energy: -0.115 local terms energy: -65.281570 where: bonds (distance) C4'-P energy: -11.470 bonds (distance) P-C4' energy: -11.468 flat angles C4'-P-C4' energy: -15.132 flat angles P-C4'-P energy: -12.880 tors. eta vs tors. theta energy: -14.331 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: 7, replica: 5 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -82.555809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.555809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.555809 (E_RNA) where: Base-Base interactions energy: -36.777 where: short stacking energy: -23.538 Base-Backbone interact. energy: -0.288 local terms energy: -45.490506 where: bonds (distance) C4'-P energy: -12.386 bonds (distance) P-C4' energy: -12.983 flat angles C4'-P-C4' energy: -14.332 flat angles P-C4'-P energy: -6.423 tors. eta vs tors. theta energy: 0.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -93.686991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.686991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.686991 (E_RNA) where: Base-Base interactions energy: -43.407 where: short stacking energy: -27.248 Base-Backbone interact. energy: -0.167 local terms energy: -50.113080 where: bonds (distance) C4'-P energy: -15.324 bonds (distance) P-C4' energy: -10.602 flat angles C4'-P-C4' energy: -14.472 flat angles P-C4'-P energy: -6.306 tors. eta vs tors. theta energy: -3.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -90.653694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.653694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.653694 (E_RNA) where: Base-Base interactions energy: -43.093 where: short stacking energy: -31.526 Base-Backbone interact. energy: -0.244 local terms energy: -47.316206 where: bonds (distance) C4'-P energy: -11.239 bonds (distance) P-C4' energy: -13.263 flat angles C4'-P-C4' energy: -10.782 flat angles P-C4'-P energy: -9.524 tors. eta vs tors. theta energy: -2.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -75.684995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.684995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.684995 (E_RNA) where: Base-Base interactions energy: -26.963 where: short stacking energy: -17.546 Base-Backbone interact. energy: -0.293 local terms energy: -48.429004 where: bonds (distance) C4'-P energy: -15.210 bonds (distance) P-C4' energy: -14.361 flat angles C4'-P-C4' energy: -12.250 flat angles P-C4'-P energy: -5.283 tors. eta vs tors. theta energy: -1.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -221.448116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.448116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.448116 (E_RNA) where: Base-Base interactions energy: -151.696 where: short stacking energy: -61.767 Base-Backbone interact. energy: -0.118 local terms energy: -69.633858 where: bonds (distance) C4'-P energy: -14.845 bonds (distance) P-C4' energy: -15.486 flat angles C4'-P-C4' energy: -14.746 flat angles P-C4'-P energy: -5.521 tors. eta vs tors. theta energy: -19.037 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: 227 Temperature: 0.950000 Total energy: -209.553353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.553353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.553353 (E_RNA) where: Base-Base interactions energy: -137.672 where: short stacking energy: -65.257 Base-Backbone interact. energy: -0.086 local terms energy: -71.794771 where: bonds (distance) C4'-P energy: -13.797 bonds (distance) P-C4' energy: -13.824 flat angles C4'-P-C4' energy: -15.945 flat angles P-C4'-P energy: -9.130 tors. eta vs tors. theta energy: -19.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -201.308313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.308313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.308313 (E_RNA) where: Base-Base interactions energy: -129.578 where: short stacking energy: -69.995 Base-Backbone interact. energy: -0.705 local terms energy: -71.024852 where: bonds (distance) C4'-P energy: -11.284 bonds (distance) P-C4' energy: -15.308 flat angles C4'-P-C4' energy: -14.363 flat angles P-C4'-P energy: -9.554 tors. eta vs tors. theta energy: -20.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -189.730243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.730243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.730243 (E_RNA) where: Base-Base interactions energy: -119.584 where: short stacking energy: -51.429 Base-Backbone interact. energy: -0.011 local terms energy: -70.135804 where: bonds (distance) C4'-P energy: -15.946 bonds (distance) P-C4' energy: -15.932 flat angles C4'-P-C4' energy: -12.688 flat angles P-C4'-P energy: -9.783 tors. eta vs tors. theta energy: -15.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -169.554017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.554017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.554017 (E_RNA) where: Base-Base interactions energy: -104.194 where: short stacking energy: -50.594 Base-Backbone interact. energy: -0.006 local terms energy: -65.353839 where: bonds (distance) C4'-P energy: -16.899 bonds (distance) P-C4' energy: -12.051 flat angles C4'-P-C4' energy: -12.361 flat angles P-C4'-P energy: -12.567 tors. eta vs tors. theta energy: -11.477 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: 8 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -193.549384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.549384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.549384 (E_RNA) where: Base-Base interactions energy: -129.361 where: short stacking energy: -48.077 Base-Backbone interact. energy: 1.557 local terms energy: -65.745084 where: bonds (distance) C4'-P energy: -12.420 bonds (distance) P-C4' energy: -12.717 flat angles C4'-P-C4' energy: -13.911 flat angles P-C4'-P energy: -10.002 tors. eta vs tors. theta energy: -16.696 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: 5 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -124.040434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.040434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.040434 (E_RNA) where: Base-Base interactions energy: -69.051 where: short stacking energy: -35.955 Base-Backbone interact. energy: -0.314 local terms energy: -54.675423 where: bonds (distance) C4'-P energy: -14.339 bonds (distance) P-C4' energy: -16.830 flat angles C4'-P-C4' energy: -4.476 flat angles P-C4'-P energy: -9.443 tors. eta vs tors. theta energy: -9.587 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: 6 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -91.080787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.080787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.080787 (E_RNA) where: Base-Base interactions energy: -33.511 where: short stacking energy: -32.258 Base-Backbone interact. energy: -0.080 local terms energy: -57.489061 where: bonds (distance) C4'-P energy: -11.268 bonds (distance) P-C4' energy: -12.098 flat angles C4'-P-C4' energy: -13.750 flat angles P-C4'-P energy: -9.838 tors. eta vs tors. theta energy: -10.535 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: 9, replica: 1 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -82.292100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.292100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.292100 (E_RNA) where: Base-Base interactions energy: -31.976 where: short stacking energy: -31.911 Base-Backbone interact. energy: -0.365 local terms energy: -49.951144 where: bonds (distance) C4'-P energy: -15.193 bonds (distance) P-C4' energy: -11.090 flat angles C4'-P-C4' energy: -6.566 flat angles P-C4'-P energy: -12.007 tors. eta vs tors. theta energy: -5.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -75.476652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.476652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.476652 (E_RNA) where: Base-Base interactions energy: -28.796 where: short stacking energy: -25.841 Base-Backbone interact. energy: -0.279 local terms energy: -46.400903 where: bonds (distance) C4'-P energy: -12.074 bonds (distance) P-C4' energy: -10.475 flat angles C4'-P-C4' energy: -12.128 flat angles P-C4'-P energy: -5.851 tors. eta vs tors. theta energy: -5.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -217.853484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.853484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.853484 (E_RNA) where: Base-Base interactions energy: -142.548 where: short stacking energy: -68.573 Base-Backbone interact. energy: -0.000 local terms energy: -75.305251 where: bonds (distance) C4'-P energy: -16.554 bonds (distance) P-C4' energy: -13.057 flat angles C4'-P-C4' energy: -15.353 flat angles P-C4'-P energy: -8.914 tors. eta vs tors. theta energy: -21.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -224.697859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.697859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.697859 (E_RNA) where: Base-Base interactions energy: -148.268 where: short stacking energy: -66.277 Base-Backbone interact. energy: -0.120 local terms energy: -76.309887 where: bonds (distance) C4'-P energy: -16.613 bonds (distance) P-C4' energy: -15.484 flat angles C4'-P-C4' energy: -14.813 flat angles P-C4'-P energy: -8.852 tors. eta vs tors. theta energy: -20.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -206.864966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.864966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.864966 (E_RNA) where: Base-Base interactions energy: -144.155 where: short stacking energy: -58.081 Base-Backbone interact. energy: -1.051 local terms energy: -61.659417 where: bonds (distance) C4'-P energy: -13.306 bonds (distance) P-C4' energy: -8.526 flat angles C4'-P-C4' energy: -14.987 flat angles P-C4'-P energy: -8.684 tors. eta vs tors. theta energy: -16.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -202.851975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.851975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.851975 (E_RNA) where: Base-Base interactions energy: -129.179 where: short stacking energy: -56.766 Base-Backbone interact. energy: -0.102 local terms energy: -73.571309 where: bonds (distance) C4'-P energy: -16.501 bonds (distance) P-C4' energy: -14.610 flat angles C4'-P-C4' energy: -16.315 flat angles P-C4'-P energy: -11.100 tors. eta vs tors. theta energy: -15.046 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: 8 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -193.931674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.931674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.931674 (E_RNA) where: Base-Base interactions energy: -136.283 where: short stacking energy: -49.246 Base-Backbone interact. energy: 1.162 local terms energy: -58.810761 where: bonds (distance) C4'-P energy: -13.247 bonds (distance) P-C4' energy: -10.983 flat angles C4'-P-C4' energy: -13.942 flat angles P-C4'-P energy: -9.476 tors. eta vs tors. theta energy: -11.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -177.197475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.197475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.197475 (E_RNA) where: Base-Base interactions energy: -120.527 where: short stacking energy: -57.549 Base-Backbone interact. energy: -0.087 local terms energy: -56.584034 where: bonds (distance) C4'-P energy: -8.312 bonds (distance) P-C4' energy: -15.535 flat angles C4'-P-C4' energy: -12.416 flat angles P-C4'-P energy: -8.863 tors. eta vs tors. theta energy: -11.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -145.275060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.275060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.275060 (E_RNA) where: Base-Base interactions energy: -92.584 where: short stacking energy: -34.896 Base-Backbone interact. energy: -0.189 local terms energy: -52.502321 where: bonds (distance) C4'-P energy: -14.866 bonds (distance) P-C4' energy: -12.115 flat angles C4'-P-C4' energy: -13.492 flat angles P-C4'-P energy: -3.958 tors. eta vs tors. theta energy: -8.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -88.415221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.415221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.415221 (E_RNA) where: Base-Base interactions energy: -31.108 where: short stacking energy: -26.437 Base-Backbone interact. energy: -0.178 local terms energy: -57.129319 where: bonds (distance) C4'-P energy: -14.428 bonds (distance) P-C4' energy: -16.908 flat angles C4'-P-C4' energy: -9.410 flat angles P-C4'-P energy: -10.826 tors. eta vs tors. theta energy: -5.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -83.469967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.469967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.469967 (E_RNA) where: Base-Base interactions energy: -36.522 where: short stacking energy: -32.238 Base-Backbone interact. energy: -0.066 local terms energy: -46.881081 where: bonds (distance) C4'-P energy: -11.633 bonds (distance) P-C4' energy: -13.667 flat angles C4'-P-C4' energy: -10.328 flat angles P-C4'-P energy: -6.474 tors. eta vs tors. theta energy: -4.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -77.555543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.555543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.555543 (E_RNA) where: Base-Base interactions energy: -33.536 where: short stacking energy: -21.669 Base-Backbone interact. energy: -0.195 local terms energy: -43.824426 where: bonds (distance) C4'-P energy: -13.943 bonds (distance) P-C4' energy: -14.967 flat angles C4'-P-C4' energy: -7.247 flat angles P-C4'-P energy: -6.262 tors. eta vs tors. theta energy: -1.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -209.085056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.085056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.085056 (E_RNA) where: Base-Base interactions energy: -142.439 where: short stacking energy: -70.777 Base-Backbone interact. energy: -0.001 local terms energy: -66.645065 where: bonds (distance) C4'-P energy: -14.609 bonds (distance) P-C4' energy: -13.517 flat angles C4'-P-C4' energy: -13.281 flat angles P-C4'-P energy: -10.116 tors. eta vs tors. theta energy: -15.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -219.438472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.438472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.438472 (E_RNA) where: Base-Base interactions energy: -154.898 where: short stacking energy: -63.787 Base-Backbone interact. energy: -0.020 local terms energy: -64.520759 where: bonds (distance) C4'-P energy: -13.657 bonds (distance) P-C4' energy: -14.219 flat angles C4'-P-C4' energy: -12.674 flat angles P-C4'-P energy: -8.688 tors. eta vs tors. theta energy: -15.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -190.349874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.349874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.349874 (E_RNA) where: Base-Base interactions energy: -116.409 where: short stacking energy: -50.712 Base-Backbone interact. energy: -0.072 local terms energy: -73.868882 where: bonds (distance) C4'-P energy: -15.337 bonds (distance) P-C4' energy: -16.435 flat angles C4'-P-C4' energy: -13.207 flat angles P-C4'-P energy: -10.532 tors. eta vs tors. theta energy: -18.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -199.518610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.518610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.518610 (E_RNA) where: Base-Base interactions energy: -137.698 where: short stacking energy: -55.433 Base-Backbone interact. energy: -0.162 local terms energy: -61.658612 where: bonds (distance) C4'-P energy: -8.358 bonds (distance) P-C4' energy: -13.308 flat angles C4'-P-C4' energy: -16.218 flat angles P-C4'-P energy: -9.909 tors. eta vs tors. theta energy: -13.866 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: 4 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -198.142585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.142585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.142585 (E_RNA) where: Base-Base interactions energy: -132.023 where: short stacking energy: -60.713 Base-Backbone interact. energy: -0.092 local terms energy: -66.027693 where: bonds (distance) C4'-P energy: -12.681 bonds (distance) P-C4' energy: -13.542 flat angles C4'-P-C4' energy: -13.679 flat angles P-C4'-P energy: -12.632 tors. eta vs tors. theta energy: -13.493 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: 2 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -173.023116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.023116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.023116 (E_RNA) where: Base-Base interactions energy: -107.690 where: short stacking energy: -60.362 Base-Backbone interact. energy: -0.335 local terms energy: -64.997591 where: bonds (distance) C4'-P energy: -14.832 bonds (distance) P-C4' energy: -11.370 flat angles C4'-P-C4' energy: -11.927 flat angles P-C4'-P energy: -12.226 tors. eta vs tors. theta energy: -14.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -141.417348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.417348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.417348 (E_RNA) where: Base-Base interactions energy: -85.108 where: short stacking energy: -52.731 Base-Backbone interact. energy: -0.064 local terms energy: -56.245728 where: bonds (distance) C4'-P energy: -11.620 bonds (distance) P-C4' energy: -11.955 flat angles C4'-P-C4' energy: -10.931 flat angles P-C4'-P energy: -9.607 tors. eta vs tors. theta energy: -12.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -99.162759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.162759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.162759 (E_RNA) where: Base-Base interactions energy: -53.400 where: short stacking energy: -24.192 Base-Backbone interact. energy: -0.099 local terms energy: -45.662965 where: bonds (distance) C4'-P energy: -13.742 bonds (distance) P-C4' energy: -13.152 flat angles C4'-P-C4' energy: -12.764 flat angles P-C4'-P energy: -8.727 tors. eta vs tors. theta energy: 2.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -78.489282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.489282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.489282 (E_RNA) where: Base-Base interactions energy: -35.242 where: short stacking energy: -24.599 Base-Backbone interact. energy: -0.001 local terms energy: -43.246798 where: bonds (distance) C4'-P energy: -10.457 bonds (distance) P-C4' energy: -9.757 flat angles C4'-P-C4' energy: -14.941 flat angles P-C4'-P energy: -9.662 tors. eta vs tors. theta energy: 1.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -76.966744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.966744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.966744 (E_RNA) where: Base-Base interactions energy: -40.387 where: short stacking energy: -15.841 Base-Backbone interact. energy: 1.692 local terms energy: -38.271766 where: bonds (distance) C4'-P energy: -12.195 bonds (distance) P-C4' energy: -10.657 flat angles C4'-P-C4' energy: -10.721 flat angles P-C4'-P energy: -5.068 tors. eta vs tors. theta energy: 0.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -221.392811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.392811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.392811 (E_RNA) where: Base-Base interactions energy: -153.687 where: short stacking energy: -66.882 Base-Backbone interact. energy: -0.367 local terms energy: -67.338519 where: bonds (distance) C4'-P energy: -9.968 bonds (distance) P-C4' energy: -16.259 flat angles C4'-P-C4' energy: -14.395 flat angles P-C4'-P energy: -8.838 tors. eta vs tors. theta energy: -17.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -211.091274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.091274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.091274 (E_RNA) where: Base-Base interactions energy: -142.264 where: short stacking energy: -62.490 Base-Backbone interact. energy: -0.011 local terms energy: -68.815953 where: bonds (distance) C4'-P energy: -11.085 bonds (distance) P-C4' energy: -17.091 flat angles C4'-P-C4' energy: -14.159 flat angles P-C4'-P energy: -9.672 tors. eta vs tors. theta energy: -16.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -198.316924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.316924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.316924 (E_RNA) where: Base-Base interactions energy: -135.389 where: short stacking energy: -47.406 Base-Backbone interact. energy: -0.161 local terms energy: -62.766426 where: bonds (distance) C4'-P energy: -13.403 bonds (distance) P-C4' energy: -14.792 flat angles C4'-P-C4' energy: -15.413 flat angles P-C4'-P energy: -11.395 tors. eta vs tors. theta energy: -7.762 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: 9 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -200.753677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.753677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.753677 (E_RNA) where: Base-Base interactions energy: -131.929 where: short stacking energy: -60.124 Base-Backbone interact. energy: -0.006 local terms energy: -68.819316 where: bonds (distance) C4'-P energy: -11.992 bonds (distance) P-C4' energy: -15.940 flat angles C4'-P-C4' energy: -11.600 flat angles P-C4'-P energy: -11.328 tors. eta vs tors. theta energy: -17.959 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: 230 Temperature: 1.100000 Total energy: -180.560211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.560211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.560211 (E_RNA) where: Base-Base interactions energy: -125.291 where: short stacking energy: -54.316 Base-Backbone interact. energy: -0.159 local terms energy: -55.109913 where: bonds (distance) C4'-P energy: -13.087 bonds (distance) P-C4' energy: -13.388 flat angles C4'-P-C4' energy: -8.707 flat angles P-C4'-P energy: -5.035 tors. eta vs tors. theta energy: -14.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -166.402962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.402962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.402962 (E_RNA) where: Base-Base interactions energy: -112.186 where: short stacking energy: -48.117 Base-Backbone interact. energy: -0.188 local terms energy: -54.029583 where: bonds (distance) C4'-P energy: -12.928 bonds (distance) P-C4' energy: -11.681 flat angles C4'-P-C4' energy: -13.950 flat angles P-C4'-P energy: -6.815 tors. eta vs tors. theta energy: -8.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -98.138891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.138891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.138891 (E_RNA) where: Base-Base interactions energy: -39.210 where: short stacking energy: -30.368 Base-Backbone interact. energy: -0.189 local terms energy: -58.739958 where: bonds (distance) C4'-P energy: -15.019 bonds (distance) P-C4' energy: -14.571 flat angles C4'-P-C4' energy: -12.195 flat angles P-C4'-P energy: -8.494 tors. eta vs tors. theta energy: -8.461 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: 8, replica: 5 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -130.180529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.180529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.180529 (E_RNA) where: Base-Base interactions energy: -75.082 where: short stacking energy: -43.631 Base-Backbone interact. energy: -0.040 local terms energy: -55.058016 where: bonds (distance) C4'-P energy: -13.938 bonds (distance) P-C4' energy: -13.782 flat angles C4'-P-C4' energy: -12.572 flat angles P-C4'-P energy: -9.282 tors. eta vs tors. theta energy: -5.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -108.543518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.543518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.543518 (E_RNA) where: Base-Base interactions energy: -53.298 where: short stacking energy: -32.892 Base-Backbone interact. energy: -0.243 local terms energy: -55.002217 where: bonds (distance) C4'-P energy: -14.108 bonds (distance) P-C4' energy: -16.332 flat angles C4'-P-C4' energy: -10.809 flat angles P-C4'-P energy: -10.055 tors. eta vs tors. theta energy: -3.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -83.388303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.388303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.388303 (E_RNA) where: Base-Base interactions energy: -37.948 where: short stacking energy: -26.277 Base-Backbone interact. energy: -0.150 local terms energy: -45.290284 where: bonds (distance) C4'-P energy: -10.744 bonds (distance) P-C4' energy: -16.199 flat angles C4'-P-C4' energy: -6.571 flat angles P-C4'-P energy: -11.469 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: 10 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -221.698624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.698624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.698624 (E_RNA) where: Base-Base interactions energy: -155.881 where: short stacking energy: -69.672 Base-Backbone interact. energy: -0.692 local terms energy: -65.125389 where: bonds (distance) C4'-P energy: -14.526 bonds (distance) P-C4' energy: -16.567 flat angles C4'-P-C4' energy: -11.511 flat angles P-C4'-P energy: -7.237 tors. eta vs tors. theta energy: -15.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -210.008578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.008578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.008578 (E_RNA) where: Base-Base interactions energy: -144.501 where: short stacking energy: -69.092 Base-Backbone interact. energy: -0.551 local terms energy: -64.956630 where: bonds (distance) C4'-P energy: -14.415 bonds (distance) P-C4' energy: -12.510 flat angles C4'-P-C4' energy: -11.514 flat angles P-C4'-P energy: -9.789 tors. eta vs tors. theta energy: -16.729 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: 231 Temperature: 1.000000 Total energy: -196.697544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.697544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.697544 (E_RNA) where: Base-Base interactions energy: -128.583 where: short stacking energy: -56.782 Base-Backbone interact. energy: -0.237 local terms energy: -67.877483 where: bonds (distance) C4'-P energy: -13.428 bonds (distance) P-C4' energy: -17.051 flat angles C4'-P-C4' energy: -13.643 flat angles P-C4'-P energy: -8.066 tors. eta vs tors. theta energy: -15.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -192.933662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.933662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.933662 (E_RNA) where: Base-Base interactions energy: -122.109 where: short stacking energy: -42.092 Base-Backbone interact. energy: -0.201 local terms energy: -70.624496 where: bonds (distance) C4'-P energy: -13.897 bonds (distance) P-C4' energy: -16.638 flat angles C4'-P-C4' energy: -15.667 flat angles P-C4'-P energy: -11.442 tors. eta vs tors. theta energy: -12.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -199.969183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.969183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.969183 (E_RNA) where: Base-Base interactions energy: -128.956 where: short stacking energy: -48.373 Base-Backbone interact. energy: -0.182 local terms energy: -70.831269 where: bonds (distance) C4'-P energy: -15.690 bonds (distance) P-C4' energy: -13.708 flat angles C4'-P-C4' energy: -16.530 flat angles P-C4'-P energy: -9.735 tors. eta vs tors. theta energy: -15.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -188.174365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.174365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.174365 (E_RNA) where: Base-Base interactions energy: -129.867 where: short stacking energy: -55.754 Base-Backbone interact. energy: -0.012 local terms energy: -58.295802 where: bonds (distance) C4'-P energy: -11.115 bonds (distance) P-C4' energy: -12.913 flat angles C4'-P-C4' energy: -10.759 flat angles P-C4'-P energy: -7.687 tors. eta vs tors. theta energy: -15.822 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: 3 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -113.217321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.217321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.217321 (E_RNA) where: Base-Base interactions energy: -60.308 where: short stacking energy: -34.546 Base-Backbone interact. energy: -1.558 local terms energy: -51.351708 where: bonds (distance) C4'-P energy: -14.190 bonds (distance) P-C4' energy: -14.586 flat angles C4'-P-C4' energy: -10.598 flat angles P-C4'-P energy: -10.348 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: 8, replica: 5 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -144.043187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.043187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.043187 (E_RNA) where: Base-Base interactions energy: -82.364 where: short stacking energy: -50.946 Base-Backbone interact. energy: -0.084 local terms energy: -61.595006 where: bonds (distance) C4'-P energy: -13.685 bonds (distance) P-C4' energy: -13.833 flat angles C4'-P-C4' energy: -15.296 flat angles P-C4'-P energy: -8.042 tors. eta vs tors. theta energy: -10.739 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: 1 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -74.935990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.935990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.935990 (E_RNA) where: Base-Base interactions energy: -23.841 where: short stacking energy: -23.841 Base-Backbone interact. energy: -0.238 local terms energy: -50.856215 where: bonds (distance) C4'-P energy: -10.755 bonds (distance) P-C4' energy: -13.540 flat angles C4'-P-C4' energy: -15.194 flat angles P-C4'-P energy: -12.268 tors. eta vs tors. theta energy: 0.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -81.763284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.763284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.763284 (E_RNA) where: Base-Base interactions energy: -26.675 where: short stacking energy: -20.465 Base-Backbone interact. energy: -0.956 local terms energy: -54.132713 where: bonds (distance) C4'-P energy: -14.062 bonds (distance) P-C4' energy: -13.995 flat angles C4'-P-C4' energy: -14.534 flat angles P-C4'-P energy: -9.364 tors. eta vs tors. theta energy: -2.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -216.571066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.571066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.571066 (E_RNA) where: Base-Base interactions energy: -144.623 where: short stacking energy: -65.237 Base-Backbone interact. energy: -0.003 local terms energy: -71.945102 where: bonds (distance) C4'-P energy: -15.879 bonds (distance) P-C4' energy: -16.879 flat angles C4'-P-C4' energy: -12.898 flat angles P-C4'-P energy: -8.139 tors. eta vs tors. theta energy: -18.149 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: 10 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -222.402940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.402940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.402940 (E_RNA) where: Base-Base interactions energy: -150.317 where: short stacking energy: -63.583 Base-Backbone interact. energy: -0.003 local terms energy: -72.082252 where: bonds (distance) C4'-P energy: -16.604 bonds (distance) P-C4' energy: -17.516 flat angles C4'-P-C4' energy: -14.160 flat angles P-C4'-P energy: -9.179 tors. eta vs tors. theta energy: -14.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -195.256881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.256881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.256881 (E_RNA) where: Base-Base interactions energy: -131.185 where: short stacking energy: -51.828 Base-Backbone interact. energy: -0.091 local terms energy: -63.980399 where: bonds (distance) C4'-P energy: -15.417 bonds (distance) P-C4' energy: -12.708 flat angles C4'-P-C4' energy: -11.045 flat angles P-C4'-P energy: -9.119 tors. eta vs tors. theta energy: -15.692 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: 232 Temperature: 1.050000 Total energy: -205.352459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.352459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.352459 (E_RNA) where: Base-Base interactions energy: -141.573 where: short stacking energy: -62.888 Base-Backbone interact. energy: -0.006 local terms energy: -63.773739 where: bonds (distance) C4'-P energy: -11.119 bonds (distance) P-C4' energy: -12.630 flat angles C4'-P-C4' energy: -15.317 flat angles P-C4'-P energy: -7.458 tors. eta vs tors. theta energy: -17.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -187.594318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.594318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.594318 (E_RNA) where: Base-Base interactions energy: -128.897 where: short stacking energy: -69.660 Base-Backbone interact. energy: -0.113 local terms energy: -58.583442 where: bonds (distance) C4'-P energy: -11.426 bonds (distance) P-C4' energy: -12.759 flat angles C4'-P-C4' energy: -10.891 flat angles P-C4'-P energy: -7.707 tors. eta vs tors. theta energy: -15.799 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: 4 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -174.261370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.261370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.261370 (E_RNA) where: Base-Base interactions energy: -113.529 where: short stacking energy: -48.477 Base-Backbone interact. energy: -0.193 local terms energy: -60.539959 where: bonds (distance) C4'-P energy: -15.105 bonds (distance) P-C4' energy: -15.800 flat angles C4'-P-C4' energy: -11.613 flat angles P-C4'-P energy: -9.838 tors. eta vs tors. theta energy: -8.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -121.857919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.857919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.857919 (E_RNA) where: Base-Base interactions energy: -67.502 where: short stacking energy: -31.628 Base-Backbone interact. energy: -0.123 local terms energy: -54.232721 where: bonds (distance) C4'-P energy: -12.175 bonds (distance) P-C4' energy: -15.885 flat angles C4'-P-C4' energy: -13.293 flat angles P-C4'-P energy: -3.442 tors. eta vs tors. theta energy: -9.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -94.841779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.841779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.841779 (E_RNA) where: Base-Base interactions energy: -44.226 where: short stacking energy: -34.722 Base-Backbone interact. energy: -0.212 local terms energy: -50.404039 where: bonds (distance) C4'-P energy: -9.969 bonds (distance) P-C4' energy: -16.691 flat angles C4'-P-C4' energy: -11.394 flat angles P-C4'-P energy: -6.785 tors. eta vs tors. theta energy: -5.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -90.149609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.149609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.149609 (E_RNA) where: Base-Base interactions energy: -45.415 where: short stacking energy: -33.238 Base-Backbone interact. energy: -0.095 local terms energy: -44.640577 where: bonds (distance) C4'-P energy: -8.006 bonds (distance) P-C4' energy: -10.101 flat angles C4'-P-C4' energy: -13.178 flat angles P-C4'-P energy: -8.166 tors. eta vs tors. theta energy: -5.190 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: 1 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -78.191784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.191784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.191784 (E_RNA) where: Base-Base interactions energy: -27.975 where: short stacking energy: -26.576 Base-Backbone interact. energy: -0.113 local terms energy: -50.104495 where: bonds (distance) C4'-P energy: -17.031 bonds (distance) P-C4' energy: -11.224 flat angles C4'-P-C4' energy: -11.376 flat angles P-C4'-P energy: -5.254 tors. eta vs tors. theta energy: -5.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -214.620490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.620490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.620490 (E_RNA) where: Base-Base interactions energy: -145.312 where: short stacking energy: -59.935 Base-Backbone interact. energy: -0.377 local terms energy: -68.931118 where: bonds (distance) C4'-P energy: -13.339 bonds (distance) P-C4' energy: -10.614 flat angles C4'-P-C4' energy: -15.204 flat angles P-C4'-P energy: -8.344 tors. eta vs tors. theta energy: -21.431 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: 10 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -220.848497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.848497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.848497 (E_RNA) where: Base-Base interactions energy: -151.427 where: short stacking energy: -70.884 Base-Backbone interact. energy: -0.089 local terms energy: -69.332958 where: bonds (distance) C4'-P energy: -15.975 bonds (distance) P-C4' energy: -14.298 flat angles C4'-P-C4' energy: -14.806 flat angles P-C4'-P energy: -9.618 tors. eta vs tors. theta energy: -14.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -196.974721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.974721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.974721 (E_RNA) where: Base-Base interactions energy: -130.067 where: short stacking energy: -54.711 Base-Backbone interact. energy: -0.033 local terms energy: -66.875368 where: bonds (distance) C4'-P energy: -13.116 bonds (distance) P-C4' energy: -16.049 flat angles C4'-P-C4' energy: -13.033 flat angles P-C4'-P energy: -13.688 tors. eta vs tors. theta energy: -10.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -202.093152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.093152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.093152 (E_RNA) where: Base-Base interactions energy: -134.434 where: short stacking energy: -60.755 Base-Backbone interact. energy: -0.369 local terms energy: -67.290147 where: bonds (distance) C4'-P energy: -13.103 bonds (distance) P-C4' energy: -14.970 flat angles C4'-P-C4' energy: -16.057 flat angles P-C4'-P energy: -5.586 tors. eta vs tors. theta energy: -17.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -183.967939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.967939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.967939 (E_RNA) where: Base-Base interactions energy: -121.847 where: short stacking energy: -50.269 Base-Backbone interact. energy: -0.002 local terms energy: -62.118019 where: bonds (distance) C4'-P energy: -15.995 bonds (distance) P-C4' energy: -13.099 flat angles C4'-P-C4' energy: -12.344 flat angles P-C4'-P energy: -7.394 tors. eta vs tors. theta energy: -13.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -181.943183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.943183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.943183 (E_RNA) where: Base-Base interactions energy: -116.168 where: short stacking energy: -61.304 Base-Backbone interact. energy: -0.023 local terms energy: -65.752979 where: bonds (distance) C4'-P energy: -11.621 bonds (distance) P-C4' energy: -12.599 flat angles C4'-P-C4' energy: -16.439 flat angles P-C4'-P energy: -7.083 tors. eta vs tors. theta energy: -18.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -123.794044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.794044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.794044 (E_RNA) where: Base-Base interactions energy: -64.459 where: short stacking energy: -45.194 Base-Backbone interact. energy: -0.003 local terms energy: -59.331610 where: bonds (distance) C4'-P energy: -13.836 bonds (distance) P-C4' energy: -14.847 flat angles C4'-P-C4' energy: -11.105 flat angles P-C4'-P energy: -5.153 tors. eta vs tors. theta energy: -14.390 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: 6 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -94.542410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.542410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.542410 (E_RNA) where: Base-Base interactions energy: -43.853 where: short stacking energy: -43.853 Base-Backbone interact. energy: -0.018 local terms energy: -50.671136 where: bonds (distance) C4'-P energy: -10.677 bonds (distance) P-C4' energy: -12.673 flat angles C4'-P-C4' energy: -9.503 flat angles P-C4'-P energy: -8.806 tors. eta vs tors. theta energy: -9.013 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: 233 Temperature: 1.300000 Total energy: -85.454549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.454549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.454549 (E_RNA) where: Base-Base interactions energy: -40.498 where: short stacking energy: -30.270 Base-Backbone interact. energy: -0.176 local terms energy: -44.780609 where: bonds (distance) C4'-P energy: -8.587 bonds (distance) P-C4' energy: -13.032 flat angles C4'-P-C4' energy: -12.909 flat angles P-C4'-P energy: -6.975 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: 10, replica: 1 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -106.183301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.183301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.183301 (E_RNA) where: Base-Base interactions energy: -61.573 where: short stacking energy: -32.002 Base-Backbone interact. energy: -0.371 local terms energy: -44.238631 where: bonds (distance) C4'-P energy: -14.494 bonds (distance) P-C4' energy: -8.726 flat angles C4'-P-C4' energy: -9.345 flat angles P-C4'-P energy: -6.362 tors. eta vs tors. theta energy: -5.312 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: 1, replica: 10 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -219.756039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.756039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.756039 (E_RNA) where: Base-Base interactions energy: -151.717 where: short stacking energy: -62.558 Base-Backbone interact. energy: -0.001 local terms energy: -68.038490 where: bonds (distance) C4'-P energy: -15.308 bonds (distance) P-C4' energy: -13.708 flat angles C4'-P-C4' energy: -14.308 flat angles P-C4'-P energy: -10.373 tors. eta vs tors. theta energy: -14.341 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: 8 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -217.403656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.403656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.403656 (E_RNA) where: Base-Base interactions energy: -145.711 where: short stacking energy: -70.368 Base-Backbone interact. energy: -0.002 local terms energy: -71.690721 where: bonds (distance) C4'-P energy: -12.662 bonds (distance) P-C4' energy: -14.198 flat angles C4'-P-C4' energy: -13.783 flat angles P-C4'-P energy: -10.561 tors. eta vs tors. theta energy: -20.486 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: 7 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -199.443572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.443572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.443572 (E_RNA) where: Base-Base interactions energy: -137.177 where: short stacking energy: -60.128 Base-Backbone interact. energy: 0.014 local terms energy: -62.280495 where: bonds (distance) C4'-P energy: -11.976 bonds (distance) P-C4' energy: -15.979 flat angles C4'-P-C4' energy: -16.395 flat angles P-C4'-P energy: -6.148 tors. eta vs tors. theta energy: -11.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -199.283439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.283439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.283439 (E_RNA) where: Base-Base interactions energy: -131.197 where: short stacking energy: -56.572 Base-Backbone interact. energy: -0.469 local terms energy: -67.617768 where: bonds (distance) C4'-P energy: -11.993 bonds (distance) P-C4' energy: -15.156 flat angles C4'-P-C4' energy: -15.731 flat angles P-C4'-P energy: -9.346 tors. eta vs tors. theta energy: -15.392 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: 4 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -194.211854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.211854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.211854 (E_RNA) where: Base-Base interactions energy: -129.794 where: short stacking energy: -63.327 Base-Backbone interact. energy: -0.243 local terms energy: -64.174667 where: bonds (distance) C4'-P energy: -9.331 bonds (distance) P-C4' energy: -11.098 flat angles C4'-P-C4' energy: -15.102 flat angles P-C4'-P energy: -11.127 tors. eta vs tors. theta energy: -17.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -165.635545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.635545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.635545 (E_RNA) where: Base-Base interactions energy: -102.622 where: short stacking energy: -42.450 Base-Backbone interact. energy: -0.070 local terms energy: -62.943926 where: bonds (distance) C4'-P energy: -12.551 bonds (distance) P-C4' energy: -15.301 flat angles C4'-P-C4' energy: -13.168 flat angles P-C4'-P energy: -11.229 tors. eta vs tors. theta energy: -10.695 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: 5 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -100.262703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.262703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.262703 (E_RNA) where: Base-Base interactions energy: -42.655 where: short stacking energy: -42.407 Base-Backbone interact. energy: -0.131 local terms energy: -57.476639 where: bonds (distance) C4'-P energy: -11.165 bonds (distance) P-C4' energy: -15.698 flat angles C4'-P-C4' energy: -15.518 flat angles P-C4'-P energy: -10.390 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: 8, replica: 6 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -99.360411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.360411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.360411 (E_RNA) where: Base-Base interactions energy: -42.310 where: short stacking energy: -38.864 Base-Backbone interact. energy: -0.133 local terms energy: -56.917585 where: bonds (distance) C4'-P energy: -9.181 bonds (distance) P-C4' energy: -13.652 flat angles C4'-P-C4' energy: -14.155 flat angles P-C4'-P energy: -12.937 tors. eta vs tors. theta energy: -6.993 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: 234 Temperature: 1.300000 Total energy: -113.648490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.648490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.648490 (E_RNA) where: Base-Base interactions energy: -72.181 where: short stacking energy: -39.765 Base-Backbone interact. energy: -0.128 local terms energy: -41.339323 where: bonds (distance) C4'-P energy: -10.755 bonds (distance) P-C4' energy: -15.192 flat angles C4'-P-C4' energy: -9.533 flat angles P-C4'-P energy: -5.416 tors. eta vs tors. theta energy: -0.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -112.619484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.619484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.619484 (E_RNA) where: Base-Base interactions energy: -68.333 where: short stacking energy: -32.696 Base-Backbone interact. energy: 1.580 local terms energy: -45.866759 where: bonds (distance) C4'-P energy: -13.035 bonds (distance) P-C4' energy: -10.871 flat angles C4'-P-C4' energy: -13.540 flat angles P-C4'-P energy: -6.093 tors. eta vs tors. theta energy: -2.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -222.537275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.537275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.537275 (E_RNA) where: Base-Base interactions energy: -153.536 where: short stacking energy: -64.745 Base-Backbone interact. energy: -0.001 local terms energy: -69.000706 where: bonds (distance) C4'-P energy: -14.141 bonds (distance) P-C4' energy: -14.902 flat angles C4'-P-C4' energy: -15.969 flat angles P-C4'-P energy: -8.300 tors. eta vs tors. theta energy: -15.689 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: 7 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -213.977181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.977181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.977181 (E_RNA) where: Base-Base interactions energy: -151.807 where: short stacking energy: -54.778 Base-Backbone interact. energy: -0.117 local terms energy: -62.053074 where: bonds (distance) C4'-P energy: -10.295 bonds (distance) P-C4' energy: -15.998 flat angles C4'-P-C4' energy: -12.431 flat angles P-C4'-P energy: -11.134 tors. eta vs tors. theta energy: -12.195 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: 8 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -215.145552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.145552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.145552 (E_RNA) where: Base-Base interactions energy: -149.395 where: short stacking energy: -66.590 Base-Backbone interact. energy: -0.040 local terms energy: -65.710808 where: bonds (distance) C4'-P energy: -12.536 bonds (distance) P-C4' energy: -16.970 flat angles C4'-P-C4' energy: -12.744 flat angles P-C4'-P energy: -5.274 tors. eta vs tors. theta energy: -18.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -193.534031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.534031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.534031 (E_RNA) where: Base-Base interactions energy: -128.797 where: short stacking energy: -47.212 Base-Backbone interact. energy: -0.061 local terms energy: -64.676814 where: bonds (distance) C4'-P energy: -13.860 bonds (distance) P-C4' energy: -16.640 flat angles C4'-P-C4' energy: -16.562 flat angles P-C4'-P energy: -5.979 tors. eta vs tors. theta energy: -11.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -192.224981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.224981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.224981 (E_RNA) where: Base-Base interactions energy: -135.493 where: short stacking energy: -54.106 Base-Backbone interact. energy: -0.176 local terms energy: -56.555284 where: bonds (distance) C4'-P energy: -12.659 bonds (distance) P-C4' energy: -11.178 flat angles C4'-P-C4' energy: -10.136 flat angles P-C4'-P energy: -7.350 tors. eta vs tors. theta energy: -15.232 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: 9 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -176.514641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.514641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.514641 (E_RNA) where: Base-Base interactions energy: -113.783 where: short stacking energy: -47.609 Base-Backbone interact. energy: -0.045 local terms energy: -62.686311 where: bonds (distance) C4'-P energy: -12.024 bonds (distance) P-C4' energy: -14.799 flat angles C4'-P-C4' energy: -14.253 flat angles P-C4'-P energy: -9.611 tors. eta vs tors. theta energy: -11.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -94.295286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.295286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.295286 (E_RNA) where: Base-Base interactions energy: -48.995 where: short stacking energy: -28.804 Base-Backbone interact. energy: -1.019 local terms energy: -44.282002 where: bonds (distance) C4'-P energy: -11.189 bonds (distance) P-C4' energy: -11.094 flat angles C4'-P-C4' energy: -12.739 flat angles P-C4'-P energy: -8.629 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: 8, replica: 1 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -118.112816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.112816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.112816 (E_RNA) where: Base-Base interactions energy: -72.973 where: short stacking energy: -29.147 Base-Backbone interact. energy: -0.139 local terms energy: -45.001247 where: bonds (distance) C4'-P energy: -11.177 bonds (distance) P-C4' energy: -11.864 flat angles C4'-P-C4' energy: -12.231 flat angles P-C4'-P energy: -5.857 tors. eta vs tors. theta energy: -3.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -77.932651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.932651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.932651 (E_RNA) where: Base-Base interactions energy: -29.541 where: short stacking energy: -29.541 Base-Backbone interact. energy: -0.025 local terms energy: -48.366298 where: bonds (distance) C4'-P energy: -9.599 bonds (distance) P-C4' energy: -13.718 flat angles C4'-P-C4' energy: -11.426 flat angles P-C4'-P energy: -7.828 tors. eta vs tors. theta energy: -5.796 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: 10, replica: 3 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -115.212094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.212094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.212094 (E_RNA) where: Base-Base interactions energy: -69.815 where: short stacking energy: -38.199 Base-Backbone interact. energy: -0.817 local terms energy: -44.580716 where: bonds (distance) C4'-P energy: -8.896 bonds (distance) P-C4' energy: -13.290 flat angles C4'-P-C4' energy: -7.479 flat angles P-C4'-P energy: -9.766 tors. eta vs tors. theta energy: -5.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -213.680980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.680980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.680980 (E_RNA) where: Base-Base interactions energy: -143.475 where: short stacking energy: -50.966 Base-Backbone interact. energy: -0.217 local terms energy: -69.989020 where: bonds (distance) C4'-P energy: -12.882 bonds (distance) P-C4' energy: -17.781 flat angles C4'-P-C4' energy: -16.698 flat angles P-C4'-P energy: -9.929 tors. eta vs tors. theta energy: -12.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -215.634638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.634638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.634638 (E_RNA) where: Base-Base interactions energy: -145.145 where: short stacking energy: -66.201 Base-Backbone interact. energy: -0.680 local terms energy: -69.809779 where: bonds (distance) C4'-P energy: -14.013 bonds (distance) P-C4' energy: -15.821 flat angles C4'-P-C4' energy: -13.101 flat angles P-C4'-P energy: -8.992 tors. eta vs tors. theta energy: -17.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -198.775336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.775336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.775336 (E_RNA) where: Base-Base interactions energy: -134.552 where: short stacking energy: -60.111 Base-Backbone interact. energy: -0.080 local terms energy: -64.143405 where: bonds (distance) C4'-P energy: -14.055 bonds (distance) P-C4' energy: -17.595 flat angles C4'-P-C4' energy: -13.641 flat angles P-C4'-P energy: -3.999 tors. eta vs tors. theta energy: -14.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -198.060528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.060528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.060528 (E_RNA) where: Base-Base interactions energy: -132.365 where: short stacking energy: -47.870 Base-Backbone interact. energy: 0.079 local terms energy: -65.774188 where: bonds (distance) C4'-P energy: -14.787 bonds (distance) P-C4' energy: -15.529 flat angles C4'-P-C4' energy: -13.772 flat angles P-C4'-P energy: -7.212 tors. eta vs tors. theta energy: -14.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -178.643819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.643819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.643819 (E_RNA) where: Base-Base interactions energy: -122.593 where: short stacking energy: -44.055 Base-Backbone interact. energy: -0.127 local terms energy: -55.923531 where: bonds (distance) C4'-P energy: -13.087 bonds (distance) P-C4' energy: -13.666 flat angles C4'-P-C4' energy: -13.367 flat angles P-C4'-P energy: -4.231 tors. eta vs tors. theta energy: -11.572 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: 4 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -167.884981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.884981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.884981 (E_RNA) where: Base-Base interactions energy: -114.619 where: short stacking energy: -44.353 Base-Backbone interact. energy: -0.058 local terms energy: -53.207737 where: bonds (distance) C4'-P energy: -14.455 bonds (distance) P-C4' energy: -12.361 flat angles C4'-P-C4' energy: -10.129 flat angles P-C4'-P energy: -7.803 tors. eta vs tors. theta energy: -8.460 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: 1 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -131.105373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.105373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.105373 (E_RNA) where: Base-Base interactions energy: -78.465 where: short stacking energy: -35.918 Base-Backbone interact. energy: -0.055 local terms energy: -52.585660 where: bonds (distance) C4'-P energy: -16.567 bonds (distance) P-C4' energy: -11.200 flat angles C4'-P-C4' energy: -9.731 flat angles P-C4'-P energy: -8.775 tors. eta vs tors. theta energy: -6.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -94.108181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.108181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.108181 (E_RNA) where: Base-Base interactions energy: -44.676 where: short stacking energy: -27.170 Base-Backbone interact. energy: -0.035 local terms energy: -49.397409 where: bonds (distance) C4'-P energy: -13.825 bonds (distance) P-C4' energy: -12.369 flat angles C4'-P-C4' energy: -10.963 flat angles P-C4'-P energy: -11.092 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: 9, replica: 3 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -85.459264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.459264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.459264 (E_RNA) where: Base-Base interactions energy: -38.854 where: short stacking energy: -38.854 Base-Backbone interact. energy: -0.063 local terms energy: -46.542773 where: bonds (distance) C4'-P energy: -14.092 bonds (distance) P-C4' energy: -8.329 flat angles C4'-P-C4' energy: -8.764 flat angles P-C4'-P energy: -8.209 tors. eta vs tors. theta energy: -7.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -74.100138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.100138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.100138 (E_RNA) where: Base-Base interactions energy: -28.377 where: short stacking energy: -26.923 Base-Backbone interact. energy: 1.056 local terms energy: -46.779072 where: bonds (distance) C4'-P energy: -11.690 bonds (distance) P-C4' energy: -16.146 flat angles C4'-P-C4' energy: -10.913 flat angles P-C4'-P energy: -8.728 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: 1, replica: 7 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -210.762185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.762185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.762185 (E_RNA) where: Base-Base interactions energy: -146.475 where: short stacking energy: -55.201 Base-Backbone interact. energy: -0.161 local terms energy: -64.125954 where: bonds (distance) C4'-P energy: -14.733 bonds (distance) P-C4' energy: -14.033 flat angles C4'-P-C4' energy: -12.044 flat angles P-C4'-P energy: -7.791 tors. eta vs tors. theta energy: -15.526 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: 10 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -218.957229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.957229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.957229 (E_RNA) where: Base-Base interactions energy: -158.701 where: short stacking energy: -65.227 Base-Backbone interact. energy: -0.735 local terms energy: -59.520871 where: bonds (distance) C4'-P energy: -14.965 bonds (distance) P-C4' energy: -9.373 flat angles C4'-P-C4' energy: -14.778 flat angles P-C4'-P energy: -8.277 tors. eta vs tors. theta energy: -12.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -189.488988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.488988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.488988 (E_RNA) where: Base-Base interactions energy: -127.015 where: short stacking energy: -57.364 Base-Backbone interact. energy: -0.019 local terms energy: -62.455307 where: bonds (distance) C4'-P energy: -13.719 bonds (distance) P-C4' energy: -12.696 flat angles C4'-P-C4' energy: -13.156 flat angles P-C4'-P energy: -9.366 tors. eta vs tors. theta energy: -13.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -194.644809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.644809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.644809 (E_RNA) where: Base-Base interactions energy: -126.844 where: short stacking energy: -56.050 Base-Backbone interact. energy: -0.140 local terms energy: -67.661180 where: bonds (distance) C4'-P energy: -14.626 bonds (distance) P-C4' energy: -13.653 flat angles C4'-P-C4' energy: -15.406 flat angles P-C4'-P energy: -8.081 tors. eta vs tors. theta energy: -15.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -204.883027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.883027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.883027 (E_RNA) where: Base-Base interactions energy: -132.896 where: short stacking energy: -63.070 Base-Backbone interact. energy: -0.007 local terms energy: -71.979505 where: bonds (distance) C4'-P energy: -12.792 bonds (distance) P-C4' energy: -16.224 flat angles C4'-P-C4' energy: -15.571 flat angles P-C4'-P energy: -8.768 tors. eta vs tors. theta energy: -18.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -183.241832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.241832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.241832 (E_RNA) where: Base-Base interactions energy: -114.541 where: short stacking energy: -54.313 Base-Backbone interact. energy: -0.176 local terms energy: -68.525040 where: bonds (distance) C4'-P energy: -13.011 bonds (distance) P-C4' energy: -16.915 flat angles C4'-P-C4' energy: -12.218 flat angles P-C4'-P energy: -8.978 tors. eta vs tors. theta energy: -17.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -132.517704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.517704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.517704 (E_RNA) where: Base-Base interactions energy: -73.538 where: short stacking energy: -29.468 Base-Backbone interact. energy: -0.498 local terms energy: -58.481708 where: bonds (distance) C4'-P energy: -15.093 bonds (distance) P-C4' energy: -13.906 flat angles C4'-P-C4' energy: -12.681 flat angles P-C4'-P energy: -6.663 tors. eta vs tors. theta energy: -10.139 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: 3 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -84.472167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.472167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.472167 (E_RNA) where: Base-Base interactions energy: -34.852 where: short stacking energy: -33.555 Base-Backbone interact. energy: -0.048 local terms energy: -49.572193 where: bonds (distance) C4'-P energy: -12.340 bonds (distance) P-C4' energy: -15.511 flat angles C4'-P-C4' energy: -11.419 flat angles P-C4'-P energy: -5.884 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: 9, replica: 5 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -87.923717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.923717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.923717 (E_RNA) where: Base-Base interactions energy: -39.645 where: short stacking energy: -38.683 Base-Backbone interact. energy: -0.057 local terms energy: -48.221103 where: bonds (distance) C4'-P energy: -11.764 bonds (distance) P-C4' energy: -16.470 flat angles C4'-P-C4' energy: -11.322 flat angles P-C4'-P energy: -4.384 tors. eta vs tors. theta energy: -4.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -71.411918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.411918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.411918 (E_RNA) where: Base-Base interactions energy: -22.779 where: short stacking energy: -23.213 Base-Backbone interact. energy: -0.485 local terms energy: -48.147198 where: bonds (distance) C4'-P energy: -14.161 bonds (distance) P-C4' energy: -11.875 flat angles C4'-P-C4' energy: -8.919 flat angles P-C4'-P energy: -10.087 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: 1, replica: 10 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -223.046738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.046738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.046738 (E_RNA) where: Base-Base interactions energy: -157.804 where: short stacking energy: -70.875 Base-Backbone interact. energy: -0.769 local terms energy: -64.473657 where: bonds (distance) C4'-P energy: -11.111 bonds (distance) P-C4' energy: -16.248 flat angles C4'-P-C4' energy: -12.730 flat angles P-C4'-P energy: -7.566 tors. eta vs tors. theta energy: -16.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -203.545475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.545475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.545475 (E_RNA) where: Base-Base interactions energy: -134.365 where: short stacking energy: -53.035 Base-Backbone interact. energy: -0.108 local terms energy: -69.071894 where: bonds (distance) C4'-P energy: -10.399 bonds (distance) P-C4' energy: -16.450 flat angles C4'-P-C4' energy: -16.860 flat angles P-C4'-P energy: -8.776 tors. eta vs tors. theta energy: -16.587 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: 3, replica: 9 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -189.262115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.262115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.262115 (E_RNA) where: Base-Base interactions energy: -120.334 where: short stacking energy: -57.628 Base-Backbone interact. energy: -0.005 local terms energy: -68.923241 where: bonds (distance) C4'-P energy: -13.918 bonds (distance) P-C4' energy: -13.742 flat angles C4'-P-C4' energy: -16.053 flat angles P-C4'-P energy: -13.213 tors. eta vs tors. theta energy: -11.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -190.883062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.883062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.883062 (E_RNA) where: Base-Base interactions energy: -134.315 where: short stacking energy: -61.269 Base-Backbone interact. energy: -0.413 local terms energy: -56.154464 where: bonds (distance) C4'-P energy: -5.764 bonds (distance) P-C4' energy: -12.423 flat angles C4'-P-C4' energy: -11.659 flat angles P-C4'-P energy: -9.435 tors. eta vs tors. theta energy: -16.874 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: 8 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -190.358868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.358868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.358868 (E_RNA) where: Base-Base interactions energy: -128.343 where: short stacking energy: -53.789 Base-Backbone interact. energy: -0.002 local terms energy: -62.013356 where: bonds (distance) C4'-P energy: -15.164 bonds (distance) P-C4' energy: -10.764 flat angles C4'-P-C4' energy: -10.950 flat angles P-C4'-P energy: -10.662 tors. eta vs tors. theta energy: -14.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -179.158508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.158508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.158508 (E_RNA) where: Base-Base interactions energy: -122.597 where: short stacking energy: -46.813 Base-Backbone interact. energy: 1.365 local terms energy: -57.925676 where: bonds (distance) C4'-P energy: -12.418 bonds (distance) P-C4' energy: -9.313 flat angles C4'-P-C4' energy: -12.079 flat angles P-C4'-P energy: -10.818 tors. eta vs tors. theta energy: -13.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -140.252104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.252104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.252104 (E_RNA) where: Base-Base interactions energy: -89.368 where: short stacking energy: -46.629 Base-Backbone interact. energy: -0.464 local terms energy: -50.420069 where: bonds (distance) C4'-P energy: -14.166 bonds (distance) P-C4' energy: -13.980 flat angles C4'-P-C4' energy: -5.488 flat angles P-C4'-P energy: -6.712 tors. eta vs tors. theta energy: -10.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -95.858865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.858865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.858865 (E_RNA) where: Base-Base interactions energy: -53.936 where: short stacking energy: -26.935 Base-Backbone interact. energy: 0.687 local terms energy: -42.609625 where: bonds (distance) C4'-P energy: -7.114 bonds (distance) P-C4' energy: -16.211 flat angles C4'-P-C4' energy: -9.190 flat angles P-C4'-P energy: -6.326 tors. eta vs tors. theta energy: -3.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -81.209585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.209585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.209585 (E_RNA) where: Base-Base interactions energy: -38.559 where: short stacking energy: -32.616 Base-Backbone interact. energy: 0.318 local terms energy: -42.968680 where: bonds (distance) C4'-P energy: -11.336 bonds (distance) P-C4' energy: -11.415 flat angles C4'-P-C4' energy: -10.838 flat angles P-C4'-P energy: -10.778 tors. eta vs tors. theta energy: 1.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -70.160109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.160109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.160109 (E_RNA) where: Base-Base interactions energy: -31.397 where: short stacking energy: -23.317 Base-Backbone interact. energy: -0.215 local terms energy: -38.548410 where: bonds (distance) C4'-P energy: -9.981 bonds (distance) P-C4' energy: -13.606 flat angles C4'-P-C4' energy: -6.704 flat angles P-C4'-P energy: -9.492 tors. eta vs tors. theta energy: 1.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -221.329285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.329285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.329285 (E_RNA) where: Base-Base interactions energy: -154.685 where: short stacking energy: -67.799 Base-Backbone interact. energy: 0.102 local terms energy: -66.746191 where: bonds (distance) C4'-P energy: -9.716 bonds (distance) P-C4' energy: -15.733 flat angles C4'-P-C4' energy: -12.887 flat angles P-C4'-P energy: -11.149 tors. eta vs tors. theta energy: -17.261 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: 7 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -215.716501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.716501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.716501 (E_RNA) where: Base-Base interactions energy: -144.444 where: short stacking energy: -60.777 Base-Backbone interact. energy: -1.020 local terms energy: -70.252339 where: bonds (distance) C4'-P energy: -14.388 bonds (distance) P-C4' energy: -16.277 flat angles C4'-P-C4' energy: -11.091 flat angles P-C4'-P energy: -11.622 tors. eta vs tors. theta energy: -16.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -199.028840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.028840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.028840 (E_RNA) where: Base-Base interactions energy: -133.682 where: short stacking energy: -58.306 Base-Backbone interact. energy: -0.594 local terms energy: -64.753711 where: bonds (distance) C4'-P energy: -14.875 bonds (distance) P-C4' energy: -10.417 flat angles C4'-P-C4' energy: -16.505 flat angles P-C4'-P energy: -3.508 tors. eta vs tors. theta energy: -19.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -194.261870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.261870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.261870 (E_RNA) where: Base-Base interactions energy: -128.326 where: short stacking energy: -55.718 Base-Backbone interact. energy: -0.113 local terms energy: -65.822364 where: bonds (distance) C4'-P energy: -12.648 bonds (distance) P-C4' energy: -17.029 flat angles C4'-P-C4' energy: -11.305 flat angles P-C4'-P energy: -10.110 tors. eta vs tors. theta energy: -14.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -191.025684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.025684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.025684 (E_RNA) where: Base-Base interactions energy: -130.675 where: short stacking energy: -56.783 Base-Backbone interact. energy: -0.023 local terms energy: -60.327703 where: bonds (distance) C4'-P energy: -12.059 bonds (distance) P-C4' energy: -15.600 flat angles C4'-P-C4' energy: -13.254 flat angles P-C4'-P energy: -5.517 tors. eta vs tors. theta energy: -13.897 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: 6, replica: 4 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -163.531200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.531200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.531200 (E_RNA) where: Base-Base interactions energy: -104.568 where: short stacking energy: -55.079 Base-Backbone interact. energy: -0.587 local terms energy: -58.376649 where: bonds (distance) C4'-P energy: -12.340 bonds (distance) P-C4' energy: -15.674 flat angles C4'-P-C4' energy: -8.787 flat angles P-C4'-P energy: -8.610 tors. eta vs tors. theta energy: -12.965 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: 1 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -134.226360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.226360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.226360 (E_RNA) where: Base-Base interactions energy: -81.331 where: short stacking energy: -35.313 Base-Backbone interact. energy: -0.485 local terms energy: -52.410656 where: bonds (distance) C4'-P energy: -11.271 bonds (distance) P-C4' energy: -12.366 flat angles C4'-P-C4' energy: -11.316 flat angles P-C4'-P energy: -9.041 tors. eta vs tors. theta energy: -8.416 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: 6 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -83.787831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.787831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.787831 (E_RNA) where: Base-Base interactions energy: -36.057 where: short stacking energy: -36.057 Base-Backbone interact. energy: -0.009 local terms energy: -47.722276 where: bonds (distance) C4'-P energy: -7.994 bonds (distance) P-C4' energy: -10.506 flat angles C4'-P-C4' energy: -10.696 flat angles P-C4'-P energy: -12.936 tors. eta vs tors. theta energy: -5.591 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: 239 Temperature: 1.300000 Total energy: -80.256434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.256434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.256434 (E_RNA) where: Base-Base interactions energy: -33.798 where: short stacking energy: -28.104 Base-Backbone interact. energy: -0.156 local terms energy: -46.303087 where: bonds (distance) C4'-P energy: -8.833 bonds (distance) P-C4' energy: -14.149 flat angles C4'-P-C4' energy: -10.090 flat angles P-C4'-P energy: -8.639 tors. eta vs tors. theta energy: -4.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -81.951896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.951896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.951896 (E_RNA) where: Base-Base interactions energy: -37.215 where: short stacking energy: -36.085 Base-Backbone interact. energy: 1.118 local terms energy: -45.854556 where: bonds (distance) C4'-P energy: -10.528 bonds (distance) P-C4' energy: -13.570 flat angles C4'-P-C4' energy: -10.436 flat angles P-C4'-P energy: -7.400 tors. eta vs tors. theta energy: -3.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -220.680648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.680648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.680648 (E_RNA) where: Base-Base interactions energy: -150.960 where: short stacking energy: -65.937 Base-Backbone interact. energy: -0.073 local terms energy: -69.647038 where: bonds (distance) C4'-P energy: -12.945 bonds (distance) P-C4' energy: -14.613 flat angles C4'-P-C4' energy: -13.572 flat angles P-C4'-P energy: -8.983 tors. eta vs tors. theta energy: -19.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -212.729921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.729921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.729921 (E_RNA) where: Base-Base interactions energy: -143.563 where: short stacking energy: -63.860 Base-Backbone interact. energy: -0.170 local terms energy: -68.997171 where: bonds (distance) C4'-P energy: -14.305 bonds (distance) P-C4' energy: -16.206 flat angles C4'-P-C4' energy: -11.739 flat angles P-C4'-P energy: -7.564 tors. eta vs tors. theta energy: -19.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -197.849012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.849012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.849012 (E_RNA) where: Base-Base interactions energy: -138.554 where: short stacking energy: -61.122 Base-Backbone interact. energy: -0.298 local terms energy: -58.997226 where: bonds (distance) C4'-P energy: -8.706 bonds (distance) P-C4' energy: -9.791 flat angles C4'-P-C4' energy: -13.557 flat angles P-C4'-P energy: -10.263 tors. eta vs tors. theta energy: -16.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -191.348712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.348712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.348712 (E_RNA) where: Base-Base interactions energy: -127.637 where: short stacking energy: -57.398 Base-Backbone interact. energy: 0.171 local terms energy: -63.882599 where: bonds (distance) C4'-P energy: -14.183 bonds (distance) P-C4' energy: -17.548 flat angles C4'-P-C4' energy: -6.909 flat angles P-C4'-P energy: -8.281 tors. eta vs tors. theta energy: -16.962 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: 8 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -179.556013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.556013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.556013 (E_RNA) where: Base-Base interactions energy: -120.577 where: short stacking energy: -52.935 Base-Backbone interact. energy: -0.134 local terms energy: -58.845617 where: bonds (distance) C4'-P energy: -12.849 bonds (distance) P-C4' energy: -10.966 flat angles C4'-P-C4' energy: -12.951 flat angles P-C4'-P energy: -10.381 tors. eta vs tors. theta energy: -11.699 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: 4 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -173.053191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.053191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.053191 (E_RNA) where: Base-Base interactions energy: -105.890 where: short stacking energy: -52.236 Base-Backbone interact. energy: -1.253 local terms energy: -65.909977 where: bonds (distance) C4'-P energy: -10.362 bonds (distance) P-C4' energy: -15.430 flat angles C4'-P-C4' energy: -14.486 flat angles P-C4'-P energy: -11.952 tors. eta vs tors. theta energy: -13.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -118.510629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.510629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.510629 (E_RNA) where: Base-Base interactions energy: -57.862 where: short stacking energy: -41.688 Base-Backbone interact. energy: 0.974 local terms energy: -61.622664 where: bonds (distance) C4'-P energy: -14.663 bonds (distance) P-C4' energy: -18.028 flat angles C4'-P-C4' energy: -8.667 flat angles P-C4'-P energy: -12.563 tors. eta vs tors. theta energy: -7.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -89.953413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.953413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.953413 (E_RNA) where: Base-Base interactions energy: -39.555 where: short stacking energy: -39.555 Base-Backbone interact. energy: 0.913 local terms energy: -51.311445 where: bonds (distance) C4'-P energy: -16.212 bonds (distance) P-C4' energy: -12.695 flat angles C4'-P-C4' energy: -10.803 flat angles P-C4'-P energy: -5.390 tors. eta vs tors. theta energy: -6.211 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: 5 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -89.224371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.224371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.224371 (E_RNA) where: Base-Base interactions energy: -32.718 where: short stacking energy: -32.718 Base-Backbone interact. energy: 1.152 local terms energy: -57.657835 where: bonds (distance) C4'-P energy: -12.540 bonds (distance) P-C4' energy: -15.049 flat angles C4'-P-C4' energy: -12.445 flat angles P-C4'-P energy: -8.840 tors. eta vs tors. theta energy: -8.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -77.830615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.830615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.830615 (E_RNA) where: Base-Base interactions energy: -36.903 where: short stacking energy: -25.371 Base-Backbone interact. energy: -0.117 local terms energy: -40.810321 where: bonds (distance) C4'-P energy: -8.904 bonds (distance) P-C4' energy: -13.899 flat angles C4'-P-C4' energy: -9.296 flat angles P-C4'-P energy: -5.543 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: 1, replica: 10 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -229.797120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -229.797120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -229.797120 (E_RNA) where: Base-Base interactions energy: -154.133 where: short stacking energy: -73.384 Base-Backbone interact. energy: -0.587 local terms energy: -75.076945 where: bonds (distance) C4'-P energy: -15.549 bonds (distance) P-C4' energy: -17.064 flat angles C4'-P-C4' energy: -15.452 flat angles P-C4'-P energy: -12.109 tors. eta vs tors. theta energy: -14.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -208.034428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.034428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.034428 (E_RNA) where: Base-Base interactions energy: -147.218 where: short stacking energy: -64.330 Base-Backbone interact. energy: -0.001 local terms energy: -60.815412 where: bonds (distance) C4'-P energy: -11.076 bonds (distance) P-C4' energy: -13.147 flat angles C4'-P-C4' energy: -15.024 flat angles P-C4'-P energy: -8.984 tors. eta vs tors. theta energy: -12.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -209.513934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.513934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.513934 (E_RNA) where: Base-Base interactions energy: -137.499 where: short stacking energy: -59.558 Base-Backbone interact. energy: -0.676 local terms energy: -71.338741 where: bonds (distance) C4'-P energy: -10.029 bonds (distance) P-C4' energy: -16.283 flat angles C4'-P-C4' energy: -13.881 flat angles P-C4'-P energy: -13.062 tors. eta vs tors. theta energy: -18.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -185.020917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.020917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.020917 (E_RNA) where: Base-Base interactions energy: -127.168 where: short stacking energy: -54.711 Base-Backbone interact. energy: -0.417 local terms energy: -57.435956 where: bonds (distance) C4'-P energy: -13.818 bonds (distance) P-C4' energy: -11.392 flat angles C4'-P-C4' energy: -15.306 flat angles P-C4'-P energy: -6.480 tors. eta vs tors. theta energy: -10.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -196.419487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.419487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.419487 (E_RNA) where: Base-Base interactions energy: -133.553 where: short stacking energy: -60.377 Base-Backbone interact. energy: -0.013 local terms energy: -62.853183 where: bonds (distance) C4'-P energy: -16.137 bonds (distance) P-C4' energy: -11.006 flat angles C4'-P-C4' energy: -12.576 flat angles P-C4'-P energy: -8.114 tors. eta vs tors. theta energy: -15.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -178.962282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.962282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.962282 (E_RNA) where: Base-Base interactions energy: -116.876 where: short stacking energy: -55.216 Base-Backbone interact. energy: -0.147 local terms energy: -61.939199 where: bonds (distance) C4'-P energy: -13.056 bonds (distance) P-C4' energy: -15.913 flat angles C4'-P-C4' energy: -10.470 flat angles P-C4'-P energy: -7.548 tors. eta vs tors. theta energy: -14.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -98.561898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.561898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.561898 (E_RNA) where: Base-Base interactions energy: -40.571 where: short stacking energy: -25.151 Base-Backbone interact. energy: -0.156 local terms energy: -57.835350 where: bonds (distance) C4'-P energy: -12.651 bonds (distance) P-C4' energy: -16.869 flat angles C4'-P-C4' energy: -13.744 flat angles P-C4'-P energy: -11.591 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: 8, replica: 5 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -121.932814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.932814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.932814 (E_RNA) where: Base-Base interactions energy: -77.615 where: short stacking energy: -42.390 Base-Backbone interact. energy: -0.121 local terms energy: -44.196102 where: bonds (distance) C4'-P energy: -6.856 bonds (distance) P-C4' energy: -13.965 flat angles C4'-P-C4' energy: -7.637 flat angles P-C4'-P energy: -7.606 tors. eta vs tors. theta energy: -8.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -88.607865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.607865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.607865 (E_RNA) where: Base-Base interactions energy: -40.942 where: short stacking energy: -29.347 Base-Backbone interact. energy: 1.478 local terms energy: -49.143182 where: bonds (distance) C4'-P energy: -13.898 bonds (distance) P-C4' energy: -10.642 flat angles C4'-P-C4' energy: -9.261 flat angles P-C4'-P energy: -11.445 tors. eta vs tors. theta energy: -3.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -80.176453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.176453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.176453 (E_RNA) where: Base-Base interactions energy: -34.777 where: short stacking energy: -34.437 Base-Backbone interact. energy: -0.099 local terms energy: -45.301125 where: bonds (distance) C4'-P energy: -9.129 bonds (distance) P-C4' energy: -13.191 flat angles C4'-P-C4' energy: -12.506 flat angles P-C4'-P energy: -7.874 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: 1, replica: 2 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -203.663958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.663958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.663958 (E_RNA) where: Base-Base interactions energy: -136.669 where: short stacking energy: -59.968 Base-Backbone interact. energy: -0.369 local terms energy: -66.625653 where: bonds (distance) C4'-P energy: -13.006 bonds (distance) P-C4' energy: -16.569 flat angles C4'-P-C4' energy: -15.713 flat angles P-C4'-P energy: -6.176 tors. eta vs tors. theta energy: -15.162 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: 10 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -220.992316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.992316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.992316 (E_RNA) where: Base-Base interactions energy: -149.835 where: short stacking energy: -64.690 Base-Backbone interact. energy: -0.002 local terms energy: -71.154790 where: bonds (distance) C4'-P energy: -11.040 bonds (distance) P-C4' energy: -15.171 flat angles C4'-P-C4' energy: -18.011 flat angles P-C4'-P energy: -9.979 tors. eta vs tors. theta energy: -16.953 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: 242 Temperature: 1.000000 Total energy: -200.043923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.043923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.043923 (E_RNA) where: Base-Base interactions energy: -135.476 where: short stacking energy: -60.524 Base-Backbone interact. energy: -0.009 local terms energy: -64.558918 where: bonds (distance) C4'-P energy: -8.378 bonds (distance) P-C4' energy: -16.728 flat angles C4'-P-C4' energy: -16.262 flat angles P-C4'-P energy: -6.816 tors. eta vs tors. theta energy: -16.374 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: 7 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -204.430517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.430517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.430517 (E_RNA) where: Base-Base interactions energy: -137.783 where: short stacking energy: -63.257 Base-Backbone interact. energy: -0.245 local terms energy: -66.402943 where: bonds (distance) C4'-P energy: -13.586 bonds (distance) P-C4' energy: -13.622 flat angles C4'-P-C4' energy: -13.337 flat angles P-C4'-P energy: -8.952 tors. eta vs tors. theta energy: -16.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -191.964214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.964214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.964214 (E_RNA) where: Base-Base interactions energy: -121.916 where: short stacking energy: -60.619 Base-Backbone interact. energy: 0.022 local terms energy: -70.069937 where: bonds (distance) C4'-P energy: -13.888 bonds (distance) P-C4' energy: -13.334 flat angles C4'-P-C4' energy: -15.968 flat angles P-C4'-P energy: -9.992 tors. eta vs tors. theta energy: -16.888 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: 4 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -177.902946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.902946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.902946 (E_RNA) where: Base-Base interactions energy: -117.443 where: short stacking energy: -51.784 Base-Backbone interact. energy: -0.173 local terms energy: -60.287323 where: bonds (distance) C4'-P energy: -12.156 bonds (distance) P-C4' energy: -10.212 flat angles C4'-P-C4' energy: -12.233 flat angles P-C4'-P energy: -9.569 tors. eta vs tors. theta energy: -16.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -108.327298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.327298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.327298 (E_RNA) where: Base-Base interactions energy: -60.605 where: short stacking energy: -31.978 Base-Backbone interact. energy: -0.123 local terms energy: -47.599448 where: bonds (distance) C4'-P energy: -12.378 bonds (distance) P-C4' energy: -12.726 flat angles C4'-P-C4' energy: -12.903 flat angles P-C4'-P energy: -8.070 tors. eta vs tors. theta energy: -1.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -92.967276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.967276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.967276 (E_RNA) where: Base-Base interactions energy: -45.355 where: short stacking energy: -25.537 Base-Backbone interact. energy: 1.148 local terms energy: -48.760704 where: bonds (distance) C4'-P energy: -10.656 bonds (distance) P-C4' energy: -12.539 flat angles C4'-P-C4' energy: -13.456 flat angles P-C4'-P energy: -7.238 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: 9, replica: 3 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -79.022972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.022972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.022972 (E_RNA) where: Base-Base interactions energy: -35.371 where: short stacking energy: -19.737 Base-Backbone interact. energy: -0.116 local terms energy: -43.536403 where: bonds (distance) C4'-P energy: -13.496 bonds (distance) P-C4' energy: -15.072 flat angles C4'-P-C4' energy: -9.201 flat angles P-C4'-P energy: -5.246 tors. eta vs tors. theta energy: -0.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -112.870415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.870415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.870415 (E_RNA) where: Base-Base interactions energy: -59.077 where: short stacking energy: -36.045 Base-Backbone interact. energy: 0.054 local terms energy: -53.848284 where: bonds (distance) C4'-P energy: -13.909 bonds (distance) P-C4' energy: -11.778 flat angles C4'-P-C4' energy: -12.273 flat angles P-C4'-P energy: -8.192 tors. eta vs tors. theta energy: -7.697 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: 243 Temperature: 0.900000 Total energy: -209.362737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.362737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.362737 (E_RNA) where: Base-Base interactions energy: -146.640 where: short stacking energy: -68.022 Base-Backbone interact. energy: -0.171 local terms energy: -62.551557 where: bonds (distance) C4'-P energy: -13.631 bonds (distance) P-C4' energy: -13.712 flat angles C4'-P-C4' energy: -13.842 flat angles P-C4'-P energy: -1.770 tors. eta vs tors. theta energy: -19.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -199.853997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.853997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.853997 (E_RNA) where: Base-Base interactions energy: -134.632 where: short stacking energy: -59.137 Base-Backbone interact. energy: -0.118 local terms energy: -65.104063 where: bonds (distance) C4'-P energy: -14.696 bonds (distance) P-C4' energy: -14.845 flat angles C4'-P-C4' energy: -12.817 flat angles P-C4'-P energy: -8.879 tors. eta vs tors. theta energy: -13.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -213.736804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.736804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.736804 (E_RNA) where: Base-Base interactions energy: -147.014 where: short stacking energy: -62.246 Base-Backbone interact. energy: -0.001 local terms energy: -66.722249 where: bonds (distance) C4'-P energy: -11.045 bonds (distance) P-C4' energy: -13.016 flat angles C4'-P-C4' energy: -15.489 flat angles P-C4'-P energy: -10.304 tors. eta vs tors. theta energy: -16.868 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: 9 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -181.003845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.003845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.003845 (E_RNA) where: Base-Base interactions energy: -113.754 where: short stacking energy: -58.747 Base-Backbone interact. energy: -0.024 local terms energy: -67.225732 where: bonds (distance) C4'-P energy: -13.926 bonds (distance) P-C4' energy: -14.843 flat angles C4'-P-C4' energy: -11.644 flat angles P-C4'-P energy: -11.013 tors. eta vs tors. theta energy: -15.799 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: 7 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -188.373185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.373185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.373185 (E_RNA) where: Base-Base interactions energy: -121.288 where: short stacking energy: -59.645 Base-Backbone interact. energy: -0.152 local terms energy: -66.932499 where: bonds (distance) C4'-P energy: -14.236 bonds (distance) P-C4' energy: -11.746 flat angles C4'-P-C4' energy: -13.447 flat angles P-C4'-P energy: -12.135 tors. eta vs tors. theta energy: -15.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -157.249717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.249717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.249717 (E_RNA) where: Base-Base interactions energy: -94.910 where: short stacking energy: -42.154 Base-Backbone interact. energy: -0.143 local terms energy: -62.196552 where: bonds (distance) C4'-P energy: -14.092 bonds (distance) P-C4' energy: -14.129 flat angles C4'-P-C4' energy: -12.944 flat angles P-C4'-P energy: -11.535 tors. eta vs tors. theta energy: -9.496 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: 243 Temperature: 1.200000 Total energy: -119.626496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.626496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.626496 (E_RNA) where: Base-Base interactions energy: -69.784 where: short stacking energy: -24.775 Base-Backbone interact. energy: -0.112 local terms energy: -49.730041 where: bonds (distance) C4'-P energy: -14.667 bonds (distance) P-C4' energy: -15.279 flat angles C4'-P-C4' energy: -9.728 flat angles P-C4'-P energy: -7.015 tors. eta vs tors. theta energy: -3.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -91.704288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.704288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.704288 (E_RNA) where: Base-Base interactions energy: -42.698 where: short stacking energy: -34.874 Base-Backbone interact. energy: -0.121 local terms energy: -48.885227 where: bonds (distance) C4'-P energy: -14.233 bonds (distance) P-C4' energy: -11.224 flat angles C4'-P-C4' energy: -10.762 flat angles P-C4'-P energy: -9.270 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: 9, replica: 1 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -83.010346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.010346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.010346 (E_RNA) where: Base-Base interactions energy: -37.274 where: short stacking energy: -33.537 Base-Backbone interact. energy: 2.545 local terms energy: -48.280826 where: bonds (distance) C4'-P energy: -10.485 bonds (distance) P-C4' energy: -15.241 flat angles C4'-P-C4' energy: -12.096 flat angles P-C4'-P energy: -9.227 tors. eta vs tors. theta energy: -1.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -98.042875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.042875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.042875 (E_RNA) where: Base-Base interactions energy: -44.178 where: short stacking energy: -24.763 Base-Backbone interact. energy: -0.203 local terms energy: -53.661366 where: bonds (distance) C4'-P energy: -15.081 bonds (distance) P-C4' energy: -15.541 flat angles C4'-P-C4' energy: -12.059 flat angles P-C4'-P energy: -11.529 tors. eta vs tors. theta energy: 0.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -220.665222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.665222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.665222 (E_RNA) where: Base-Base interactions energy: -149.671 where: short stacking energy: -67.065 Base-Backbone interact. energy: -0.240 local terms energy: -70.754755 where: bonds (distance) C4'-P energy: -13.541 bonds (distance) P-C4' energy: -14.413 flat angles C4'-P-C4' energy: -14.147 flat angles P-C4'-P energy: -7.615 tors. eta vs tors. theta energy: -21.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -201.015415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.015415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.015415 (E_RNA) where: Base-Base interactions energy: -140.963 where: short stacking energy: -54.516 Base-Backbone interact. energy: 0.600 local terms energy: -60.652146 where: bonds (distance) C4'-P energy: -13.479 bonds (distance) P-C4' energy: -14.786 flat angles C4'-P-C4' energy: -15.513 flat angles P-C4'-P energy: -7.396 tors. eta vs tors. theta energy: -9.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -212.663297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.663297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.663297 (E_RNA) where: Base-Base interactions energy: -140.167 where: short stacking energy: -54.702 Base-Backbone interact. energy: -0.004 local terms energy: -72.492191 where: bonds (distance) C4'-P energy: -14.794 bonds (distance) P-C4' energy: -11.394 flat angles C4'-P-C4' energy: -16.461 flat angles P-C4'-P energy: -13.238 tors. eta vs tors. theta energy: -16.606 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: 9 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -189.043635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.043635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.043635 (E_RNA) where: Base-Base interactions energy: -131.127 where: short stacking energy: -54.352 Base-Backbone interact. energy: -0.094 local terms energy: -57.822270 where: bonds (distance) C4'-P energy: -12.817 bonds (distance) P-C4' energy: -10.874 flat angles C4'-P-C4' energy: -11.529 flat angles P-C4'-P energy: -6.149 tors. eta vs tors. theta energy: -16.454 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: 4 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -168.080520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.080520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.080520 (E_RNA) where: Base-Base interactions energy: -107.326 where: short stacking energy: -42.139 Base-Backbone interact. energy: -0.103 local terms energy: -60.650823 where: bonds (distance) C4'-P energy: -10.310 bonds (distance) P-C4' energy: -17.299 flat angles C4'-P-C4' energy: -12.910 flat angles P-C4'-P energy: -9.935 tors. eta vs tors. theta energy: -10.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -173.178738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.178738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.178738 (E_RNA) where: Base-Base interactions energy: -115.914 where: short stacking energy: -46.667 Base-Backbone interact. energy: -0.119 local terms energy: -57.145339 where: bonds (distance) C4'-P energy: -12.254 bonds (distance) P-C4' energy: -14.513 flat angles C4'-P-C4' energy: -11.557 flat angles P-C4'-P energy: -9.377 tors. eta vs tors. theta energy: -9.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -95.917539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.917539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.917539 (E_RNA) where: Base-Base interactions energy: -43.688 where: short stacking energy: -41.639 Base-Backbone interact. energy: -1.540 local terms energy: -50.689723 where: bonds (distance) C4'-P energy: -11.054 bonds (distance) P-C4' energy: -16.336 flat angles C4'-P-C4' energy: -12.021 flat angles P-C4'-P energy: -8.280 tors. eta vs tors. theta energy: -3.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -132.785735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.785735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.785735 (E_RNA) where: Base-Base interactions energy: -80.381 where: short stacking energy: -35.079 Base-Backbone interact. energy: -0.575 local terms energy: -51.829111 where: bonds (distance) C4'-P energy: -12.633 bonds (distance) P-C4' energy: -11.571 flat angles C4'-P-C4' energy: -11.921 flat angles P-C4'-P energy: -9.256 tors. eta vs tors. theta energy: -6.448 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: 6 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -90.376243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.376243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.376243 (E_RNA) where: Base-Base interactions energy: -45.678 where: short stacking energy: -30.427 Base-Backbone interact. energy: -0.218 local terms energy: -44.479412 where: bonds (distance) C4'-P energy: -13.524 bonds (distance) P-C4' energy: -15.312 flat angles C4'-P-C4' energy: -8.607 flat angles P-C4'-P energy: -6.157 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: 1 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -75.484697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.484697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.484697 (E_RNA) where: Base-Base interactions energy: -29.749 where: short stacking energy: -29.849 Base-Backbone interact. energy: 0.040 local terms energy: -45.775070 where: bonds (distance) C4'-P energy: -9.124 bonds (distance) P-C4' energy: -13.158 flat angles C4'-P-C4' energy: -11.098 flat angles P-C4'-P energy: -8.723 tors. eta vs tors. theta energy: -3.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -216.716866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.716866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.716866 (E_RNA) where: Base-Base interactions energy: -151.031 where: short stacking energy: -70.395 Base-Backbone interact. energy: -0.009 local terms energy: -65.677118 where: bonds (distance) C4'-P energy: -9.979 bonds (distance) P-C4' energy: -15.315 flat angles C4'-P-C4' energy: -14.338 flat angles P-C4'-P energy: -4.182 tors. eta vs tors. theta energy: -21.863 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: 10 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -210.444944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.444944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.444944 (E_RNA) where: Base-Base interactions energy: -142.888 where: short stacking energy: -68.646 Base-Backbone interact. energy: -0.295 local terms energy: -67.262035 where: bonds (distance) C4'-P energy: -13.326 bonds (distance) P-C4' energy: -15.477 flat angles C4'-P-C4' energy: -11.781 flat angles P-C4'-P energy: -10.724 tors. eta vs tors. theta energy: -15.954 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: 8 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -202.185181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.185181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.185181 (E_RNA) where: Base-Base interactions energy: -139.200 where: short stacking energy: -55.397 Base-Backbone interact. energy: -0.052 local terms energy: -62.933385 where: bonds (distance) C4'-P energy: -14.125 bonds (distance) P-C4' energy: -15.592 flat angles C4'-P-C4' energy: -15.017 flat angles P-C4'-P energy: -4.588 tors. eta vs tors. theta energy: -13.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -191.886205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.886205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.886205 (E_RNA) where: Base-Base interactions energy: -127.200 where: short stacking energy: -56.686 Base-Backbone interact. energy: -0.253 local terms energy: -64.432887 where: bonds (distance) C4'-P energy: -13.885 bonds (distance) P-C4' energy: -15.504 flat angles C4'-P-C4' energy: -12.186 flat angles P-C4'-P energy: -5.774 tors. eta vs tors. theta energy: -17.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -171.815230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.815230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.815230 (E_RNA) where: Base-Base interactions energy: -111.258 where: short stacking energy: -48.590 Base-Backbone interact. energy: -0.016 local terms energy: -60.541525 where: bonds (distance) C4'-P energy: -13.649 bonds (distance) P-C4' energy: -15.669 flat angles C4'-P-C4' energy: -12.158 flat angles P-C4'-P energy: -10.558 tors. eta vs tors. theta energy: -8.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -179.581480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.581480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.581480 (E_RNA) where: Base-Base interactions energy: -121.143 where: short stacking energy: -55.287 Base-Backbone interact. energy: -0.008 local terms energy: -58.430487 where: bonds (distance) C4'-P energy: -15.450 bonds (distance) P-C4' energy: -7.743 flat angles C4'-P-C4' energy: -13.770 flat angles P-C4'-P energy: -4.698 tors. eta vs tors. theta energy: -16.770 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: 7, replica: 3 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -123.678613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.678613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.678613 (E_RNA) where: Base-Base interactions energy: -76.746 where: short stacking energy: -31.605 Base-Backbone interact. energy: -0.030 local terms energy: -46.902345 where: bonds (distance) C4'-P energy: -12.701 bonds (distance) P-C4' energy: -16.562 flat angles C4'-P-C4' energy: -12.552 flat angles P-C4'-P energy: -1.441 tors. eta vs tors. theta energy: -3.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -132.035769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.035769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.035769 (E_RNA) where: Base-Base interactions energy: -77.115 where: short stacking energy: -37.913 Base-Backbone interact. energy: -0.465 local terms energy: -54.455270 where: bonds (distance) C4'-P energy: -12.688 bonds (distance) P-C4' energy: -9.543 flat angles C4'-P-C4' energy: -16.701 flat angles P-C4'-P energy: -9.328 tors. eta vs tors. theta energy: -6.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -81.824283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.824283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.824283 (E_RNA) where: Base-Base interactions energy: -30.353 where: short stacking energy: -30.653 Base-Backbone interact. energy: -0.219 local terms energy: -51.252575 where: bonds (distance) C4'-P energy: -10.866 bonds (distance) P-C4' energy: -11.865 flat angles C4'-P-C4' energy: -11.278 flat angles P-C4'-P energy: -11.206 tors. eta vs tors. theta energy: -6.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -69.902733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.902733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.902733 (E_RNA) where: Base-Base interactions energy: -18.646 where: short stacking energy: -18.646 Base-Backbone interact. energy: -0.013 local terms energy: -51.243538 where: bonds (distance) C4'-P energy: -13.694 bonds (distance) P-C4' energy: -10.817 flat angles C4'-P-C4' energy: -10.181 flat angles P-C4'-P energy: -9.778 tors. eta vs tors. theta energy: -6.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -219.561860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.561860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.561860 (E_RNA) where: Base-Base interactions energy: -143.246 where: short stacking energy: -69.075 Base-Backbone interact. energy: -0.085 local terms energy: -76.231548 where: bonds (distance) C4'-P energy: -14.659 bonds (distance) P-C4' energy: -16.386 flat angles C4'-P-C4' energy: -17.569 flat angles P-C4'-P energy: -9.966 tors. eta vs tors. theta energy: -17.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -203.278883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.278883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.278883 (E_RNA) where: Base-Base interactions energy: -137.779 where: short stacking energy: -61.872 Base-Backbone interact. energy: -0.001 local terms energy: -65.498951 where: bonds (distance) C4'-P energy: -11.954 bonds (distance) P-C4' energy: -12.915 flat angles C4'-P-C4' energy: -13.033 flat angles P-C4'-P energy: -10.305 tors. eta vs tors. theta energy: -17.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -197.795908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.795908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.795908 (E_RNA) where: Base-Base interactions energy: -133.018 where: short stacking energy: -48.364 Base-Backbone interact. energy: -0.045 local terms energy: -64.732555 where: bonds (distance) C4'-P energy: -15.842 bonds (distance) P-C4' energy: -15.603 flat angles C4'-P-C4' energy: -11.513 flat angles P-C4'-P energy: -7.543 tors. eta vs tors. theta energy: -14.231 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: 8 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -197.604089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.604089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.604089 (E_RNA) where: Base-Base interactions energy: -132.166 where: short stacking energy: -53.049 Base-Backbone interact. energy: -0.724 local terms energy: -64.714341 where: bonds (distance) C4'-P energy: -14.700 bonds (distance) P-C4' energy: -11.161 flat angles C4'-P-C4' energy: -14.912 flat angles P-C4'-P energy: -8.400 tors. eta vs tors. theta energy: -15.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -189.267013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.267013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.267013 (E_RNA) where: Base-Base interactions energy: -129.765 where: short stacking energy: -57.007 Base-Backbone interact. energy: -0.654 local terms energy: -58.848246 where: bonds (distance) C4'-P energy: -12.673 bonds (distance) P-C4' energy: -11.360 flat angles C4'-P-C4' energy: -15.453 flat angles P-C4'-P energy: -5.084 tors. eta vs tors. theta energy: -14.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -192.381626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.381626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.381626 (E_RNA) where: Base-Base interactions energy: -128.500 where: short stacking energy: -60.108 Base-Backbone interact. energy: -0.195 local terms energy: -63.686747 where: bonds (distance) C4'-P energy: -13.143 bonds (distance) P-C4' energy: -8.996 flat angles C4'-P-C4' energy: -16.411 flat angles P-C4'-P energy: -9.919 tors. eta vs tors. theta energy: -15.217 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: 5 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -121.474285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.474285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.474285 (E_RNA) where: Base-Base interactions energy: -69.391 where: short stacking energy: -34.072 Base-Backbone interact. energy: -0.046 local terms energy: -52.037846 where: bonds (distance) C4'-P energy: -13.301 bonds (distance) P-C4' energy: -14.476 flat angles C4'-P-C4' energy: -10.971 flat angles P-C4'-P energy: -7.719 tors. eta vs tors. theta energy: -5.569 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: 8, replica: 3 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -131.161554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.161554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.161554 (E_RNA) where: Base-Base interactions energy: -75.934 where: short stacking energy: -45.097 Base-Backbone interact. energy: -0.050 local terms energy: -55.177844 where: bonds (distance) C4'-P energy: -13.826 bonds (distance) P-C4' energy: -13.514 flat angles C4'-P-C4' energy: -12.757 flat angles P-C4'-P energy: -4.842 tors. eta vs tors. theta energy: -10.239 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: 1 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -123.189433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.189433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.189433 (E_RNA) where: Base-Base interactions energy: -82.386 where: short stacking energy: -43.161 Base-Backbone interact. energy: 1.067 local terms energy: -41.870586 where: bonds (distance) C4'-P energy: -13.881 bonds (distance) P-C4' energy: -9.619 flat angles C4'-P-C4' energy: -8.398 flat angles P-C4'-P energy: -2.879 tors. eta vs tors. theta energy: -7.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -76.391703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.391703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.391703 (E_RNA) where: Base-Base interactions energy: -27.465 where: short stacking energy: -26.341 Base-Backbone interact. energy: -0.135 local terms energy: -48.792006 where: bonds (distance) C4'-P energy: -13.712 bonds (distance) P-C4' energy: -15.734 flat angles C4'-P-C4' energy: -8.959 flat angles P-C4'-P energy: -8.405 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: 1, replica: 10 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -219.290052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.290052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.290052 (E_RNA) where: Base-Base interactions energy: -140.254 where: short stacking energy: -67.499 Base-Backbone interact. energy: -0.471 local terms energy: -78.564403 where: bonds (distance) C4'-P energy: -16.062 bonds (distance) P-C4' energy: -17.299 flat angles C4'-P-C4' energy: -16.848 flat angles P-C4'-P energy: -11.245 tors. eta vs tors. theta energy: -17.112 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: 2 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -202.322799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.322799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.322799 (E_RNA) where: Base-Base interactions energy: -135.133 where: short stacking energy: -60.527 Base-Backbone interact. energy: -0.452 local terms energy: -66.738201 where: bonds (distance) C4'-P energy: -14.232 bonds (distance) P-C4' energy: -17.066 flat angles C4'-P-C4' energy: -13.856 flat angles P-C4'-P energy: -5.708 tors. eta vs tors. theta energy: -15.877 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: 247 Temperature: 1.000000 Total energy: -199.506755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.506755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.506755 (E_RNA) where: Base-Base interactions energy: -136.814 where: short stacking energy: -55.366 Base-Backbone interact. energy: -0.007 local terms energy: -62.686122 where: bonds (distance) C4'-P energy: -14.129 bonds (distance) P-C4' energy: -12.636 flat angles C4'-P-C4' energy: -12.944 flat angles P-C4'-P energy: -7.083 tors. eta vs tors. theta energy: -15.894 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: 8 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -206.967503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.967503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.967503 (E_RNA) where: Base-Base interactions energy: -143.200 where: short stacking energy: -60.041 Base-Backbone interact. energy: -0.018 local terms energy: -63.749649 where: bonds (distance) C4'-P energy: -14.792 bonds (distance) P-C4' energy: -12.200 flat angles C4'-P-C4' energy: -7.805 flat angles P-C4'-P energy: -10.368 tors. eta vs tors. theta energy: -18.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -175.820364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.820364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.820364 (E_RNA) where: Base-Base interactions energy: -112.834 where: short stacking energy: -51.484 Base-Backbone interact. energy: -0.251 local terms energy: -62.734786 where: bonds (distance) C4'-P energy: -13.032 bonds (distance) P-C4' energy: -10.264 flat angles C4'-P-C4' energy: -13.446 flat angles P-C4'-P energy: -12.102 tors. eta vs tors. theta energy: -13.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -188.733267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.733267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.733267 (E_RNA) where: Base-Base interactions energy: -130.944 where: short stacking energy: -59.944 Base-Backbone interact. energy: -0.155 local terms energy: -57.634167 where: bonds (distance) C4'-P energy: -7.719 bonds (distance) P-C4' energy: -14.690 flat angles C4'-P-C4' energy: -15.200 flat angles P-C4'-P energy: -4.795 tors. eta vs tors. theta energy: -15.231 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: 247 Temperature: 1.200000 Total energy: -101.620400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.620400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.620400 (E_RNA) where: Base-Base interactions energy: -47.228 where: short stacking energy: -23.436 Base-Backbone interact. energy: -0.129 local terms energy: -54.263129 where: bonds (distance) C4'-P energy: -11.127 bonds (distance) P-C4' energy: -15.662 flat angles C4'-P-C4' energy: -15.638 flat angles P-C4'-P energy: -10.099 tors. eta vs tors. theta energy: -1.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -147.716513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.716513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.716513 (E_RNA) where: Base-Base interactions energy: -88.023 where: short stacking energy: -44.311 Base-Backbone interact. energy: 0.116 local terms energy: -59.808884 where: bonds (distance) C4'-P energy: -12.683 bonds (distance) P-C4' energy: -13.391 flat angles C4'-P-C4' energy: -13.191 flat angles P-C4'-P energy: -6.651 tors. eta vs tors. theta energy: -13.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -110.809852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.809852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.809852 (E_RNA) where: Base-Base interactions energy: -62.515 where: short stacking energy: -26.760 Base-Backbone interact. energy: -0.374 local terms energy: -47.921080 where: bonds (distance) C4'-P energy: -11.063 bonds (distance) P-C4' energy: -15.476 flat angles C4'-P-C4' energy: -9.955 flat angles P-C4'-P energy: -8.397 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: 10, replica: 6 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -72.566627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.566627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.566627 (E_RNA) where: Base-Base interactions energy: -23.172 where: short stacking energy: -20.779 Base-Backbone interact. energy: -0.003 local terms energy: -49.391281 where: bonds (distance) C4'-P energy: -9.196 bonds (distance) P-C4' energy: -12.514 flat angles C4'-P-C4' energy: -11.731 flat angles P-C4'-P energy: -9.099 tors. eta vs tors. theta energy: -6.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -211.312509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.312509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.312509 (E_RNA) where: Base-Base interactions energy: -139.524 where: short stacking energy: -59.230 Base-Backbone interact. energy: -1.307 local terms energy: -70.481895 where: bonds (distance) C4'-P energy: -14.012 bonds (distance) P-C4' energy: -12.239 flat angles C4'-P-C4' energy: -14.881 flat angles P-C4'-P energy: -14.273 tors. eta vs tors. theta energy: -15.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -218.210262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.210262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.210262 (E_RNA) where: Base-Base interactions energy: -153.314 where: short stacking energy: -67.686 Base-Backbone interact. energy: -0.268 local terms energy: -64.628429 where: bonds (distance) C4'-P energy: -11.826 bonds (distance) P-C4' energy: -11.530 flat angles C4'-P-C4' energy: -15.290 flat angles P-C4'-P energy: -11.020 tors. eta vs tors. theta energy: -14.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -215.007628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.007628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.007628 (E_RNA) where: Base-Base interactions energy: -149.511 where: short stacking energy: -64.036 Base-Backbone interact. energy: -0.451 local terms energy: -65.044741 where: bonds (distance) C4'-P energy: -12.676 bonds (distance) P-C4' energy: -14.656 flat angles C4'-P-C4' energy: -14.261 flat angles P-C4'-P energy: -5.310 tors. eta vs tors. theta energy: -18.141 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: 4 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -208.314706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.314706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.314706 (E_RNA) where: Base-Base interactions energy: -137.046 where: short stacking energy: -68.107 Base-Backbone interact. energy: -0.001 local terms energy: -71.267247 where: bonds (distance) C4'-P energy: -10.880 bonds (distance) P-C4' energy: -13.373 flat angles C4'-P-C4' energy: -13.300 flat angles P-C4'-P energy: -13.014 tors. eta vs tors. theta energy: -20.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -170.242696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.242696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.242696 (E_RNA) where: Base-Base interactions energy: -116.530 where: short stacking energy: -48.917 Base-Backbone interact. energy: -0.156 local terms energy: -53.556439 where: bonds (distance) C4'-P energy: -6.945 bonds (distance) P-C4' energy: -13.638 flat angles C4'-P-C4' energy: -13.962 flat angles P-C4'-P energy: -10.871 tors. eta vs tors. theta energy: -8.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -171.840570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.840570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.840570 (E_RNA) where: Base-Base interactions energy: -115.089 where: short stacking energy: -53.616 Base-Backbone interact. energy: -0.471 local terms energy: -56.280419 where: bonds (distance) C4'-P energy: -10.245 bonds (distance) P-C4' energy: -10.184 flat angles C4'-P-C4' energy: -11.772 flat angles P-C4'-P energy: -12.076 tors. eta vs tors. theta energy: -12.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -150.894701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.894701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.894701 (E_RNA) where: Base-Base interactions energy: -96.031 where: short stacking energy: -36.806 Base-Backbone interact. energy: 0.186 local terms energy: -55.050364 where: bonds (distance) C4'-P energy: -10.896 bonds (distance) P-C4' energy: -16.802 flat angles C4'-P-C4' energy: -9.736 flat angles P-C4'-P energy: -10.363 tors. eta vs tors. theta energy: -7.254 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: 8, replica: 5 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -104.801836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.801836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.801836 (E_RNA) where: Base-Base interactions energy: -60.787 where: short stacking energy: -40.747 Base-Backbone interact. energy: 1.556 local terms energy: -45.570383 where: bonds (distance) C4'-P energy: -16.198 bonds (distance) P-C4' energy: -8.362 flat angles C4'-P-C4' energy: -8.742 flat angles P-C4'-P energy: -9.806 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: 9, replica: 6 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -79.070074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.070074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.070074 (E_RNA) where: Base-Base interactions energy: -32.106 where: short stacking energy: -28.563 Base-Backbone interact. energy: -0.124 local terms energy: -46.840898 where: bonds (distance) C4'-P energy: -14.045 bonds (distance) P-C4' energy: -15.447 flat angles C4'-P-C4' energy: -9.518 flat angles P-C4'-P energy: -3.790 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: 10, replica: 3 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -77.272630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.272630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.272630 (E_RNA) where: Base-Base interactions energy: -27.235 where: short stacking energy: -25.821 Base-Backbone interact. energy: -0.260 local terms energy: -49.777482 where: bonds (distance) C4'-P energy: -15.176 bonds (distance) P-C4' energy: -14.134 flat angles C4'-P-C4' energy: -11.817 flat angles P-C4'-P energy: -6.217 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: 1, replica: 2 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -219.610038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.610038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.610038 (E_RNA) where: Base-Base interactions energy: -150.086 where: short stacking energy: -67.714 Base-Backbone interact. energy: -0.167 local terms energy: -69.356719 where: bonds (distance) C4'-P energy: -16.435 bonds (distance) P-C4' energy: -15.917 flat angles C4'-P-C4' energy: -13.425 flat angles P-C4'-P energy: -5.746 tors. eta vs tors. theta energy: -17.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -219.520700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.520700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.520700 (E_RNA) where: Base-Base interactions energy: -148.687 where: short stacking energy: -67.945 Base-Backbone interact. energy: -0.905 local terms energy: -69.928265 where: bonds (distance) C4'-P energy: -9.633 bonds (distance) P-C4' energy: -14.903 flat angles C4'-P-C4' energy: -17.270 flat angles P-C4'-P energy: -9.758 tors. eta vs tors. theta energy: -18.365 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: 8 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -214.604581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.604581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.604581 (E_RNA) where: Base-Base interactions energy: -144.738 where: short stacking energy: -58.764 Base-Backbone interact. energy: -0.774 local terms energy: -69.092499 where: bonds (distance) C4'-P energy: -15.308 bonds (distance) P-C4' energy: -12.527 flat angles C4'-P-C4' energy: -14.731 flat angles P-C4'-P energy: -8.663 tors. eta vs tors. theta energy: -17.863 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: 4 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -201.273788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.273788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.273788 (E_RNA) where: Base-Base interactions energy: -139.599 where: short stacking energy: -53.109 Base-Backbone interact. energy: -0.172 local terms energy: -61.503170 where: bonds (distance) C4'-P energy: -14.708 bonds (distance) P-C4' energy: -14.269 flat angles C4'-P-C4' energy: -12.809 flat angles P-C4'-P energy: -5.033 tors. eta vs tors. theta energy: -14.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -176.147600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.147600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.147600 (E_RNA) where: Base-Base interactions energy: -111.593 where: short stacking energy: -58.994 Base-Backbone interact. energy: -0.025 local terms energy: -64.529808 where: bonds (distance) C4'-P energy: -8.704 bonds (distance) P-C4' energy: -13.714 flat angles C4'-P-C4' energy: -13.508 flat angles P-C4'-P energy: -12.804 tors. eta vs tors. theta energy: -15.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -166.467589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.467589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.467589 (E_RNA) where: Base-Base interactions energy: -109.620 where: short stacking energy: -45.808 Base-Backbone interact. energy: -0.807 local terms energy: -56.040838 where: bonds (distance) C4'-P energy: -11.165 bonds (distance) P-C4' energy: -14.625 flat angles C4'-P-C4' energy: -14.441 flat angles P-C4'-P energy: -4.918 tors. eta vs tors. theta energy: -10.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -136.973428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.973428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.973428 (E_RNA) where: Base-Base interactions energy: -79.779 where: short stacking energy: -42.209 Base-Backbone interact. energy: -0.368 local terms energy: -56.826294 where: bonds (distance) C4'-P energy: -14.520 bonds (distance) P-C4' energy: -15.582 flat angles C4'-P-C4' energy: -11.820 flat angles P-C4'-P energy: -5.255 tors. eta vs tors. theta energy: -9.649 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: 6 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -140.508821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.508821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.508821 (E_RNA) where: Base-Base interactions energy: -86.670 where: short stacking energy: -36.027 Base-Backbone interact. energy: -0.403 local terms energy: -53.435921 where: bonds (distance) C4'-P energy: -14.617 bonds (distance) P-C4' energy: -16.075 flat angles C4'-P-C4' energy: -14.004 flat angles P-C4'-P energy: -4.247 tors. eta vs tors. theta energy: -4.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -106.886544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.886544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.886544 (E_RNA) where: Base-Base interactions energy: -52.608 where: short stacking energy: -28.361 Base-Backbone interact. energy: 0.781 local terms energy: -55.059965 where: bonds (distance) C4'-P energy: -9.807 bonds (distance) P-C4' energy: -17.312 flat angles C4'-P-C4' energy: -11.832 flat angles P-C4'-P energy: -6.833 tors. eta vs tors. theta energy: -9.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -82.238184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.238184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.238184 (E_RNA) where: Base-Base interactions energy: -34.647 where: short stacking energy: -34.647 Base-Backbone interact. energy: -0.091 local terms energy: -47.499899 where: bonds (distance) C4'-P energy: -14.857 bonds (distance) P-C4' energy: -13.299 flat angles C4'-P-C4' energy: -10.857 flat angles P-C4'-P energy: -6.206 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: 1, replica: 10 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -227.641305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.641305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.641305 (E_RNA) where: Base-Base interactions energy: -154.725 where: short stacking energy: -69.030 Base-Backbone interact. energy: -0.001 local terms energy: -72.914896 where: bonds (distance) C4'-P energy: -16.754 bonds (distance) P-C4' energy: -16.840 flat angles C4'-P-C4' energy: -13.278 flat angles P-C4'-P energy: -9.431 tors. eta vs tors. theta energy: -16.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -218.121417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.121417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.121417 (E_RNA) where: Base-Base interactions energy: -146.873 where: short stacking energy: -63.908 Base-Backbone interact. energy: -0.777 local terms energy: -70.470667 where: bonds (distance) C4'-P energy: -15.482 bonds (distance) P-C4' energy: -14.860 flat angles C4'-P-C4' energy: -12.692 flat angles P-C4'-P energy: -8.649 tors. eta vs tors. theta energy: -18.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -201.363241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.363241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.363241 (E_RNA) where: Base-Base interactions energy: -134.818 where: short stacking energy: -54.055 Base-Backbone interact. energy: -0.180 local terms energy: -66.365510 where: bonds (distance) C4'-P energy: -14.875 bonds (distance) P-C4' energy: -12.323 flat angles C4'-P-C4' energy: -13.584 flat angles P-C4'-P energy: -10.780 tors. eta vs tors. theta energy: -14.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -210.354974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.354974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.354974 (E_RNA) where: Base-Base interactions energy: -138.206 where: short stacking energy: -50.978 Base-Backbone interact. energy: -0.093 local terms energy: -72.055851 where: bonds (distance) C4'-P energy: -16.365 bonds (distance) P-C4' energy: -17.295 flat angles C4'-P-C4' energy: -13.867 flat angles P-C4'-P energy: -8.957 tors. eta vs tors. theta energy: -15.572 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: 9 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -184.702141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.702141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.702141 (E_RNA) where: Base-Base interactions energy: -116.407 where: short stacking energy: -51.596 Base-Backbone interact. energy: -0.604 local terms energy: -67.691288 where: bonds (distance) C4'-P energy: -15.516 bonds (distance) P-C4' energy: -15.920 flat angles C4'-P-C4' energy: -15.820 flat angles P-C4'-P energy: -8.881 tors. eta vs tors. theta energy: -11.555 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: 7 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -179.302350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.302350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.302350 (E_RNA) where: Base-Base interactions energy: -115.360 where: short stacking energy: -52.588 Base-Backbone interact. energy: -0.331 local terms energy: -63.611877 where: bonds (distance) C4'-P energy: -14.029 bonds (distance) P-C4' energy: -13.560 flat angles C4'-P-C4' energy: -13.635 flat angles P-C4'-P energy: -6.832 tors. eta vs tors. theta energy: -15.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -153.837415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.837415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.837415 (E_RNA) where: Base-Base interactions energy: -102.667 where: short stacking energy: -37.569 Base-Backbone interact. energy: -0.352 local terms energy: -50.818874 where: bonds (distance) C4'-P energy: -13.942 bonds (distance) P-C4' energy: -7.572 flat angles C4'-P-C4' energy: -15.261 flat angles P-C4'-P energy: -8.988 tors. eta vs tors. theta energy: -5.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -131.073035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.073035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.073035 (E_RNA) where: Base-Base interactions energy: -78.999 where: short stacking energy: -42.966 Base-Backbone interact. energy: 0.215 local terms energy: -52.289697 where: bonds (distance) C4'-P energy: -8.169 bonds (distance) P-C4' energy: -16.250 flat angles C4'-P-C4' energy: -12.766 flat angles P-C4'-P energy: -5.795 tors. eta vs tors. theta energy: -9.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -79.166509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.166509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.166509 (E_RNA) where: Base-Base interactions energy: -35.321 where: short stacking energy: -29.644 Base-Backbone interact. energy: -0.124 local terms energy: -43.722348 where: bonds (distance) C4'-P energy: -14.555 bonds (distance) P-C4' energy: -11.162 flat angles C4'-P-C4' energy: -15.711 flat angles P-C4'-P energy: -2.077 tors. eta vs tors. theta energy: -0.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -84.373315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.373315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.373315 (E_RNA) where: Base-Base interactions energy: -31.196 where: short stacking energy: -29.023 Base-Backbone interact. energy: 1.288 local terms energy: -54.465140 where: bonds (distance) C4'-P energy: -13.938 bonds (distance) P-C4' energy: -14.532 flat angles C4'-P-C4' energy: -11.193 flat angles P-C4'-P energy: -9.769 tors. eta vs tors. theta energy: -5.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -222.968988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.968988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.968988 (E_RNA) where: Base-Base interactions energy: -149.742 where: short stacking energy: -68.535 Base-Backbone interact. energy: -0.097 local terms energy: -73.129299 where: bonds (distance) C4'-P energy: -12.295 bonds (distance) P-C4' energy: -16.354 flat angles C4'-P-C4' energy: -17.361 flat angles P-C4'-P energy: -8.648 tors. eta vs tors. theta energy: -18.472 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: 2, replica: 2 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -212.806290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.806290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.806290 (E_RNA) where: Base-Base interactions energy: -144.637 where: short stacking energy: -59.182 Base-Backbone interact. energy: -0.232 local terms energy: -67.937660 where: bonds (distance) C4'-P energy: -10.524 bonds (distance) P-C4' energy: -14.643 flat angles C4'-P-C4' energy: -14.402 flat angles P-C4'-P energy: -10.975 tors. eta vs tors. theta energy: -17.395 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: 4 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -199.180268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.180268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.180268 (E_RNA) where: Base-Base interactions energy: -135.701 where: short stacking energy: -54.004 Base-Backbone interact. energy: -0.200 local terms energy: -63.279481 where: bonds (distance) C4'-P energy: -12.688 bonds (distance) P-C4' energy: -13.086 flat angles C4'-P-C4' energy: -14.698 flat angles P-C4'-P energy: -9.247 tors. eta vs tors. theta energy: -13.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -205.168487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.168487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.168487 (E_RNA) where: Base-Base interactions energy: -142.437 where: short stacking energy: -54.246 Base-Backbone interact. energy: -0.099 local terms energy: -62.632815 where: bonds (distance) C4'-P energy: -12.555 bonds (distance) P-C4' energy: -14.117 flat angles C4'-P-C4' energy: -9.507 flat angles P-C4'-P energy: -9.612 tors. eta vs tors. theta energy: -16.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -182.175957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.175957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.175957 (E_RNA) where: Base-Base interactions energy: -114.912 where: short stacking energy: -56.591 Base-Backbone interact. energy: -0.474 local terms energy: -66.789912 where: bonds (distance) C4'-P energy: -11.107 bonds (distance) P-C4' energy: -12.837 flat angles C4'-P-C4' energy: -14.375 flat angles P-C4'-P energy: -11.545 tors. eta vs tors. theta energy: -16.927 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: 6 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -177.792629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.792629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.792629 (E_RNA) where: Base-Base interactions energy: -122.589 where: short stacking energy: -53.116 Base-Backbone interact. energy: -0.497 local terms energy: -54.707026 where: bonds (distance) C4'-P energy: -11.643 bonds (distance) P-C4' energy: -12.291 flat angles C4'-P-C4' energy: -11.309 flat angles P-C4'-P energy: -7.903 tors. eta vs tors. theta energy: -11.561 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: 7 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -161.714622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.714622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.714622 (E_RNA) where: Base-Base interactions energy: -102.120 where: short stacking energy: -44.126 Base-Backbone interact. energy: -0.022 local terms energy: -59.573073 where: bonds (distance) C4'-P energy: -11.421 bonds (distance) P-C4' energy: -12.825 flat angles C4'-P-C4' energy: -12.651 flat angles P-C4'-P energy: -8.469 tors. eta vs tors. theta energy: -14.207 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: 251 Temperature: 1.250000 Total energy: -81.318830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.318830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.318830 (E_RNA) where: Base-Base interactions energy: -31.215 where: short stacking energy: -31.215 Base-Backbone interact. energy: -0.105 local terms energy: -49.998605 where: bonds (distance) C4'-P energy: -16.435 bonds (distance) P-C4' energy: -9.178 flat angles C4'-P-C4' energy: -13.041 flat angles P-C4'-P energy: -4.019 tors. eta vs tors. theta energy: -7.326 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: 1 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -112.915972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.915972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.915972 (E_RNA) where: Base-Base interactions energy: -61.583 where: short stacking energy: -52.445 Base-Backbone interact. energy: 0.256 local terms energy: -51.588959 where: bonds (distance) C4'-P energy: -10.333 bonds (distance) P-C4' energy: -10.177 flat angles C4'-P-C4' energy: -15.968 flat angles P-C4'-P energy: -6.762 tors. eta vs tors. theta energy: -8.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -80.461834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.461834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.461834 (E_RNA) where: Base-Base interactions energy: -32.032 where: short stacking energy: -32.032 Base-Backbone interact. energy: 1.007 local terms energy: -49.436640 where: bonds (distance) C4'-P energy: -9.748 bonds (distance) P-C4' energy: -15.559 flat angles C4'-P-C4' energy: -12.276 flat angles P-C4'-P energy: -11.140 tors. eta vs tors. theta energy: -0.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -201.621765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.621765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.621765 (E_RNA) where: Base-Base interactions energy: -130.621 where: short stacking energy: -62.056 Base-Backbone interact. energy: -1.431 local terms energy: -69.569771 where: bonds (distance) C4'-P energy: -13.391 bonds (distance) P-C4' energy: -14.595 flat angles C4'-P-C4' energy: -14.997 flat angles P-C4'-P energy: -12.126 tors. eta vs tors. theta energy: -14.461 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: 2 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -202.721659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.721659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.721659 (E_RNA) where: Base-Base interactions energy: -127.761 where: short stacking energy: -62.184 Base-Backbone interact. energy: -0.296 local terms energy: -74.664385 where: bonds (distance) C4'-P energy: -15.868 bonds (distance) P-C4' energy: -14.092 flat angles C4'-P-C4' energy: -15.123 flat angles P-C4'-P energy: -12.211 tors. eta vs tors. theta energy: -17.371 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: 8 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -210.318391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.318391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.318391 (E_RNA) where: Base-Base interactions energy: -139.604 where: short stacking energy: -67.090 Base-Backbone interact. energy: -0.000 local terms energy: -70.714145 where: bonds (distance) C4'-P energy: -12.501 bonds (distance) P-C4' energy: -16.020 flat angles C4'-P-C4' energy: -14.303 flat angles P-C4'-P energy: -5.614 tors. eta vs tors. theta energy: -22.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -183.713511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.713511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.713511 (E_RNA) where: Base-Base interactions energy: -126.109 where: short stacking energy: -48.982 Base-Backbone interact. energy: -0.322 local terms energy: -57.282933 where: bonds (distance) C4'-P energy: -12.406 bonds (distance) P-C4' energy: -12.263 flat angles C4'-P-C4' energy: -9.146 flat angles P-C4'-P energy: -6.560 tors. eta vs tors. theta energy: -16.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -180.219892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.219892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.219892 (E_RNA) where: Base-Base interactions energy: -111.741 where: short stacking energy: -56.261 Base-Backbone interact. energy: 2.718 local terms energy: -71.196967 where: bonds (distance) C4'-P energy: -15.114 bonds (distance) P-C4' energy: -18.010 flat angles C4'-P-C4' energy: -14.917 flat angles P-C4'-P energy: -8.930 tors. eta vs tors. theta energy: -14.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -165.376647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.376647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.376647 (E_RNA) where: Base-Base interactions energy: -102.763 where: short stacking energy: -48.114 Base-Backbone interact. energy: -0.148 local terms energy: -62.465016 where: bonds (distance) C4'-P energy: -16.944 bonds (distance) P-C4' energy: -11.461 flat angles C4'-P-C4' energy: -11.273 flat angles P-C4'-P energy: -10.751 tors. eta vs tors. theta energy: -12.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -158.874336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.874336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.874336 (E_RNA) where: Base-Base interactions energy: -105.460 where: short stacking energy: -43.538 Base-Backbone interact. energy: 0.317 local terms energy: -53.731421 where: bonds (distance) C4'-P energy: -11.081 bonds (distance) P-C4' energy: -15.379 flat angles C4'-P-C4' energy: -11.769 flat angles P-C4'-P energy: -7.028 tors. eta vs tors. theta energy: -8.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -81.099724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.099724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.099724 (E_RNA) where: Base-Base interactions energy: -34.532 where: short stacking energy: -32.309 Base-Backbone interact. energy: -0.040 local terms energy: -46.528362 where: bonds (distance) C4'-P energy: -12.332 bonds (distance) P-C4' energy: -15.097 flat angles C4'-P-C4' energy: -7.281 flat angles P-C4'-P energy: -6.867 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: 9, replica: 5 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -75.457270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.457270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.457270 (E_RNA) where: Base-Base interactions energy: -27.508 where: short stacking energy: -27.332 Base-Backbone interact. energy: -0.267 local terms energy: -47.682740 where: bonds (distance) C4'-P energy: -10.006 bonds (distance) P-C4' energy: -10.735 flat angles C4'-P-C4' energy: -11.552 flat angles P-C4'-P energy: -11.258 tors. eta vs tors. theta energy: -4.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -78.940819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.940819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.940819 (E_RNA) where: Base-Base interactions energy: -26.620 where: short stacking energy: -19.896 Base-Backbone interact. energy: -0.266 local terms energy: -52.054972 where: bonds (distance) C4'-P energy: -12.647 bonds (distance) P-C4' energy: -15.290 flat angles C4'-P-C4' energy: -14.520 flat angles P-C4'-P energy: -4.689 tors. eta vs tors. theta energy: -4.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -211.710220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.710220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.710220 (E_RNA) where: Base-Base interactions energy: -141.447 where: short stacking energy: -53.716 Base-Backbone interact. energy: -0.272 local terms energy: -69.990890 where: bonds (distance) C4'-P energy: -13.760 bonds (distance) P-C4' energy: -15.529 flat angles C4'-P-C4' energy: -15.852 flat angles P-C4'-P energy: -13.319 tors. eta vs tors. theta energy: -11.531 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: 2 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -211.388450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.388450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.388450 (E_RNA) where: Base-Base interactions energy: -142.442 where: short stacking energy: -64.145 Base-Backbone interact. energy: -0.093 local terms energy: -68.853480 where: bonds (distance) C4'-P energy: -14.328 bonds (distance) P-C4' energy: -13.878 flat angles C4'-P-C4' energy: -12.947 flat angles P-C4'-P energy: -8.419 tors. eta vs tors. theta energy: -19.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -203.384155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.384155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.384155 (E_RNA) where: Base-Base interactions energy: -136.675 where: short stacking energy: -57.988 Base-Backbone interact. energy: -0.003 local terms energy: -66.706017 where: bonds (distance) C4'-P energy: -15.024 bonds (distance) P-C4' energy: -10.537 flat angles C4'-P-C4' energy: -13.345 flat angles P-C4'-P energy: -7.573 tors. eta vs tors. theta energy: -20.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -193.011236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.011236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.011236 (E_RNA) where: Base-Base interactions energy: -126.299 where: short stacking energy: -56.892 Base-Backbone interact. energy: -0.403 local terms energy: -66.309433 where: bonds (distance) C4'-P energy: -13.043 bonds (distance) P-C4' energy: -16.336 flat angles C4'-P-C4' energy: -15.763 flat angles P-C4'-P energy: -9.365 tors. eta vs tors. theta energy: -11.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -188.645049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.645049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.645049 (E_RNA) where: Base-Base interactions energy: -125.542 where: short stacking energy: -55.211 Base-Backbone interact. energy: -0.831 local terms energy: -62.272161 where: bonds (distance) C4'-P energy: -11.152 bonds (distance) P-C4' energy: -15.378 flat angles C4'-P-C4' energy: -13.953 flat angles P-C4'-P energy: -8.640 tors. eta vs tors. theta energy: -13.149 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: 7 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -186.534313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.534313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.534313 (E_RNA) where: Base-Base interactions energy: -129.133 where: short stacking energy: -59.998 Base-Backbone interact. energy: -0.112 local terms energy: -57.289538 where: bonds (distance) C4'-P energy: -11.367 bonds (distance) P-C4' energy: -13.917 flat angles C4'-P-C4' energy: -7.852 flat angles P-C4'-P energy: -10.144 tors. eta vs tors. theta energy: -14.009 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: 7, replica: 6 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -162.787706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.787706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.787706 (E_RNA) where: Base-Base interactions energy: -101.918 where: short stacking energy: -39.560 Base-Backbone interact. energy: -0.442 local terms energy: -60.428006 where: bonds (distance) C4'-P energy: -17.324 bonds (distance) P-C4' energy: -14.292 flat angles C4'-P-C4' energy: -12.041 flat angles P-C4'-P energy: -6.570 tors. eta vs tors. theta energy: -10.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -96.083948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.083948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.083948 (E_RNA) where: Base-Base interactions energy: -44.320 where: short stacking energy: -33.958 Base-Backbone interact. energy: -0.085 local terms energy: -51.678183 where: bonds (distance) C4'-P energy: -11.711 bonds (distance) P-C4' energy: -15.112 flat angles C4'-P-C4' energy: -14.368 flat angles P-C4'-P energy: -5.818 tors. eta vs tors. theta energy: -4.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -76.787835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.787835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.787835 (E_RNA) where: Base-Base interactions energy: -26.381 where: short stacking energy: -26.238 Base-Backbone interact. energy: -0.017 local terms energy: -50.389775 where: bonds (distance) C4'-P energy: -12.783 bonds (distance) P-C4' energy: -13.681 flat angles C4'-P-C4' energy: -15.409 flat angles P-C4'-P energy: -6.715 tors. eta vs tors. theta energy: -1.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -76.021264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.021264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.021264 (E_RNA) where: Base-Base interactions energy: -30.963 where: short stacking energy: -24.891 Base-Backbone interact. energy: -0.033 local terms energy: -45.025120 where: bonds (distance) C4'-P energy: -10.307 bonds (distance) P-C4' energy: -17.516 flat angles C4'-P-C4' energy: -8.466 flat angles P-C4'-P energy: -6.764 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: 1, replica: 2 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -213.939112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.939112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.939112 (E_RNA) where: Base-Base interactions energy: -139.263 where: short stacking energy: -70.038 Base-Backbone interact. energy: -0.053 local terms energy: -74.622497 where: bonds (distance) C4'-P energy: -14.573 bonds (distance) P-C4' energy: -13.900 flat angles C4'-P-C4' energy: -17.229 flat angles P-C4'-P energy: -7.599 tors. eta vs tors. theta energy: -21.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -214.785946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.785946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.785946 (E_RNA) where: Base-Base interactions energy: -142.611 where: short stacking energy: -65.371 Base-Backbone interact. energy: -0.404 local terms energy: -71.771578 where: bonds (distance) C4'-P energy: -15.210 bonds (distance) P-C4' energy: -15.428 flat angles C4'-P-C4' energy: -16.284 flat angles P-C4'-P energy: -11.977 tors. eta vs tors. theta energy: -12.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -186.706857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.706857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.706857 (E_RNA) where: Base-Base interactions energy: -120.306 where: short stacking energy: -52.259 Base-Backbone interact. energy: -0.801 local terms energy: -65.600467 where: bonds (distance) C4'-P energy: -13.132 bonds (distance) P-C4' energy: -14.728 flat angles C4'-P-C4' energy: -15.527 flat angles P-C4'-P energy: -9.960 tors. eta vs tors. theta energy: -12.253 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: 4, replica: 8 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -196.682194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.682194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.682194 (E_RNA) where: Base-Base interactions energy: -124.234 where: short stacking energy: -57.847 Base-Backbone interact. energy: -0.151 local terms energy: -72.296624 where: bonds (distance) C4'-P energy: -14.722 bonds (distance) P-C4' energy: -13.968 flat angles C4'-P-C4' energy: -16.280 flat angles P-C4'-P energy: -9.860 tors. eta vs tors. theta energy: -17.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -201.702796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.702796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.702796 (E_RNA) where: Base-Base interactions energy: -140.301 where: short stacking energy: -61.200 Base-Backbone interact. energy: -0.580 local terms energy: -60.821792 where: bonds (distance) C4'-P energy: -8.706 bonds (distance) P-C4' energy: -11.732 flat angles C4'-P-C4' energy: -12.626 flat angles P-C4'-P energy: -10.550 tors. eta vs tors. theta energy: -17.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -187.906238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.906238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.906238 (E_RNA) where: Base-Base interactions energy: -119.997 where: short stacking energy: -54.627 Base-Backbone interact. energy: -0.301 local terms energy: -67.608227 where: bonds (distance) C4'-P energy: -14.755 bonds (distance) P-C4' energy: -13.965 flat angles C4'-P-C4' energy: -14.398 flat angles P-C4'-P energy: -6.671 tors. eta vs tors. theta energy: -17.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -170.118391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.118391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.118391 (E_RNA) where: Base-Base interactions energy: -120.910 where: short stacking energy: -40.875 Base-Backbone interact. energy: -0.566 local terms energy: -48.642055 where: bonds (distance) C4'-P energy: -8.018 bonds (distance) P-C4' energy: -15.564 flat angles C4'-P-C4' energy: -9.341 flat angles P-C4'-P energy: -10.047 tors. eta vs tors. theta energy: -5.672 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: 5 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -90.496079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.496079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.496079 (E_RNA) where: Base-Base interactions energy: -37.592 where: short stacking energy: -23.304 Base-Backbone interact. energy: 0.652 local terms energy: -53.555657 where: bonds (distance) C4'-P energy: -10.743 bonds (distance) P-C4' energy: -17.313 flat angles C4'-P-C4' energy: -15.262 flat angles P-C4'-P energy: -9.737 tors. eta vs tors. theta energy: -0.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -84.129982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.129982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.129982 (E_RNA) where: Base-Base interactions energy: -34.429 where: short stacking energy: -30.113 Base-Backbone interact. energy: 0.205 local terms energy: -49.906217 where: bonds (distance) C4'-P energy: -14.859 bonds (distance) P-C4' energy: -9.945 flat angles C4'-P-C4' energy: -8.245 flat angles P-C4'-P energy: -7.931 tors. eta vs tors. theta energy: -8.926 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: 3 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -87.539986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.539986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.539986 (E_RNA) where: Base-Base interactions energy: -36.338 where: short stacking energy: -36.338 Base-Backbone interact. energy: -0.186 local terms energy: -51.015843 where: bonds (distance) C4'-P energy: -12.635 bonds (distance) P-C4' energy: -16.361 flat angles C4'-P-C4' energy: -10.109 flat angles P-C4'-P energy: -3.948 tors. eta vs tors. theta energy: -7.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -215.542410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.542410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.542410 (E_RNA) where: Base-Base interactions energy: -140.254 where: short stacking energy: -66.443 Base-Backbone interact. energy: -0.381 local terms energy: -74.907440 where: bonds (distance) C4'-P energy: -16.807 bonds (distance) P-C4' energy: -13.356 flat angles C4'-P-C4' energy: -17.511 flat angles P-C4'-P energy: -6.503 tors. eta vs tors. theta energy: -20.730 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: 10 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -203.995381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.995381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.995381 (E_RNA) where: Base-Base interactions energy: -138.014 where: short stacking energy: -61.328 Base-Backbone interact. energy: -0.090 local terms energy: -65.891111 where: bonds (distance) C4'-P energy: -12.883 bonds (distance) P-C4' energy: -15.167 flat angles C4'-P-C4' energy: -16.421 flat angles P-C4'-P energy: -8.096 tors. eta vs tors. theta energy: -13.324 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: 9 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -189.851565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.851565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.851565 (E_RNA) where: Base-Base interactions energy: -124.416 where: short stacking energy: -67.921 Base-Backbone interact. energy: 0.360 local terms energy: -65.795944 where: bonds (distance) C4'-P energy: -10.423 bonds (distance) P-C4' energy: -10.164 flat angles C4'-P-C4' energy: -16.797 flat angles P-C4'-P energy: -11.582 tors. eta vs tors. theta energy: -16.830 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: 7 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -202.334346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.334346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.334346 (E_RNA) where: Base-Base interactions energy: -139.971 where: short stacking energy: -61.558 Base-Backbone interact. energy: -0.734 local terms energy: -61.629410 where: bonds (distance) C4'-P energy: -11.505 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -15.820 flat angles P-C4'-P energy: -10.063 tors. eta vs tors. theta energy: -16.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -188.684266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.684266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.684266 (E_RNA) where: Base-Base interactions energy: -128.588 where: short stacking energy: -59.926 Base-Backbone interact. energy: -0.002 local terms energy: -60.094680 where: bonds (distance) C4'-P energy: -13.763 bonds (distance) P-C4' energy: -15.505 flat angles C4'-P-C4' energy: -10.071 flat angles P-C4'-P energy: -6.652 tors. eta vs tors. theta energy: -14.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -180.536605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.536605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.536605 (E_RNA) where: Base-Base interactions energy: -118.326 where: short stacking energy: -57.277 Base-Backbone interact. energy: -0.667 local terms energy: -61.542873 where: bonds (distance) C4'-P energy: -11.429 bonds (distance) P-C4' energy: -13.948 flat angles C4'-P-C4' energy: -15.311 flat angles P-C4'-P energy: -8.266 tors. eta vs tors. theta energy: -12.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -172.492174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.492174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.492174 (E_RNA) where: Base-Base interactions energy: -117.992 where: short stacking energy: -46.320 Base-Backbone interact. energy: -0.119 local terms energy: -54.380804 where: bonds (distance) C4'-P energy: -10.763 bonds (distance) P-C4' energy: -16.153 flat angles C4'-P-C4' energy: -11.990 flat angles P-C4'-P energy: -3.153 tors. eta vs tors. theta energy: -12.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -85.243916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.243916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.243916 (E_RNA) where: Base-Base interactions energy: -38.608 where: short stacking energy: -29.977 Base-Backbone interact. energy: -0.190 local terms energy: -46.445609 where: bonds (distance) C4'-P energy: -16.492 bonds (distance) P-C4' energy: -11.923 flat angles C4'-P-C4' energy: -8.389 flat angles P-C4'-P energy: -9.815 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: 9, replica: 1 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -76.131891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.131891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.131891 (E_RNA) where: Base-Base interactions energy: -28.546 where: short stacking energy: -22.102 Base-Backbone interact. energy: 0.202 local terms energy: -47.788711 where: bonds (distance) C4'-P energy: -13.724 bonds (distance) P-C4' energy: -15.293 flat angles C4'-P-C4' energy: -12.032 flat angles P-C4'-P energy: -6.643 tors. eta vs tors. theta energy: -0.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -87.207156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.207156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.207156 (E_RNA) where: Base-Base interactions energy: -37.546 where: short stacking energy: -21.813 Base-Backbone interact. energy: -0.114 local terms energy: -49.547758 where: bonds (distance) C4'-P energy: -13.408 bonds (distance) P-C4' energy: -11.134 flat angles C4'-P-C4' energy: -14.205 flat angles P-C4'-P energy: -9.434 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: 10 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -207.396875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.396875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.396875 (E_RNA) where: Base-Base interactions energy: -143.614 where: short stacking energy: -63.269 Base-Backbone interact. energy: -1.379 local terms energy: -62.403906 where: bonds (distance) C4'-P energy: -12.903 bonds (distance) P-C4' energy: -11.529 flat angles C4'-P-C4' energy: -11.801 flat angles P-C4'-P energy: -10.734 tors. eta vs tors. theta energy: -15.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -207.716007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.716007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.716007 (E_RNA) where: Base-Base interactions energy: -142.498 where: short stacking energy: -64.605 Base-Backbone interact. energy: -0.117 local terms energy: -65.101401 where: bonds (distance) C4'-P energy: -12.237 bonds (distance) P-C4' energy: -14.279 flat angles C4'-P-C4' energy: -10.770 flat angles P-C4'-P energy: -11.242 tors. eta vs tors. theta energy: -16.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -213.243257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.243257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.243257 (E_RNA) where: Base-Base interactions energy: -147.179 where: short stacking energy: -61.711 Base-Backbone interact. energy: -1.105 local terms energy: -64.959233 where: bonds (distance) C4'-P energy: -13.976 bonds (distance) P-C4' energy: -16.131 flat angles C4'-P-C4' energy: -12.561 flat angles P-C4'-P energy: -6.813 tors. eta vs tors. theta energy: -15.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -180.871392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.871392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.871392 (E_RNA) where: Base-Base interactions energy: -115.742 where: short stacking energy: -62.309 Base-Backbone interact. energy: -0.102 local terms energy: -65.027886 where: bonds (distance) C4'-P energy: -12.034 bonds (distance) P-C4' energy: -16.600 flat angles C4'-P-C4' energy: -12.084 flat angles P-C4'-P energy: -9.121 tors. eta vs tors. theta energy: -15.188 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: 6 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -185.237441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.237441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.237441 (E_RNA) where: Base-Base interactions energy: -115.878 where: short stacking energy: -56.868 Base-Backbone interact. energy: -0.047 local terms energy: -69.312815 where: bonds (distance) C4'-P energy: -12.854 bonds (distance) P-C4' energy: -15.047 flat angles C4'-P-C4' energy: -15.072 flat angles P-C4'-P energy: -9.251 tors. eta vs tors. theta energy: -17.090 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: 8 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -186.207987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.207987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.207987 (E_RNA) where: Base-Base interactions energy: -129.546 where: short stacking energy: -62.582 Base-Backbone interact. energy: -0.070 local terms energy: -56.592132 where: bonds (distance) C4'-P energy: -12.552 bonds (distance) P-C4' energy: -10.337 flat angles C4'-P-C4' energy: -10.457 flat angles P-C4'-P energy: -7.101 tors. eta vs tors. theta energy: -16.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -177.439148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.439148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.439148 (E_RNA) where: Base-Base interactions energy: -121.730 where: short stacking energy: -48.194 Base-Backbone interact. energy: -0.047 local terms energy: -55.662466 where: bonds (distance) C4'-P energy: -11.996 bonds (distance) P-C4' energy: -11.004 flat angles C4'-P-C4' energy: -12.927 flat angles P-C4'-P energy: -7.092 tors. eta vs tors. theta energy: -12.643 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: 5 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -96.932527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.932527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.932527 (E_RNA) where: Base-Base interactions energy: -48.152 where: short stacking energy: -37.770 Base-Backbone interact. energy: -0.003 local terms energy: -48.777318 where: bonds (distance) C4'-P energy: -12.940 bonds (distance) P-C4' energy: -13.784 flat angles C4'-P-C4' energy: -10.475 flat angles P-C4'-P energy: -2.055 tors. eta vs tors. theta energy: -9.523 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: 9, replica: 1 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -82.869558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.869558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.869558 (E_RNA) where: Base-Base interactions energy: -40.600 where: short stacking energy: -23.501 Base-Backbone interact. energy: -0.091 local terms energy: -42.178513 where: bonds (distance) C4'-P energy: -6.118 bonds (distance) P-C4' energy: -13.791 flat angles C4'-P-C4' energy: -10.058 flat angles P-C4'-P energy: -5.806 tors. eta vs tors. theta energy: -6.406 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: 3 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -74.645039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.645039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.645039 (E_RNA) where: Base-Base interactions energy: -28.038 where: short stacking energy: -26.381 Base-Backbone interact. energy: -0.019 local terms energy: -46.587783 where: bonds (distance) C4'-P energy: -10.485 bonds (distance) P-C4' energy: -13.613 flat angles C4'-P-C4' energy: -11.504 flat angles P-C4'-P energy: -11.511 tors. eta vs tors. theta energy: 0.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -213.440517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.440517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.440517 (E_RNA) where: Base-Base interactions energy: -142.624 where: short stacking energy: -58.967 Base-Backbone interact. energy: -0.740 local terms energy: -70.075581 where: bonds (distance) C4'-P energy: -14.941 bonds (distance) P-C4' energy: -16.483 flat angles C4'-P-C4' energy: -13.143 flat angles P-C4'-P energy: -12.398 tors. eta vs tors. theta energy: -13.111 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: 257 Temperature: 0.950000 Total energy: -221.378187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.378187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.378187 (E_RNA) where: Base-Base interactions energy: -156.251 where: short stacking energy: -60.570 Base-Backbone interact. energy: -0.049 local terms energy: -65.078099 where: bonds (distance) C4'-P energy: -13.418 bonds (distance) P-C4' energy: -13.926 flat angles C4'-P-C4' energy: -14.434 flat angles P-C4'-P energy: -8.408 tors. eta vs tors. theta energy: -14.893 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: 3, replica: 7 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -208.538599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.538599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.538599 (E_RNA) where: Base-Base interactions energy: -143.143 where: short stacking energy: -53.778 Base-Backbone interact. energy: -0.342 local terms energy: -65.052976 where: bonds (distance) C4'-P energy: -14.029 bonds (distance) P-C4' energy: -14.103 flat angles C4'-P-C4' energy: -14.015 flat angles P-C4'-P energy: -9.013 tors. eta vs tors. theta energy: -13.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -194.058539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.058539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.058539 (E_RNA) where: Base-Base interactions energy: -129.711 where: short stacking energy: -62.160 Base-Backbone interact. energy: -0.000 local terms energy: -64.347618 where: bonds (distance) C4'-P energy: -6.959 bonds (distance) P-C4' energy: -16.498 flat angles C4'-P-C4' energy: -12.012 flat angles P-C4'-P energy: -12.078 tors. eta vs tors. theta energy: -16.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -181.653864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.653864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.653864 (E_RNA) where: Base-Base interactions energy: -111.857 where: short stacking energy: -53.827 Base-Backbone interact. energy: -0.665 local terms energy: -69.131654 where: bonds (distance) C4'-P energy: -16.659 bonds (distance) P-C4' energy: -14.395 flat angles C4'-P-C4' energy: -13.780 flat angles P-C4'-P energy: -8.958 tors. eta vs tors. theta energy: -15.340 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: 4 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -178.555574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.555574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.555574 (E_RNA) where: Base-Base interactions energy: -117.880 where: short stacking energy: -49.020 Base-Backbone interact. energy: -0.004 local terms energy: -60.672112 where: bonds (distance) C4'-P energy: -9.617 bonds (distance) P-C4' energy: -16.830 flat angles C4'-P-C4' energy: -12.368 flat angles P-C4'-P energy: -8.259 tors. eta vs tors. theta energy: -13.599 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: 257 Temperature: 1.200000 Total energy: -167.158128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.158128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.158128 (E_RNA) where: Base-Base interactions energy: -101.341 where: short stacking energy: -51.233 Base-Backbone interact. energy: -0.001 local terms energy: -65.816783 where: bonds (distance) C4'-P energy: -12.424 bonds (distance) P-C4' energy: -13.895 flat angles C4'-P-C4' energy: -15.788 flat angles P-C4'-P energy: -10.398 tors. eta vs tors. theta energy: -13.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -90.724765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.724765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.724765 (E_RNA) where: Base-Base interactions energy: -38.880 where: short stacking energy: -23.447 Base-Backbone interact. energy: 0.092 local terms energy: -51.937163 where: bonds (distance) C4'-P energy: -13.441 bonds (distance) P-C4' energy: -12.596 flat angles C4'-P-C4' energy: -14.272 flat angles P-C4'-P energy: -6.768 tors. eta vs tors. theta energy: -4.861 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: 5 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -86.446672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.446672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.446672 (E_RNA) where: Base-Base interactions energy: -30.926 where: short stacking energy: -29.883 Base-Backbone interact. energy: -0.231 local terms energy: -55.289400 where: bonds (distance) C4'-P energy: -17.345 bonds (distance) P-C4' energy: -15.222 flat angles C4'-P-C4' energy: -11.662 flat angles P-C4'-P energy: -7.661 tors. eta vs tors. theta energy: -3.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -79.671216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.671216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.671216 (E_RNA) where: Base-Base interactions energy: -22.385 where: short stacking energy: -22.385 Base-Backbone interact. energy: -0.114 local terms energy: -57.172412 where: bonds (distance) C4'-P energy: -14.377 bonds (distance) P-C4' energy: -15.808 flat angles C4'-P-C4' energy: -15.044 flat angles P-C4'-P energy: -8.692 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: 1, replica: 10 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -213.604793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.604793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.604793 (E_RNA) where: Base-Base interactions energy: -147.300 where: short stacking energy: -62.004 Base-Backbone interact. energy: -1.398 local terms energy: -64.907370 where: bonds (distance) C4'-P energy: -13.424 bonds (distance) P-C4' energy: -12.048 flat angles C4'-P-C4' energy: -16.184 flat angles P-C4'-P energy: -11.228 tors. eta vs tors. theta energy: -12.023 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: 2 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -210.107090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.107090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.107090 (E_RNA) where: Base-Base interactions energy: -138.180 where: short stacking energy: -56.390 Base-Backbone interact. energy: -0.150 local terms energy: -71.777806 where: bonds (distance) C4'-P energy: -16.169 bonds (distance) P-C4' energy: -10.312 flat angles C4'-P-C4' energy: -14.671 flat angles P-C4'-P energy: -10.605 tors. eta vs tors. theta energy: -20.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -202.651959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.651959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.651959 (E_RNA) where: Base-Base interactions energy: -140.436 where: short stacking energy: -59.251 Base-Backbone interact. energy: -0.600 local terms energy: -61.615799 where: bonds (distance) C4'-P energy: -14.259 bonds (distance) P-C4' energy: -11.939 flat angles C4'-P-C4' energy: -14.084 flat angles P-C4'-P energy: -10.124 tors. eta vs tors. theta energy: -11.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -181.002657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.002657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.002657 (E_RNA) where: Base-Base interactions energy: -114.488 where: short stacking energy: -51.146 Base-Backbone interact. energy: -0.136 local terms energy: -66.378208 where: bonds (distance) C4'-P energy: -15.350 bonds (distance) P-C4' energy: -14.345 flat angles C4'-P-C4' energy: -12.653 flat angles P-C4'-P energy: -8.458 tors. eta vs tors. theta energy: -15.572 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: 4 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -176.112102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.112102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.112102 (E_RNA) where: Base-Base interactions energy: -113.150 where: short stacking energy: -52.422 Base-Backbone interact. energy: -0.022 local terms energy: -62.939697 where: bonds (distance) C4'-P energy: -15.193 bonds (distance) P-C4' energy: -13.559 flat angles C4'-P-C4' energy: -12.101 flat angles P-C4'-P energy: -13.157 tors. eta vs tors. theta energy: -8.929 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: 6, replica: 9 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -178.618031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.618031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.618031 (E_RNA) where: Base-Base interactions energy: -115.702 where: short stacking energy: -55.105 Base-Backbone interact. energy: -0.111 local terms energy: -62.804911 where: bonds (distance) C4'-P energy: -11.603 bonds (distance) P-C4' energy: -13.399 flat angles C4'-P-C4' energy: -15.174 flat angles P-C4'-P energy: -10.722 tors. eta vs tors. theta energy: -11.908 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: 8 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -170.527028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.527028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.527028 (E_RNA) where: Base-Base interactions energy: -121.829 where: short stacking energy: -54.077 Base-Backbone interact. energy: 1.052 local terms energy: -49.749489 where: bonds (distance) C4'-P energy: -12.320 bonds (distance) P-C4' energy: -6.510 flat angles C4'-P-C4' energy: -12.628 flat angles P-C4'-P energy: -7.695 tors. eta vs tors. theta energy: -10.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -96.689985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.689985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.689985 (E_RNA) where: Base-Base interactions energy: -45.103 where: short stacking energy: -28.727 Base-Backbone interact. energy: 0.436 local terms energy: -52.022928 where: bonds (distance) C4'-P energy: -14.340 bonds (distance) P-C4' energy: -13.950 flat angles C4'-P-C4' energy: -12.295 flat angles P-C4'-P energy: -8.570 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: 9, replica: 3 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -85.797945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.797945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.797945 (E_RNA) where: Base-Base interactions energy: -29.180 where: short stacking energy: -29.180 Base-Backbone interact. energy: -0.156 local terms energy: -56.461962 where: bonds (distance) C4'-P energy: -12.838 bonds (distance) P-C4' energy: -17.026 flat angles C4'-P-C4' energy: -13.715 flat angles P-C4'-P energy: -10.498 tors. eta vs tors. theta energy: -2.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -72.243178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.243178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.243178 (E_RNA) where: Base-Base interactions energy: -32.270 where: short stacking energy: -29.146 Base-Backbone interact. energy: -0.190 local terms energy: -39.782852 where: bonds (distance) C4'-P energy: -12.576 bonds (distance) P-C4' energy: -11.955 flat angles C4'-P-C4' energy: -9.149 flat angles P-C4'-P energy: -0.260 tors. eta vs tors. theta energy: -5.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -211.421496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.421496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.421496 (E_RNA) where: Base-Base interactions energy: -139.750 where: short stacking energy: -53.745 Base-Backbone interact. energy: -0.028 local terms energy: -71.643965 where: bonds (distance) C4'-P energy: -11.614 bonds (distance) P-C4' energy: -15.953 flat angles C4'-P-C4' energy: -16.289 flat angles P-C4'-P energy: -12.715 tors. eta vs tors. theta energy: -15.073 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: 2 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -205.051094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.051094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.051094 (E_RNA) where: Base-Base interactions energy: -149.478 where: short stacking energy: -64.745 Base-Backbone interact. energy: -0.120 local terms energy: -55.453983 where: bonds (distance) C4'-P energy: -11.698 bonds (distance) P-C4' energy: -9.608 flat angles C4'-P-C4' energy: -11.244 flat angles P-C4'-P energy: -8.259 tors. eta vs tors. theta energy: -14.645 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: 7 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -197.772441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.772441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.772441 (E_RNA) where: Base-Base interactions energy: -132.823 where: short stacking energy: -54.380 Base-Backbone interact. energy: -0.258 local terms energy: -64.691751 where: bonds (distance) C4'-P energy: -14.811 bonds (distance) P-C4' energy: -14.417 flat angles C4'-P-C4' energy: -11.875 flat angles P-C4'-P energy: -11.849 tors. eta vs tors. theta energy: -11.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -187.752792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.752792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.752792 (E_RNA) where: Base-Base interactions energy: -123.469 where: short stacking energy: -50.505 Base-Backbone interact. energy: -0.077 local terms energy: -64.206003 where: bonds (distance) C4'-P energy: -14.463 bonds (distance) P-C4' energy: -15.423 flat angles C4'-P-C4' energy: -14.139 flat angles P-C4'-P energy: -11.108 tors. eta vs tors. theta energy: -9.073 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: 6 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -177.855996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.855996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.855996 (E_RNA) where: Base-Base interactions energy: -112.171 where: short stacking energy: -51.672 Base-Backbone interact. energy: -0.754 local terms energy: -64.931024 where: bonds (distance) C4'-P energy: -11.031 bonds (distance) P-C4' energy: -12.999 flat angles C4'-P-C4' energy: -16.407 flat angles P-C4'-P energy: -11.291 tors. eta vs tors. theta energy: -13.203 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: 259 Temperature: 1.150000 Total energy: -181.932388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.932388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.932388 (E_RNA) where: Base-Base interactions energy: -124.125 where: short stacking energy: -54.087 Base-Backbone interact. energy: -0.426 local terms energy: -57.381204 where: bonds (distance) C4'-P energy: -12.517 bonds (distance) P-C4' energy: -13.962 flat angles C4'-P-C4' energy: -10.938 flat angles P-C4'-P energy: -3.600 tors. eta vs tors. theta energy: -16.364 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: 9 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -176.238733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.238733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.238733 (E_RNA) where: Base-Base interactions energy: -118.358 where: short stacking energy: -57.656 Base-Backbone interact. energy: -0.208 local terms energy: -57.672760 where: bonds (distance) C4'-P energy: -10.917 bonds (distance) P-C4' energy: -13.082 flat angles C4'-P-C4' energy: -14.721 flat angles P-C4'-P energy: -5.376 tors. eta vs tors. theta energy: -13.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -88.347314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.347314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.347314 (E_RNA) where: Base-Base interactions energy: -39.099 where: short stacking energy: -39.099 Base-Backbone interact. energy: -0.004 local terms energy: -49.245220 where: bonds (distance) C4'-P energy: -12.313 bonds (distance) P-C4' energy: -15.364 flat angles C4'-P-C4' energy: -10.367 flat angles P-C4'-P energy: -3.446 tors. eta vs tors. theta energy: -7.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -80.911939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.911939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.911939 (E_RNA) where: Base-Base interactions energy: -28.116 where: short stacking energy: -27.960 Base-Backbone interact. energy: 0.152 local terms energy: -52.947717 where: bonds (distance) C4'-P energy: -9.236 bonds (distance) P-C4' energy: -15.093 flat angles C4'-P-C4' energy: -11.054 flat angles P-C4'-P energy: -9.806 tors. eta vs tors. theta energy: -7.758 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: 5 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -79.127232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.127232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.127232 (E_RNA) where: Base-Base interactions energy: -25.522 where: short stacking energy: -24.909 Base-Backbone interact. energy: 1.691 local terms energy: -55.296376 where: bonds (distance) C4'-P energy: -13.383 bonds (distance) P-C4' energy: -15.064 flat angles C4'-P-C4' energy: -12.456 flat angles P-C4'-P energy: -9.665 tors. eta vs tors. theta energy: -4.729 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: 10 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -211.429384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.429384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.429384 (E_RNA) where: Base-Base interactions energy: -139.509 where: short stacking energy: -63.052 Base-Backbone interact. energy: -0.827 local terms energy: -71.092848 where: bonds (distance) C4'-P energy: -16.124 bonds (distance) P-C4' energy: -13.941 flat angles C4'-P-C4' energy: -14.585 flat angles P-C4'-P energy: -11.156 tors. eta vs tors. theta energy: -15.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -192.812331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.812331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.812331 (E_RNA) where: Base-Base interactions energy: -135.032 where: short stacking energy: -56.526 Base-Backbone interact. energy: -0.083 local terms energy: -57.697025 where: bonds (distance) C4'-P energy: -7.400 bonds (distance) P-C4' energy: -12.440 flat angles C4'-P-C4' energy: -13.420 flat angles P-C4'-P energy: -7.651 tors. eta vs tors. theta energy: -16.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -191.841192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.841192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.841192 (E_RNA) where: Base-Base interactions energy: -124.373 where: short stacking energy: -56.005 Base-Backbone interact. energy: -0.010 local terms energy: -67.458571 where: bonds (distance) C4'-P energy: -12.765 bonds (distance) P-C4' energy: -15.076 flat angles C4'-P-C4' energy: -13.411 flat angles P-C4'-P energy: -10.320 tors. eta vs tors. theta energy: -15.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -183.567841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.567841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.567841 (E_RNA) where: Base-Base interactions energy: -122.191 where: short stacking energy: -56.183 Base-Backbone interact. energy: -0.001 local terms energy: -61.376091 where: bonds (distance) C4'-P energy: -11.501 bonds (distance) P-C4' energy: -11.632 flat angles C4'-P-C4' energy: -14.673 flat angles P-C4'-P energy: -9.269 tors. eta vs tors. theta energy: -14.302 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: 5, replica: 6 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -176.918831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.918831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.918831 (E_RNA) where: Base-Base interactions energy: -121.501 where: short stacking energy: -46.530 Base-Backbone interact. energy: 0.173 local terms energy: -55.590308 where: bonds (distance) C4'-P energy: -12.842 bonds (distance) P-C4' energy: -16.640 flat angles C4'-P-C4' energy: -11.900 flat angles P-C4'-P energy: -9.754 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: 8 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -167.852037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.852037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.852037 (E_RNA) where: Base-Base interactions energy: -108.602 where: short stacking energy: -51.924 Base-Backbone interact. energy: -0.417 local terms energy: -58.833202 where: bonds (distance) C4'-P energy: -12.928 bonds (distance) P-C4' energy: -12.137 flat angles C4'-P-C4' energy: -10.537 flat angles P-C4'-P energy: -12.584 tors. eta vs tors. theta energy: -10.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -165.907981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.907981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.907981 (E_RNA) where: Base-Base interactions energy: -107.890 where: short stacking energy: -44.768 Base-Backbone interact. energy: 0.496 local terms energy: -58.514894 where: bonds (distance) C4'-P energy: -11.628 bonds (distance) P-C4' energy: -15.318 flat angles C4'-P-C4' energy: -16.381 flat angles P-C4'-P energy: -9.502 tors. eta vs tors. theta energy: -5.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -84.843168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.843168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.843168 (E_RNA) where: Base-Base interactions energy: -31.039 where: short stacking energy: -29.469 Base-Backbone interact. energy: -0.107 local terms energy: -53.696370 where: bonds (distance) C4'-P energy: -15.905 bonds (distance) P-C4' energy: -15.699 flat angles C4'-P-C4' energy: -11.916 flat angles P-C4'-P energy: -4.626 tors. eta vs tors. theta energy: -5.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -99.646568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.646568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.646568 (E_RNA) where: Base-Base interactions energy: -55.589 where: short stacking energy: -29.497 Base-Backbone interact. energy: -0.038 local terms energy: -44.019242 where: bonds (distance) C4'-P energy: -4.291 bonds (distance) P-C4' energy: -15.523 flat angles C4'-P-C4' energy: -10.939 flat angles P-C4'-P energy: -4.490 tors. eta vs tors. theta energy: -8.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -76.279147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.279147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.279147 (E_RNA) where: Base-Base interactions energy: -21.593 where: short stacking energy: -21.593 Base-Backbone interact. energy: -0.043 local terms energy: -54.643166 where: bonds (distance) C4'-P energy: -14.543 bonds (distance) P-C4' energy: -12.595 flat angles C4'-P-C4' energy: -9.215 flat angles P-C4'-P energy: -8.161 tors. eta vs tors. theta energy: -10.130 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: 1, replica: 10 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -213.738257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.738257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.738257 (E_RNA) where: Base-Base interactions energy: -141.002 where: short stacking energy: -64.181 Base-Backbone interact. energy: -0.068 local terms energy: -72.668424 where: bonds (distance) C4'-P energy: -16.497 bonds (distance) P-C4' energy: -13.834 flat angles C4'-P-C4' energy: -15.646 flat angles P-C4'-P energy: -9.921 tors. eta vs tors. theta energy: -16.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -196.486889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.486889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.486889 (E_RNA) where: Base-Base interactions energy: -128.423 where: short stacking energy: -63.792 Base-Backbone interact. energy: 0.820 local terms energy: -68.883703 where: bonds (distance) C4'-P energy: -11.433 bonds (distance) P-C4' energy: -15.216 flat angles C4'-P-C4' energy: -13.286 flat angles P-C4'-P energy: -11.798 tors. eta vs tors. theta energy: -17.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -179.773837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.773837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.773837 (E_RNA) where: Base-Base interactions energy: -113.728 where: short stacking energy: -51.253 Base-Backbone interact. energy: -0.014 local terms energy: -66.032600 where: bonds (distance) C4'-P energy: -13.044 bonds (distance) P-C4' energy: -14.185 flat angles C4'-P-C4' energy: -16.804 flat angles P-C4'-P energy: -11.650 tors. eta vs tors. theta energy: -10.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -176.471202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.471202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.471202 (E_RNA) where: Base-Base interactions energy: -114.746 where: short stacking energy: -44.999 Base-Backbone interact. energy: -0.230 local terms energy: -61.495331 where: bonds (distance) C4'-P energy: -12.042 bonds (distance) P-C4' energy: -12.740 flat angles C4'-P-C4' energy: -16.729 flat angles P-C4'-P energy: -9.816 tors. eta vs tors. theta energy: -10.168 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: 4 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -194.681070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.681070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.681070 (E_RNA) where: Base-Base interactions energy: -125.926 where: short stacking energy: -62.518 Base-Backbone interact. energy: -0.019 local terms energy: -68.735531 where: bonds (distance) C4'-P energy: -15.026 bonds (distance) P-C4' energy: -16.122 flat angles C4'-P-C4' energy: -12.279 flat angles P-C4'-P energy: -8.990 tors. eta vs tors. theta energy: -16.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -178.656555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.656555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.656555 (E_RNA) where: Base-Base interactions energy: -129.479 where: short stacking energy: -51.749 Base-Backbone interact. energy: 0.952 local terms energy: -50.129004 where: bonds (distance) C4'-P energy: -13.964 bonds (distance) P-C4' energy: -11.025 flat angles C4'-P-C4' energy: -10.616 flat angles P-C4'-P energy: -4.688 tors. eta vs tors. theta energy: -9.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -151.876327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.876327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.876327 (E_RNA) where: Base-Base interactions energy: -104.317 where: short stacking energy: -39.793 Base-Backbone interact. energy: -0.024 local terms energy: -47.535243 where: bonds (distance) C4'-P energy: -10.846 bonds (distance) P-C4' energy: -14.681 flat angles C4'-P-C4' energy: -10.223 flat angles P-C4'-P energy: -4.246 tors. eta vs tors. theta energy: -7.540 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: 1 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -78.885526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.885526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.885526 (E_RNA) where: Base-Base interactions energy: -28.772 where: short stacking energy: -28.737 Base-Backbone interact. energy: -0.019 local terms energy: -50.094367 where: bonds (distance) C4'-P energy: -10.834 bonds (distance) P-C4' energy: -15.069 flat angles C4'-P-C4' energy: -11.919 flat angles P-C4'-P energy: -9.839 tors. eta vs tors. theta energy: -2.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -84.285614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.285614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.285614 (E_RNA) where: Base-Base interactions energy: -39.331 where: short stacking energy: -33.196 Base-Backbone interact. energy: -0.217 local terms energy: -44.737071 where: bonds (distance) C4'-P energy: -11.873 bonds (distance) P-C4' energy: -12.171 flat angles C4'-P-C4' energy: -10.277 flat angles P-C4'-P energy: -5.457 tors. eta vs tors. theta energy: -4.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -78.100625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.100625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.100625 (E_RNA) where: Base-Base interactions energy: -27.543 where: short stacking energy: -27.543 Base-Backbone interact. energy: -0.150 local terms energy: -50.407362 where: bonds (distance) C4'-P energy: -12.908 bonds (distance) P-C4' energy: -15.657 flat angles C4'-P-C4' energy: -11.293 flat angles P-C4'-P energy: -7.192 tors. eta vs tors. theta energy: -3.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -223.354190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.354190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.354190 (E_RNA) where: Base-Base interactions energy: -149.313 where: short stacking energy: -63.832 Base-Backbone interact. energy: -0.060 local terms energy: -73.981398 where: bonds (distance) C4'-P energy: -15.869 bonds (distance) P-C4' energy: -15.594 flat angles C4'-P-C4' energy: -16.857 flat angles P-C4'-P energy: -8.424 tors. eta vs tors. theta energy: -17.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -205.519567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.519567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.519567 (E_RNA) where: Base-Base interactions energy: -142.723 where: short stacking energy: -64.825 Base-Backbone interact. energy: -0.640 local terms energy: -62.156464 where: bonds (distance) C4'-P energy: -10.510 bonds (distance) P-C4' energy: -11.067 flat angles C4'-P-C4' energy: -13.020 flat angles P-C4'-P energy: -8.534 tors. eta vs tors. theta energy: -19.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -199.709079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.709079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.709079 (E_RNA) where: Base-Base interactions energy: -127.819 where: short stacking energy: -66.872 Base-Backbone interact. energy: -0.297 local terms energy: -71.593201 where: bonds (distance) C4'-P energy: -13.284 bonds (distance) P-C4' energy: -14.147 flat angles C4'-P-C4' energy: -16.722 flat angles P-C4'-P energy: -10.093 tors. eta vs tors. theta energy: -17.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -183.066545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.066545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.066545 (E_RNA) where: Base-Base interactions energy: -128.672 where: short stacking energy: -61.461 Base-Backbone interact. energy: 0.542 local terms energy: -54.936544 where: bonds (distance) C4'-P energy: -9.960 bonds (distance) P-C4' energy: -12.978 flat angles C4'-P-C4' energy: -16.061 flat angles P-C4'-P energy: -6.568 tors. eta vs tors. theta energy: -9.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -162.698635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.698635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.698635 (E_RNA) where: Base-Base interactions energy: -103.997 where: short stacking energy: -50.401 Base-Backbone interact. energy: -0.169 local terms energy: -58.532331 where: bonds (distance) C4'-P energy: -16.721 bonds (distance) P-C4' energy: -11.704 flat angles C4'-P-C4' energy: -16.091 flat angles P-C4'-P energy: -7.861 tors. eta vs tors. theta energy: -6.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -181.771764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.771764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.771764 (E_RNA) where: Base-Base interactions energy: -114.126 where: short stacking energy: -55.937 Base-Backbone interact. energy: -0.043 local terms energy: -67.602940 where: bonds (distance) C4'-P energy: -13.802 bonds (distance) P-C4' energy: -13.174 flat angles C4'-P-C4' energy: -15.770 flat angles P-C4'-P energy: -11.125 tors. eta vs tors. theta energy: -13.732 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: 9 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -167.145041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.145041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.145041 (E_RNA) where: Base-Base interactions energy: -106.743 where: short stacking energy: -45.232 Base-Backbone interact. energy: -0.057 local terms energy: -60.344760 where: bonds (distance) C4'-P energy: -12.691 bonds (distance) P-C4' energy: -14.981 flat angles C4'-P-C4' energy: -13.053 flat angles P-C4'-P energy: -6.816 tors. eta vs tors. theta energy: -12.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -85.848376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.848376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.848376 (E_RNA) where: Base-Base interactions energy: -27.533 where: short stacking energy: -27.533 Base-Backbone interact. energy: -0.061 local terms energy: -58.253482 where: bonds (distance) C4'-P energy: -10.598 bonds (distance) P-C4' energy: -14.891 flat angles C4'-P-C4' energy: -15.880 flat angles P-C4'-P energy: -10.391 tors. eta vs tors. theta energy: -6.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -75.070407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.070407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.070407 (E_RNA) where: Base-Base interactions energy: -20.832 where: short stacking energy: -20.422 Base-Backbone interact. energy: -0.623 local terms energy: -53.615746 where: bonds (distance) C4'-P energy: -15.272 bonds (distance) P-C4' energy: -14.801 flat angles C4'-P-C4' energy: -15.346 flat angles P-C4'-P energy: -6.582 tors. eta vs tors. theta energy: -1.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -86.661091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.661091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.661091 (E_RNA) where: Base-Base interactions energy: -39.202 where: short stacking energy: -24.693 Base-Backbone interact. energy: -0.315 local terms energy: -47.144162 where: bonds (distance) C4'-P energy: -11.698 bonds (distance) P-C4' energy: -16.164 flat angles C4'-P-C4' energy: -11.043 flat angles P-C4'-P energy: -8.523 tors. eta vs tors. theta energy: 0.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -217.220644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.220644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.220644 (E_RNA) where: Base-Base interactions energy: -149.958 where: short stacking energy: -66.376 Base-Backbone interact. energy: -0.325 local terms energy: -66.937936 where: bonds (distance) C4'-P energy: -16.675 bonds (distance) P-C4' energy: -9.290 flat angles C4'-P-C4' energy: -16.871 flat angles P-C4'-P energy: -10.156 tors. eta vs tors. theta energy: -13.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -200.773326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.773326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.773326 (E_RNA) where: Base-Base interactions energy: -136.937 where: short stacking energy: -56.884 Base-Backbone interact. energy: -0.007 local terms energy: -63.829399 where: bonds (distance) C4'-P energy: -10.602 bonds (distance) P-C4' energy: -12.806 flat angles C4'-P-C4' energy: -16.011 flat angles P-C4'-P energy: -10.539 tors. eta vs tors. theta energy: -13.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -190.055745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.055745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.055745 (E_RNA) where: Base-Base interactions energy: -120.138 where: short stacking energy: -57.700 Base-Backbone interact. energy: -0.056 local terms energy: -69.861698 where: bonds (distance) C4'-P energy: -15.122 bonds (distance) P-C4' energy: -16.226 flat angles C4'-P-C4' energy: -13.233 flat angles P-C4'-P energy: -12.544 tors. eta vs tors. theta energy: -12.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -189.274730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.274730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.274730 (E_RNA) where: Base-Base interactions energy: -125.060 where: short stacking energy: -55.840 Base-Backbone interact. energy: -0.034 local terms energy: -64.180563 where: bonds (distance) C4'-P energy: -11.649 bonds (distance) P-C4' energy: -12.440 flat angles C4'-P-C4' energy: -15.061 flat angles P-C4'-P energy: -11.543 tors. eta vs tors. theta energy: -13.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -182.876725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.876725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.876725 (E_RNA) where: Base-Base interactions energy: -115.928 where: short stacking energy: -49.057 Base-Backbone interact. energy: 0.110 local terms energy: -67.058694 where: bonds (distance) C4'-P energy: -14.004 bonds (distance) P-C4' energy: -16.143 flat angles C4'-P-C4' energy: -16.155 flat angles P-C4'-P energy: -5.680 tors. eta vs tors. theta energy: -15.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -180.022978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.022978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.022978 (E_RNA) where: Base-Base interactions energy: -112.477 where: short stacking energy: -53.748 Base-Backbone interact. energy: 0.062 local terms energy: -67.608190 where: bonds (distance) C4'-P energy: -16.207 bonds (distance) P-C4' energy: -11.242 flat angles C4'-P-C4' energy: -13.785 flat angles P-C4'-P energy: -11.295 tors. eta vs tors. theta energy: -15.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -178.207193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.207193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.207193 (E_RNA) where: Base-Base interactions energy: -122.389 where: short stacking energy: -59.454 Base-Backbone interact. energy: -0.069 local terms energy: -55.749389 where: bonds (distance) C4'-P energy: -8.482 bonds (distance) P-C4' energy: -15.840 flat angles C4'-P-C4' energy: -12.369 flat angles P-C4'-P energy: -6.311 tors. eta vs tors. theta energy: -12.747 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: 8, replica: 3 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -83.554224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.554224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.554224 (E_RNA) where: Base-Base interactions energy: -31.537 where: short stacking energy: -31.537 Base-Backbone interact. energy: 0.792 local terms energy: -52.809061 where: bonds (distance) C4'-P energy: -10.871 bonds (distance) P-C4' energy: -10.161 flat angles C4'-P-C4' energy: -14.079 flat angles P-C4'-P energy: -13.254 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: 9, replica: 1 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -89.793376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.793376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.793376 (E_RNA) where: Base-Base interactions energy: -37.501 where: short stacking energy: -23.645 Base-Backbone interact. energy: -0.314 local terms energy: -51.978225 where: bonds (distance) C4'-P energy: -13.902 bonds (distance) P-C4' energy: -13.891 flat angles C4'-P-C4' energy: -15.399 flat angles P-C4'-P energy: -4.236 tors. eta vs tors. theta energy: -4.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -72.510027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.510027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.510027 (E_RNA) where: Base-Base interactions energy: -35.245 where: short stacking energy: -24.682 Base-Backbone interact. energy: -0.739 local terms energy: -36.526059 where: bonds (distance) C4'-P energy: -13.615 bonds (distance) P-C4' energy: -11.888 flat angles C4'-P-C4' energy: -10.845 flat angles P-C4'-P energy: -3.991 tors. eta vs tors. theta energy: 3.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -219.342965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.342965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.342965 (E_RNA) where: Base-Base interactions energy: -151.245 where: short stacking energy: -66.604 Base-Backbone interact. energy: -1.566 local terms energy: -66.532188 where: bonds (distance) C4'-P energy: -13.832 bonds (distance) P-C4' energy: -15.409 flat angles C4'-P-C4' energy: -13.687 flat angles P-C4'-P energy: -9.294 tors. eta vs tors. theta energy: -14.311 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: 2 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -216.072087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.072087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.072087 (E_RNA) where: Base-Base interactions energy: -141.702 where: short stacking energy: -64.004 Base-Backbone interact. energy: -1.234 local terms energy: -73.136120 where: bonds (distance) C4'-P energy: -12.865 bonds (distance) P-C4' energy: -16.803 flat angles C4'-P-C4' energy: -16.525 flat angles P-C4'-P energy: -9.916 tors. eta vs tors. theta energy: -17.026 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: 6 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -194.131981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.131981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.131981 (E_RNA) where: Base-Base interactions energy: -126.507 where: short stacking energy: -64.577 Base-Backbone interact. energy: -0.106 local terms energy: -67.518250 where: bonds (distance) C4'-P energy: -11.950 bonds (distance) P-C4' energy: -14.948 flat angles C4'-P-C4' energy: -14.710 flat angles P-C4'-P energy: -9.052 tors. eta vs tors. theta energy: -16.858 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: 8 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -175.750037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.750037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.750037 (E_RNA) where: Base-Base interactions energy: -111.725 where: short stacking energy: -53.254 Base-Backbone interact. energy: -0.637 local terms energy: -63.387341 where: bonds (distance) C4'-P energy: -14.589 bonds (distance) P-C4' energy: -15.215 flat angles C4'-P-C4' energy: -11.018 flat angles P-C4'-P energy: -11.791 tors. eta vs tors. theta energy: -10.774 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: 4 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -184.761851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.761851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.761851 (E_RNA) where: Base-Base interactions energy: -116.417 where: short stacking energy: -51.568 Base-Backbone interact. energy: 0.647 local terms energy: -68.992048 where: bonds (distance) C4'-P energy: -13.814 bonds (distance) P-C4' energy: -16.354 flat angles C4'-P-C4' energy: -14.597 flat angles P-C4'-P energy: -7.546 tors. eta vs tors. theta energy: -16.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -184.667228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.667228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.667228 (E_RNA) where: Base-Base interactions energy: -115.125 where: short stacking energy: -52.901 Base-Backbone interact. energy: -0.008 local terms energy: -69.534322 where: bonds (distance) C4'-P energy: -15.975 bonds (distance) P-C4' energy: -15.646 flat angles C4'-P-C4' energy: -13.502 flat angles P-C4'-P energy: -10.186 tors. eta vs tors. theta energy: -14.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -88.744422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.744422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.744422 (E_RNA) where: Base-Base interactions energy: -37.670 where: short stacking energy: -37.670 Base-Backbone interact. energy: -0.151 local terms energy: -50.924143 where: bonds (distance) C4'-P energy: -9.810 bonds (distance) P-C4' energy: -12.047 flat angles C4'-P-C4' energy: -17.343 flat angles P-C4'-P energy: -7.612 tors. eta vs tors. theta energy: -4.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -147.561335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.561335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.561335 (E_RNA) where: Base-Base interactions energy: -92.330 where: short stacking energy: -40.799 Base-Backbone interact. energy: -0.219 local terms energy: -55.012275 where: bonds (distance) C4'-P energy: -7.058 bonds (distance) P-C4' energy: -14.259 flat angles C4'-P-C4' energy: -14.582 flat angles P-C4'-P energy: -12.712 tors. eta vs tors. theta energy: -6.401 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: 5 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -76.895451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.895451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.895451 (E_RNA) where: Base-Base interactions energy: -28.351 where: short stacking energy: -28.319 Base-Backbone interact. energy: -0.002 local terms energy: -48.542832 where: bonds (distance) C4'-P energy: -11.356 bonds (distance) P-C4' energy: -14.591 flat angles C4'-P-C4' energy: -9.970 flat angles P-C4'-P energy: -7.302 tors. eta vs tors. theta energy: -5.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -88.231049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.231049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.231049 (E_RNA) where: Base-Base interactions energy: -36.233 where: short stacking energy: -33.660 Base-Backbone interact. energy: -0.011 local terms energy: -51.987372 where: bonds (distance) C4'-P energy: -12.787 bonds (distance) P-C4' energy: -13.484 flat angles C4'-P-C4' energy: -12.109 flat angles P-C4'-P energy: -7.174 tors. eta vs tors. theta energy: -6.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -221.138593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.138593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.138593 (E_RNA) where: Base-Base interactions energy: -148.420 where: short stacking energy: -62.669 Base-Backbone interact. energy: -0.221 local terms energy: -72.497551 where: bonds (distance) C4'-P energy: -12.450 bonds (distance) P-C4' energy: -16.428 flat angles C4'-P-C4' energy: -15.626 flat angles P-C4'-P energy: -11.705 tors. eta vs tors. theta energy: -16.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -215.008430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.008430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.008430 (E_RNA) where: Base-Base interactions energy: -143.063 where: short stacking energy: -58.633 Base-Backbone interact. energy: -0.501 local terms energy: -71.444626 where: bonds (distance) C4'-P energy: -13.968 bonds (distance) P-C4' energy: -11.708 flat angles C4'-P-C4' energy: -16.265 flat angles P-C4'-P energy: -9.759 tors. eta vs tors. theta energy: -19.744 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: 6 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -176.966304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.966304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.966304 (E_RNA) where: Base-Base interactions energy: -113.174 where: short stacking energy: -54.226 Base-Backbone interact. energy: -1.284 local terms energy: -62.508564 where: bonds (distance) C4'-P energy: -13.470 bonds (distance) P-C4' energy: -11.793 flat angles C4'-P-C4' energy: -13.933 flat angles P-C4'-P energy: -9.980 tors. eta vs tors. theta energy: -13.332 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: 265 Temperature: 1.050000 Total energy: -177.878458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.878458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.878458 (E_RNA) where: Base-Base interactions energy: -119.374 where: short stacking energy: -51.655 Base-Backbone interact. energy: -0.064 local terms energy: -58.440390 where: bonds (distance) C4'-P energy: -13.425 bonds (distance) P-C4' energy: -8.270 flat angles C4'-P-C4' energy: -16.244 flat angles P-C4'-P energy: -6.291 tors. eta vs tors. theta energy: -14.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -189.826501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.826501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.826501 (E_RNA) where: Base-Base interactions energy: -121.790 where: short stacking energy: -59.574 Base-Backbone interact. energy: 2.619 local terms energy: -70.656097 where: bonds (distance) C4'-P energy: -15.053 bonds (distance) P-C4' energy: -11.435 flat angles C4'-P-C4' energy: -16.204 flat angles P-C4'-P energy: -9.678 tors. eta vs tors. theta energy: -18.287 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: 7 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -177.983101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.983101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.983101 (E_RNA) where: Base-Base interactions energy: -110.470 where: short stacking energy: -50.301 Base-Backbone interact. energy: -0.030 local terms energy: -67.482715 where: bonds (distance) C4'-P energy: -11.616 bonds (distance) P-C4' energy: -14.582 flat angles C4'-P-C4' energy: -14.641 flat angles P-C4'-P energy: -10.776 tors. eta vs tors. theta energy: -15.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -96.035401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.035401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.035401 (E_RNA) where: Base-Base interactions energy: -43.771 where: short stacking energy: -36.000 Base-Backbone interact. energy: -0.135 local terms energy: -52.128752 where: bonds (distance) C4'-P energy: -8.009 bonds (distance) P-C4' energy: -13.818 flat angles C4'-P-C4' energy: -14.010 flat angles P-C4'-P energy: -8.965 tors. eta vs tors. theta energy: -7.327 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: 8, replica: 5 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -84.812187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.812187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.812187 (E_RNA) where: Base-Base interactions energy: -34.488 where: short stacking energy: -34.488 Base-Backbone interact. energy: -0.122 local terms energy: -50.202798 where: bonds (distance) C4'-P energy: -6.850 bonds (distance) P-C4' energy: -12.162 flat angles C4'-P-C4' energy: -16.826 flat angles P-C4'-P energy: -12.120 tors. eta vs tors. theta energy: -2.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -153.950741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.950741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.950741 (E_RNA) where: Base-Base interactions energy: -97.994 where: short stacking energy: -35.526 Base-Backbone interact. energy: -0.763 local terms energy: -55.193504 where: bonds (distance) C4'-P energy: -12.376 bonds (distance) P-C4' energy: -14.308 flat angles C4'-P-C4' energy: -13.924 flat angles P-C4'-P energy: -11.253 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: 10, replica: 1 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -73.715224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.715224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.715224 (E_RNA) where: Base-Base interactions energy: -22.007 where: short stacking energy: -18.732 Base-Backbone interact. energy: -0.369 local terms energy: -51.339423 where: bonds (distance) C4'-P energy: -13.575 bonds (distance) P-C4' energy: -13.075 flat angles C4'-P-C4' energy: -9.494 flat angles P-C4'-P energy: -13.101 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: 1, replica: 2 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -225.623350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.623350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.623350 (E_RNA) where: Base-Base interactions energy: -148.984 where: short stacking energy: -62.932 Base-Backbone interact. energy: -0.045 local terms energy: -76.595009 where: bonds (distance) C4'-P energy: -17.044 bonds (distance) P-C4' energy: -16.353 flat angles C4'-P-C4' energy: -16.454 flat angles P-C4'-P energy: -7.641 tors. eta vs tors. theta energy: -19.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -214.884342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.884342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.884342 (E_RNA) where: Base-Base interactions energy: -148.463 where: short stacking energy: -67.994 Base-Backbone interact. energy: -0.023 local terms energy: -66.398471 where: bonds (distance) C4'-P energy: -14.218 bonds (distance) P-C4' energy: -14.846 flat angles C4'-P-C4' energy: -12.530 flat angles P-C4'-P energy: -7.539 tors. eta vs tors. theta energy: -17.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -191.216066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.216066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.216066 (E_RNA) where: Base-Base interactions energy: -123.164 where: short stacking energy: -60.722 Base-Backbone interact. energy: -0.011 local terms energy: -68.041878 where: bonds (distance) C4'-P energy: -15.611 bonds (distance) P-C4' energy: -14.113 flat angles C4'-P-C4' energy: -13.182 flat angles P-C4'-P energy: -6.428 tors. eta vs tors. theta energy: -18.708 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: 8 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -185.129639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.129639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.129639 (E_RNA) where: Base-Base interactions energy: -117.371 where: short stacking energy: -53.860 Base-Backbone interact. energy: -0.127 local terms energy: -67.630942 where: bonds (distance) C4'-P energy: -14.149 bonds (distance) P-C4' energy: -14.480 flat angles C4'-P-C4' energy: -13.971 flat angles P-C4'-P energy: -11.113 tors. eta vs tors. theta energy: -13.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -174.694183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.694183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.694183 (E_RNA) where: Base-Base interactions energy: -113.886 where: short stacking energy: -51.955 Base-Backbone interact. energy: -0.197 local terms energy: -60.611241 where: bonds (distance) C4'-P energy: -13.100 bonds (distance) P-C4' energy: -13.948 flat angles C4'-P-C4' energy: -16.121 flat angles P-C4'-P energy: -5.109 tors. eta vs tors. theta energy: -12.334 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: 4 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -186.866654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.866654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.866654 (E_RNA) where: Base-Base interactions energy: -116.277 where: short stacking energy: -63.735 Base-Backbone interact. energy: -0.103 local terms energy: -70.487338 where: bonds (distance) C4'-P energy: -12.124 bonds (distance) P-C4' energy: -14.807 flat angles C4'-P-C4' energy: -16.001 flat angles P-C4'-P energy: -10.033 tors. eta vs tors. theta energy: -17.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -102.604552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.604552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.604552 (E_RNA) where: Base-Base interactions energy: -48.128 where: short stacking energy: -45.259 Base-Backbone interact. energy: -0.057 local terms energy: -54.419278 where: bonds (distance) C4'-P energy: -11.837 bonds (distance) P-C4' energy: -13.474 flat angles C4'-P-C4' energy: -13.899 flat angles P-C4'-P energy: -8.397 tors. eta vs tors. theta energy: -6.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -114.433289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.433289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.433289 (E_RNA) where: Base-Base interactions energy: -68.317 where: short stacking energy: -24.995 Base-Backbone interact. energy: -0.145 local terms energy: -45.971205 where: bonds (distance) C4'-P energy: -13.583 bonds (distance) P-C4' energy: -9.041 flat angles C4'-P-C4' energy: -12.712 flat angles P-C4'-P energy: -4.845 tors. eta vs tors. theta energy: -5.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -148.436661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.436661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.436661 (E_RNA) where: Base-Base interactions energy: -96.282 where: short stacking energy: -53.857 Base-Backbone interact. energy: 0.949 local terms energy: -53.103702 where: bonds (distance) C4'-P energy: -7.691 bonds (distance) P-C4' energy: -13.998 flat angles C4'-P-C4' energy: -9.660 flat angles P-C4'-P energy: -8.890 tors. eta vs tors. theta energy: -12.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -73.375011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.375011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.375011 (E_RNA) where: Base-Base interactions energy: -31.097 where: short stacking energy: -21.781 Base-Backbone interact. energy: 0.866 local terms energy: -43.144664 where: bonds (distance) C4'-P energy: -11.885 bonds (distance) P-C4' energy: -10.556 flat angles C4'-P-C4' energy: -15.101 flat angles P-C4'-P energy: -8.315 tors. eta vs tors. theta energy: 2.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -216.367472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.367472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.367472 (E_RNA) where: Base-Base interactions energy: -158.449 where: short stacking energy: -56.299 Base-Backbone interact. energy: -0.234 local terms energy: -57.684435 where: bonds (distance) C4'-P energy: -13.158 bonds (distance) P-C4' energy: -13.509 flat angles C4'-P-C4' energy: -7.444 flat angles P-C4'-P energy: -6.832 tors. eta vs tors. theta energy: -16.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -218.476236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.476236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.476236 (E_RNA) where: Base-Base interactions energy: -147.963 where: short stacking energy: -70.520 Base-Backbone interact. energy: -0.402 local terms energy: -70.111486 where: bonds (distance) C4'-P energy: -12.179 bonds (distance) P-C4' energy: -16.614 flat angles C4'-P-C4' energy: -15.102 flat angles P-C4'-P energy: -7.069 tors. eta vs tors. theta energy: -19.148 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: 3, replica: 6 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -180.614236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.614236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.614236 (E_RNA) where: Base-Base interactions energy: -118.562 where: short stacking energy: -54.746 Base-Backbone interact. energy: -0.905 local terms energy: -61.147352 where: bonds (distance) C4'-P energy: -14.074 bonds (distance) P-C4' energy: -11.877 flat angles C4'-P-C4' energy: -16.466 flat angles P-C4'-P energy: -6.657 tors. eta vs tors. theta energy: -12.073 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: 8 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -198.835110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.835110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.835110 (E_RNA) where: Base-Base interactions energy: -132.594 where: short stacking energy: -59.239 Base-Backbone interact. energy: 0.503 local terms energy: -66.744315 where: bonds (distance) C4'-P energy: -14.405 bonds (distance) P-C4' energy: -17.069 flat angles C4'-P-C4' energy: -11.398 flat angles P-C4'-P energy: -10.441 tors. eta vs tors. theta energy: -13.430 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: 7 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -173.344482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.344482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.344482 (E_RNA) where: Base-Base interactions energy: -113.121 where: short stacking energy: -54.535 Base-Backbone interact. energy: -0.302 local terms energy: -59.921697 where: bonds (distance) C4'-P energy: -11.583 bonds (distance) P-C4' energy: -14.182 flat angles C4'-P-C4' energy: -10.649 flat angles P-C4'-P energy: -11.151 tors. eta vs tors. theta energy: -12.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -172.099286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.099286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.099286 (E_RNA) where: Base-Base interactions energy: -115.241 where: short stacking energy: -51.283 Base-Backbone interact. energy: -0.007 local terms energy: -56.851720 where: bonds (distance) C4'-P energy: -10.110 bonds (distance) P-C4' energy: -13.273 flat angles C4'-P-C4' energy: -9.100 flat angles P-C4'-P energy: -10.997 tors. eta vs tors. theta energy: -13.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -88.402894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.402894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.402894 (E_RNA) where: Base-Base interactions energy: -45.693 where: short stacking energy: -26.919 Base-Backbone interact. energy: 0.455 local terms energy: -43.164635 where: bonds (distance) C4'-P energy: -9.744 bonds (distance) P-C4' energy: -14.805 flat angles C4'-P-C4' energy: -10.914 flat angles P-C4'-P energy: -4.405 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: 9 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -167.237216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.237216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.237216 (E_RNA) where: Base-Base interactions energy: -108.852 where: short stacking energy: -44.967 Base-Backbone interact. energy: -0.194 local terms energy: -58.191201 where: bonds (distance) C4'-P energy: -13.472 bonds (distance) P-C4' energy: -13.609 flat angles C4'-P-C4' energy: -15.633 flat angles P-C4'-P energy: -6.811 tors. eta vs tors. theta energy: -8.666 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: 267 Temperature: 1.300000 Total energy: -110.756559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.756559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.756559 (E_RNA) where: Base-Base interactions energy: -69.443 where: short stacking energy: -31.120 Base-Backbone interact. energy: -0.316 local terms energy: -40.998086 where: bonds (distance) C4'-P energy: -8.830 bonds (distance) P-C4' energy: -15.607 flat angles C4'-P-C4' energy: -10.472 flat angles P-C4'-P energy: -6.388 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: 10, replica: 1 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -78.115790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.115790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.115790 (E_RNA) where: Base-Base interactions energy: -32.792 where: short stacking energy: -32.792 Base-Backbone interact. energy: -1.049 local terms energy: -44.274761 where: bonds (distance) C4'-P energy: -9.693 bonds (distance) P-C4' energy: -12.483 flat angles C4'-P-C4' energy: -13.908 flat angles P-C4'-P energy: -8.567 tors. eta vs tors. theta energy: 0.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -221.095818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.095818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.095818 (E_RNA) where: Base-Base interactions energy: -146.043 where: short stacking energy: -70.455 Base-Backbone interact. energy: -0.001 local terms energy: -75.051405 where: bonds (distance) C4'-P energy: -11.989 bonds (distance) P-C4' energy: -15.963 flat angles C4'-P-C4' energy: -15.487 flat angles P-C4'-P energy: -13.144 tors. eta vs tors. theta energy: -18.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -213.825352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.825352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.825352 (E_RNA) where: Base-Base interactions energy: -145.115 where: short stacking energy: -54.143 Base-Backbone interact. energy: -0.580 local terms energy: -68.131137 where: bonds (distance) C4'-P energy: -14.034 bonds (distance) P-C4' energy: -15.255 flat angles C4'-P-C4' energy: -13.955 flat angles P-C4'-P energy: -8.162 tors. eta vs tors. theta energy: -16.725 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: 3, replica: 8 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -192.857418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.857418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.857418 (E_RNA) where: Base-Base interactions energy: -124.884 where: short stacking energy: -57.425 Base-Backbone interact. energy: -0.025 local terms energy: -67.948807 where: bonds (distance) C4'-P energy: -9.917 bonds (distance) P-C4' energy: -16.402 flat angles C4'-P-C4' energy: -15.349 flat angles P-C4'-P energy: -10.575 tors. eta vs tors. theta energy: -15.705 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: 6 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -183.233408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.233408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.233408 (E_RNA) where: Base-Base interactions energy: -116.057 where: short stacking energy: -60.906 Base-Backbone interact. energy: -0.071 local terms energy: -67.104788 where: bonds (distance) C4'-P energy: -13.738 bonds (distance) P-C4' energy: -12.251 flat angles C4'-P-C4' energy: -14.492 flat angles P-C4'-P energy: -10.932 tors. eta vs tors. theta energy: -15.691 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: 4 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -178.511530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.511530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.511530 (E_RNA) where: Base-Base interactions energy: -121.823 where: short stacking energy: -48.403 Base-Backbone interact. energy: -1.019 local terms energy: -55.668777 where: bonds (distance) C4'-P energy: -14.588 bonds (distance) P-C4' energy: -15.305 flat angles C4'-P-C4' energy: -11.769 flat angles P-C4'-P energy: -5.455 tors. eta vs tors. theta energy: -8.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -169.903741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.903741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.903741 (E_RNA) where: Base-Base interactions energy: -113.813 where: short stacking energy: -51.411 Base-Backbone interact. energy: -0.156 local terms energy: -55.935006 where: bonds (distance) C4'-P energy: -12.679 bonds (distance) P-C4' energy: -13.831 flat angles C4'-P-C4' energy: -14.758 flat angles P-C4'-P energy: -3.111 tors. eta vs tors. theta energy: -11.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -145.672176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.672176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.672176 (E_RNA) where: Base-Base interactions energy: -94.497 where: short stacking energy: -40.365 Base-Backbone interact. energy: -0.276 local terms energy: -50.899344 where: bonds (distance) C4'-P energy: -15.839 bonds (distance) P-C4' energy: -11.008 flat angles C4'-P-C4' energy: -9.196 flat angles P-C4'-P energy: -10.470 tors. eta vs tors. theta energy: -4.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -100.837667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.837667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.837667 (E_RNA) where: Base-Base interactions energy: -54.361 where: short stacking energy: -33.717 Base-Backbone interact. energy: -0.230 local terms energy: -46.246196 where: bonds (distance) C4'-P energy: -10.118 bonds (distance) P-C4' energy: -12.443 flat angles C4'-P-C4' energy: -9.973 flat angles P-C4'-P energy: -8.782 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: 9, replica: 1 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -87.265359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.265359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.265359 (E_RNA) where: Base-Base interactions energy: -38.990 where: short stacking energy: -21.989 Base-Backbone interact. energy: -0.882 local terms energy: -47.393745 where: bonds (distance) C4'-P energy: -14.171 bonds (distance) P-C4' energy: -14.583 flat angles C4'-P-C4' energy: -13.278 flat angles P-C4'-P energy: -7.125 tors. eta vs tors. theta energy: 1.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -72.254477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.254477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.254477 (E_RNA) where: Base-Base interactions energy: -29.372 where: short stacking energy: -29.372 Base-Backbone interact. energy: 0.003 local terms energy: -42.885046 where: bonds (distance) C4'-P energy: -10.714 bonds (distance) P-C4' energy: -10.391 flat angles C4'-P-C4' energy: -13.775 flat angles P-C4'-P energy: -6.844 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: 1, replica: 10 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -223.847552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.847552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.847552 (E_RNA) where: Base-Base interactions energy: -153.194 where: short stacking energy: -67.379 Base-Backbone interact. energy: -0.415 local terms energy: -70.239041 where: bonds (distance) C4'-P energy: -15.156 bonds (distance) P-C4' energy: -17.330 flat angles C4'-P-C4' energy: -14.420 flat angles P-C4'-P energy: -5.205 tors. eta vs tors. theta energy: -18.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -209.606441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.606441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.606441 (E_RNA) where: Base-Base interactions energy: -140.090 where: short stacking energy: -60.847 Base-Backbone interact. energy: -0.181 local terms energy: -69.335016 where: bonds (distance) C4'-P energy: -14.278 bonds (distance) P-C4' energy: -15.756 flat angles C4'-P-C4' energy: -9.821 flat angles P-C4'-P energy: -11.158 tors. eta vs tors. theta energy: -18.322 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: 8 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -191.013752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.013752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.013752 (E_RNA) where: Base-Base interactions energy: -123.217 where: short stacking energy: -63.607 Base-Backbone interact. energy: -0.004 local terms energy: -67.793259 where: bonds (distance) C4'-P energy: -11.409 bonds (distance) P-C4' energy: -16.085 flat angles C4'-P-C4' energy: -15.563 flat angles P-C4'-P energy: -9.102 tors. eta vs tors. theta energy: -15.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -191.798451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.798451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.798451 (E_RNA) where: Base-Base interactions energy: -123.213 where: short stacking energy: -50.347 Base-Backbone interact. energy: -0.003 local terms energy: -68.582708 where: bonds (distance) C4'-P energy: -15.293 bonds (distance) P-C4' energy: -15.508 flat angles C4'-P-C4' energy: -13.935 flat angles P-C4'-P energy: -11.471 tors. eta vs tors. theta energy: -12.376 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: 6 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -176.088176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.088176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.088176 (E_RNA) where: Base-Base interactions energy: -111.390 where: short stacking energy: -53.878 Base-Backbone interact. energy: -0.004 local terms energy: -64.694716 where: bonds (distance) C4'-P energy: -10.925 bonds (distance) P-C4' energy: -14.345 flat angles C4'-P-C4' energy: -14.253 flat angles P-C4'-P energy: -10.412 tors. eta vs tors. theta energy: -14.760 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: 6, replica: 9 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -173.318186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.318186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.318186 (E_RNA) where: Base-Base interactions energy: -116.600 where: short stacking energy: -60.401 Base-Backbone interact. energy: -0.023 local terms energy: -56.695224 where: bonds (distance) C4'-P energy: -8.909 bonds (distance) P-C4' energy: -11.951 flat angles C4'-P-C4' energy: -10.366 flat angles P-C4'-P energy: -8.544 tors. eta vs tors. theta energy: -16.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -172.527022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.527022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.527022 (E_RNA) where: Base-Base interactions energy: -108.543 where: short stacking energy: -51.879 Base-Backbone interact. energy: -0.003 local terms energy: -63.981509 where: bonds (distance) C4'-P energy: -13.115 bonds (distance) P-C4' energy: -11.972 flat angles C4'-P-C4' energy: -14.865 flat angles P-C4'-P energy: -12.174 tors. eta vs tors. theta energy: -11.856 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: 5 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -103.914441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.914441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.914441 (E_RNA) where: Base-Base interactions energy: -53.863 where: short stacking energy: -33.371 Base-Backbone interact. energy: 0.783 local terms energy: -50.835105 where: bonds (distance) C4'-P energy: -11.147 bonds (distance) P-C4' energy: -11.274 flat angles C4'-P-C4' energy: -15.153 flat angles P-C4'-P energy: -8.636 tors. eta vs tors. theta energy: -4.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -78.819691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.819691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.819691 (E_RNA) where: Base-Base interactions energy: -39.906 where: short stacking energy: -26.324 Base-Backbone interact. energy: -0.076 local terms energy: -38.837377 where: bonds (distance) C4'-P energy: -9.417 bonds (distance) P-C4' energy: -13.178 flat angles C4'-P-C4' energy: -6.413 flat angles P-C4'-P energy: -10.246 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: 10, replica: 3 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -77.612856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.612856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.612856 (E_RNA) where: Base-Base interactions energy: -22.746 where: short stacking energy: -22.746 Base-Backbone interact. energy: -0.629 local terms energy: -54.237874 where: bonds (distance) C4'-P energy: -15.975 bonds (distance) P-C4' energy: -15.862 flat angles C4'-P-C4' energy: -10.167 flat angles P-C4'-P energy: -10.113 tors. eta vs tors. theta energy: -2.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -211.346718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.346718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.346718 (E_RNA) where: Base-Base interactions energy: -140.077 where: short stacking energy: -58.481 Base-Backbone interact. energy: -0.184 local terms energy: -71.086106 where: bonds (distance) C4'-P energy: -14.240 bonds (distance) P-C4' energy: -15.336 flat angles C4'-P-C4' energy: -14.772 flat angles P-C4'-P energy: -11.166 tors. eta vs tors. theta energy: -15.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -219.039492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.039492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.039492 (E_RNA) where: Base-Base interactions energy: -155.074 where: short stacking energy: -67.387 Base-Backbone interact. energy: -0.091 local terms energy: -63.874913 where: bonds (distance) C4'-P energy: -11.371 bonds (distance) P-C4' energy: -12.579 flat angles C4'-P-C4' energy: -11.679 flat angles P-C4'-P energy: -8.143 tors. eta vs tors. theta energy: -20.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -186.360850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.360850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.360850 (E_RNA) where: Base-Base interactions energy: -117.715 where: short stacking energy: -57.640 Base-Backbone interact. energy: -0.530 local terms energy: -68.115824 where: bonds (distance) C4'-P energy: -14.676 bonds (distance) P-C4' energy: -14.701 flat angles C4'-P-C4' energy: -13.129 flat angles P-C4'-P energy: -11.841 tors. eta vs tors. theta energy: -13.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -187.282876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.282876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.282876 (E_RNA) where: Base-Base interactions energy: -117.934 where: short stacking energy: -50.089 Base-Backbone interact. energy: -0.007 local terms energy: -69.342105 where: bonds (distance) C4'-P energy: -12.503 bonds (distance) P-C4' energy: -16.415 flat angles C4'-P-C4' energy: -14.673 flat angles P-C4'-P energy: -9.085 tors. eta vs tors. theta energy: -16.667 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: 9 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -183.840990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.840990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.840990 (E_RNA) where: Base-Base interactions energy: -120.806 where: short stacking energy: -64.162 Base-Backbone interact. energy: 0.011 local terms energy: -63.045348 where: bonds (distance) C4'-P energy: -11.145 bonds (distance) P-C4' energy: -11.901 flat angles C4'-P-C4' energy: -13.560 flat angles P-C4'-P energy: -11.325 tors. eta vs tors. theta energy: -15.115 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: 6 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -166.276888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.276888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.276888 (E_RNA) where: Base-Base interactions energy: -103.135 where: short stacking energy: -56.979 Base-Backbone interact. energy: -0.112 local terms energy: -63.030208 where: bonds (distance) C4'-P energy: -13.388 bonds (distance) P-C4' energy: -12.253 flat angles C4'-P-C4' energy: -14.794 flat angles P-C4'-P energy: -7.698 tors. eta vs tors. theta energy: -14.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -162.546109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.546109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.546109 (E_RNA) where: Base-Base interactions energy: -105.101 where: short stacking energy: -50.782 Base-Backbone interact. energy: -0.169 local terms energy: -57.275867 where: bonds (distance) C4'-P energy: -11.570 bonds (distance) P-C4' energy: -14.039 flat angles C4'-P-C4' energy: -10.905 flat angles P-C4'-P energy: -9.336 tors. eta vs tors. theta energy: -11.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -102.215789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.215789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.215789 (E_RNA) where: Base-Base interactions energy: -54.957 where: short stacking energy: -28.759 Base-Backbone interact. energy: -0.248 local terms energy: -47.011301 where: bonds (distance) C4'-P energy: -14.634 bonds (distance) P-C4' energy: -10.833 flat angles C4'-P-C4' energy: -9.184 flat angles P-C4'-P energy: -9.580 tors. eta vs tors. theta energy: -2.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -79.470068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.470068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.470068 (E_RNA) where: Base-Base interactions energy: -35.609 where: short stacking energy: -27.417 Base-Backbone interact. energy: 2.051 local terms energy: -45.912088 where: bonds (distance) C4'-P energy: -13.335 bonds (distance) P-C4' energy: -15.785 flat angles C4'-P-C4' energy: -7.426 flat angles P-C4'-P energy: -7.539 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: 3 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -67.696007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.696007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.696007 (E_RNA) where: Base-Base interactions energy: -22.030 where: short stacking energy: -20.450 Base-Backbone interact. energy: -0.611 local terms energy: -45.054465 where: bonds (distance) C4'-P energy: -12.961 bonds (distance) P-C4' energy: -17.069 flat angles C4'-P-C4' energy: -13.787 flat angles P-C4'-P energy: -3.261 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: 1, replica: 2 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -210.465438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.465438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.465438 (E_RNA) where: Base-Base interactions energy: -133.274 where: short stacking energy: -55.913 Base-Backbone interact. energy: -0.003 local terms energy: -77.187986 where: bonds (distance) C4'-P energy: -16.091 bonds (distance) P-C4' energy: -16.477 flat angles C4'-P-C4' energy: -14.345 flat angles P-C4'-P energy: -10.793 tors. eta vs tors. theta energy: -19.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -217.189972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.189972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.189972 (E_RNA) where: Base-Base interactions energy: -151.091 where: short stacking energy: -64.076 Base-Backbone interact. energy: 1.041 local terms energy: -67.140266 where: bonds (distance) C4'-P energy: -13.520 bonds (distance) P-C4' energy: -16.901 flat angles C4'-P-C4' energy: -12.744 flat angles P-C4'-P energy: -6.599 tors. eta vs tors. theta energy: -17.376 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: 8 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -185.344538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.344538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.344538 (E_RNA) where: Base-Base interactions energy: -123.336 where: short stacking energy: -54.932 Base-Backbone interact. energy: -0.407 local terms energy: -61.602302 where: bonds (distance) C4'-P energy: -12.629 bonds (distance) P-C4' energy: -14.324 flat angles C4'-P-C4' energy: -14.933 flat angles P-C4'-P energy: -9.485 tors. eta vs tors. theta energy: -10.231 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: 9 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -176.476958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.476958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.476958 (E_RNA) where: Base-Base interactions energy: -121.779 where: short stacking energy: -64.303 Base-Backbone interact. energy: -0.023 local terms energy: -54.675216 where: bonds (distance) C4'-P energy: -13.156 bonds (distance) P-C4' energy: -10.564 flat angles C4'-P-C4' energy: -7.940 flat angles P-C4'-P energy: -8.408 tors. eta vs tors. theta energy: -14.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -199.466273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.466273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.466273 (E_RNA) where: Base-Base interactions energy: -126.980 where: short stacking energy: -59.024 Base-Backbone interact. energy: -0.228 local terms energy: -72.258037 where: bonds (distance) C4'-P energy: -15.155 bonds (distance) P-C4' energy: -14.698 flat angles C4'-P-C4' energy: -15.206 flat angles P-C4'-P energy: -8.292 tors. eta vs tors. theta energy: -18.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -165.921012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.921012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.921012 (E_RNA) where: Base-Base interactions energy: -106.357 where: short stacking energy: -44.979 Base-Backbone interact. energy: 0.025 local terms energy: -59.588965 where: bonds (distance) C4'-P energy: -12.340 bonds (distance) P-C4' energy: -16.809 flat angles C4'-P-C4' energy: -12.325 flat angles P-C4'-P energy: -6.285 tors. eta vs tors. theta energy: -11.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -175.774664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.774664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.774664 (E_RNA) where: Base-Base interactions energy: -116.367 where: short stacking energy: -44.691 Base-Backbone interact. energy: -0.327 local terms energy: -59.080071 where: bonds (distance) C4'-P energy: -12.174 bonds (distance) P-C4' energy: -14.505 flat angles C4'-P-C4' energy: -14.783 flat angles P-C4'-P energy: -8.019 tors. eta vs tors. theta energy: -9.599 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: 5 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -95.118869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.118869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.118869 (E_RNA) where: Base-Base interactions energy: -41.892 where: short stacking energy: -41.707 Base-Backbone interact. energy: -0.011 local terms energy: -53.215166 where: bonds (distance) C4'-P energy: -10.073 bonds (distance) P-C4' energy: -12.726 flat angles C4'-P-C4' energy: -14.494 flat angles P-C4'-P energy: -3.847 tors. eta vs tors. theta energy: -12.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -79.456491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.456491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.456491 (E_RNA) where: Base-Base interactions energy: -33.018 where: short stacking energy: -16.600 Base-Backbone interact. energy: -0.401 local terms energy: -46.037655 where: bonds (distance) C4'-P energy: -12.385 bonds (distance) P-C4' energy: -17.087 flat angles C4'-P-C4' energy: -11.150 flat angles P-C4'-P energy: -8.815 tors. eta vs tors. theta energy: 3.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -83.285103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.285103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.285103 (E_RNA) where: Base-Base interactions energy: -51.144 where: short stacking energy: -29.686 Base-Backbone interact. energy: -0.410 local terms energy: -31.730949 where: bonds (distance) C4'-P energy: -11.232 bonds (distance) P-C4' energy: -14.588 flat angles C4'-P-C4' energy: -12.732 flat angles P-C4'-P energy: 0.927 tors. eta vs tors. theta energy: 5.895 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: 272 Temperature: 0.900000 Total energy: -223.653842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.653842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.653842 (E_RNA) where: Base-Base interactions energy: -148.840 where: short stacking energy: -70.202 Base-Backbone interact. energy: -0.652 local terms energy: -74.161178 where: bonds (distance) C4'-P energy: -16.977 bonds (distance) P-C4' energy: -13.964 flat angles C4'-P-C4' energy: -14.370 flat angles P-C4'-P energy: -12.595 tors. eta vs tors. theta energy: -16.255 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: 2 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -204.566910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.566910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.566910 (E_RNA) where: Base-Base interactions energy: -136.131 where: short stacking energy: -56.630 Base-Backbone interact. energy: -0.720 local terms energy: -67.716214 where: bonds (distance) C4'-P energy: -15.504 bonds (distance) P-C4' energy: -14.653 flat angles C4'-P-C4' energy: -16.162 flat angles P-C4'-P energy: -7.033 tors. eta vs tors. theta energy: -14.365 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: 8 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -205.258631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.258631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.258631 (E_RNA) where: Base-Base interactions energy: -143.798 where: short stacking energy: -55.523 Base-Backbone interact. energy: -0.639 local terms energy: -60.821504 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -13.455 flat angles C4'-P-C4' energy: -14.870 flat angles P-C4'-P energy: -12.663 tors. eta vs tors. theta energy: -12.470 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: 272 Temperature: 1.050000 Total energy: -182.193874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.193874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.193874 (E_RNA) where: Base-Base interactions energy: -124.695 where: short stacking energy: -37.650 Base-Backbone interact. energy: -0.341 local terms energy: -57.157801 where: bonds (distance) C4'-P energy: -15.433 bonds (distance) P-C4' energy: -10.559 flat angles C4'-P-C4' energy: -13.146 flat angles P-C4'-P energy: -11.567 tors. eta vs tors. theta energy: -6.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -185.219680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.219680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.219680 (E_RNA) where: Base-Base interactions energy: -118.790 where: short stacking energy: -54.947 Base-Backbone interact. energy: -0.225 local terms energy: -66.203973 where: bonds (distance) C4'-P energy: -12.895 bonds (distance) P-C4' energy: -14.879 flat angles C4'-P-C4' energy: -15.225 flat angles P-C4'-P energy: -8.614 tors. eta vs tors. theta energy: -14.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -179.545581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.545581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.545581 (E_RNA) where: Base-Base interactions energy: -118.435 where: short stacking energy: -59.844 Base-Backbone interact. energy: -0.826 local terms energy: -60.285025 where: bonds (distance) C4'-P energy: -13.364 bonds (distance) P-C4' energy: -11.246 flat angles C4'-P-C4' energy: -14.667 flat angles P-C4'-P energy: -6.454 tors. eta vs tors. theta energy: -14.554 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: 7, replica: 6 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -152.720770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.720770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.720770 (E_RNA) where: Base-Base interactions energy: -96.746 where: short stacking energy: -44.241 Base-Backbone interact. energy: -0.013 local terms energy: -55.961235 where: bonds (distance) C4'-P energy: -12.328 bonds (distance) P-C4' energy: -10.871 flat angles C4'-P-C4' energy: -12.921 flat angles P-C4'-P energy: -7.477 tors. eta vs tors. theta energy: -12.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -86.625609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.625609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.625609 (E_RNA) where: Base-Base interactions energy: -33.674 where: short stacking energy: -32.224 Base-Backbone interact. energy: -0.302 local terms energy: -52.649957 where: bonds (distance) C4'-P energy: -9.696 bonds (distance) P-C4' energy: -15.212 flat angles C4'-P-C4' energy: -14.552 flat angles P-C4'-P energy: -11.257 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: 3 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -93.697062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.697062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.697062 (E_RNA) where: Base-Base interactions energy: -45.949 where: short stacking energy: -40.882 Base-Backbone interact. energy: -0.084 local terms energy: -47.663974 where: bonds (distance) C4'-P energy: -11.650 bonds (distance) P-C4' energy: -15.208 flat angles C4'-P-C4' energy: -8.269 flat angles P-C4'-P energy: -8.010 tors. eta vs tors. theta energy: -4.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -73.972164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.972164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.972164 (E_RNA) where: Base-Base interactions energy: -26.115 where: short stacking energy: -26.115 Base-Backbone interact. energy: -0.090 local terms energy: -47.766941 where: bonds (distance) C4'-P energy: -9.575 bonds (distance) P-C4' energy: -16.029 flat angles C4'-P-C4' energy: -10.564 flat angles P-C4'-P energy: -9.735 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: 273 Temperature: 0.900000 Total energy: -225.553624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.553624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.553624 (E_RNA) where: Base-Base interactions energy: -156.628 where: short stacking energy: -62.996 Base-Backbone interact. energy: -0.105 local terms energy: -68.820488 where: bonds (distance) C4'-P energy: -13.611 bonds (distance) P-C4' energy: -13.442 flat angles C4'-P-C4' energy: -16.546 flat angles P-C4'-P energy: -8.688 tors. eta vs tors. theta energy: -16.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -197.821926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.821926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.821926 (E_RNA) where: Base-Base interactions energy: -132.733 where: short stacking energy: -59.553 Base-Backbone interact. energy: -0.023 local terms energy: -65.065939 where: bonds (distance) C4'-P energy: -13.763 bonds (distance) P-C4' energy: -15.251 flat angles C4'-P-C4' energy: -13.833 flat angles P-C4'-P energy: -8.955 tors. eta vs tors. theta energy: -13.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -198.089342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.089342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.089342 (E_RNA) where: Base-Base interactions energy: -131.616 where: short stacking energy: -57.029 Base-Backbone interact. energy: -0.736 local terms energy: -65.737083 where: bonds (distance) C4'-P energy: -13.674 bonds (distance) P-C4' energy: -16.357 flat angles C4'-P-C4' energy: -14.120 flat angles P-C4'-P energy: -8.438 tors. eta vs tors. theta energy: -13.148 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: 4 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -174.163099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.163099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.163099 (E_RNA) where: Base-Base interactions energy: -113.644 where: short stacking energy: -51.945 Base-Backbone interact. energy: -0.181 local terms energy: -60.337273 where: bonds (distance) C4'-P energy: -9.962 bonds (distance) P-C4' energy: -16.149 flat angles C4'-P-C4' energy: -15.695 flat angles P-C4'-P energy: -7.708 tors. eta vs tors. theta energy: -10.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -172.659102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.659102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.659102 (E_RNA) where: Base-Base interactions energy: -124.643 where: short stacking energy: -40.034 Base-Backbone interact. energy: -0.363 local terms energy: -47.653278 where: bonds (distance) C4'-P energy: -16.009 bonds (distance) P-C4' energy: -13.959 flat angles C4'-P-C4' energy: -14.845 flat angles P-C4'-P energy: -4.838 tors. eta vs tors. theta energy: 1.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -165.175698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.175698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.175698 (E_RNA) where: Base-Base interactions energy: -110.495 where: short stacking energy: -49.361 Base-Backbone interact. energy: -0.046 local terms energy: -54.634714 where: bonds (distance) C4'-P energy: -11.438 bonds (distance) P-C4' energy: -13.198 flat angles C4'-P-C4' energy: -8.744 flat angles P-C4'-P energy: -11.240 tors. eta vs tors. theta energy: -10.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -166.079744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.079744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.079744 (E_RNA) where: Base-Base interactions energy: -107.605 where: short stacking energy: -31.035 Base-Backbone interact. energy: 0.314 local terms energy: -58.788192 where: bonds (distance) C4'-P energy: -13.272 bonds (distance) P-C4' energy: -15.400 flat angles C4'-P-C4' energy: -12.450 flat angles P-C4'-P energy: -9.548 tors. eta vs tors. theta energy: -8.118 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: 3 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -91.020366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.020366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.020366 (E_RNA) where: Base-Base interactions energy: -46.654 where: short stacking energy: -25.404 Base-Backbone interact. energy: -0.314 local terms energy: -44.053084 where: bonds (distance) C4'-P energy: -10.974 bonds (distance) P-C4' energy: -14.088 flat angles C4'-P-C4' energy: -8.688 flat angles P-C4'-P energy: -7.950 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: 9, replica: 5 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -90.456044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.456044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.456044 (E_RNA) where: Base-Base interactions energy: -31.661 where: short stacking energy: -31.482 Base-Backbone interact. energy: -0.271 local terms energy: -58.523869 where: bonds (distance) C4'-P energy: -14.965 bonds (distance) P-C4' energy: -16.428 flat angles C4'-P-C4' energy: -14.161 flat angles P-C4'-P energy: -6.217 tors. eta vs tors. theta energy: -6.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -77.936820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.936820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.936820 (E_RNA) where: Base-Base interactions energy: -36.379 where: short stacking energy: -32.198 Base-Backbone interact. energy: -0.073 local terms energy: -41.484199 where: bonds (distance) C4'-P energy: -10.192 bonds (distance) P-C4' energy: -7.743 flat angles C4'-P-C4' energy: -10.634 flat angles P-C4'-P energy: -8.935 tors. eta vs tors. theta energy: -3.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -216.040636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.040636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.040636 (E_RNA) where: Base-Base interactions energy: -147.497 where: short stacking energy: -68.553 Base-Backbone interact. energy: 2.466 local terms energy: -71.009838 where: bonds (distance) C4'-P energy: -16.411 bonds (distance) P-C4' energy: -13.955 flat angles C4'-P-C4' energy: -14.630 flat angles P-C4'-P energy: -12.044 tors. eta vs tors. theta energy: -13.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -197.672614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.672614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.672614 (E_RNA) where: Base-Base interactions energy: -128.346 where: short stacking energy: -60.403 Base-Backbone interact. energy: -0.012 local terms energy: -69.314649 where: bonds (distance) C4'-P energy: -13.876 bonds (distance) P-C4' energy: -15.060 flat angles C4'-P-C4' energy: -16.568 flat angles P-C4'-P energy: -9.873 tors. eta vs tors. theta energy: -13.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -197.108635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.108635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.108635 (E_RNA) where: Base-Base interactions energy: -137.929 where: short stacking energy: -52.486 Base-Backbone interact. energy: -1.173 local terms energy: -58.007010 where: bonds (distance) C4'-P energy: -15.317 bonds (distance) P-C4' energy: -13.051 flat angles C4'-P-C4' energy: -10.059 flat angles P-C4'-P energy: -8.566 tors. eta vs tors. theta energy: -11.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -191.660811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.660811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.660811 (E_RNA) where: Base-Base interactions energy: -137.514 where: short stacking energy: -60.769 Base-Backbone interact. energy: 1.114 local terms energy: -55.260886 where: bonds (distance) C4'-P energy: -14.365 bonds (distance) P-C4' energy: -12.752 flat angles C4'-P-C4' energy: -12.243 flat angles P-C4'-P energy: -6.547 tors. eta vs tors. theta energy: -9.353 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: 6 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -170.466844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.466844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.466844 (E_RNA) where: Base-Base interactions energy: -110.983 where: short stacking energy: -51.088 Base-Backbone interact. energy: -0.029 local terms energy: -59.455011 where: bonds (distance) C4'-P energy: -12.571 bonds (distance) P-C4' energy: -14.191 flat angles C4'-P-C4' energy: -14.682 flat angles P-C4'-P energy: -8.286 tors. eta vs tors. theta energy: -9.724 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: 9 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -162.436639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.436639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.436639 (E_RNA) where: Base-Base interactions energy: -109.544 where: short stacking energy: -45.635 Base-Backbone interact. energy: -0.788 local terms energy: -52.104403 where: bonds (distance) C4'-P energy: -7.237 bonds (distance) P-C4' energy: -16.629 flat angles C4'-P-C4' energy: -13.513 flat angles P-C4'-P energy: -9.965 tors. eta vs tors. theta energy: -4.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -165.672315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.672315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.672315 (E_RNA) where: Base-Base interactions energy: -103.240 where: short stacking energy: -49.210 Base-Backbone interact. energy: -0.013 local terms energy: -62.419822 where: bonds (distance) C4'-P energy: -12.247 bonds (distance) P-C4' energy: -14.987 flat angles C4'-P-C4' energy: -13.533 flat angles P-C4'-P energy: -9.602 tors. eta vs tors. theta energy: -12.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -90.309689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.309689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.309689 (E_RNA) where: Base-Base interactions energy: -40.751 where: short stacking energy: -31.887 Base-Backbone interact. energy: -0.151 local terms energy: -49.407920 where: bonds (distance) C4'-P energy: -11.756 bonds (distance) P-C4' energy: -16.572 flat angles C4'-P-C4' energy: -12.407 flat angles P-C4'-P energy: -4.142 tors. eta vs tors. theta energy: -4.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -93.724113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.724113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.724113 (E_RNA) where: Base-Base interactions energy: -45.937 where: short stacking energy: -32.222 Base-Backbone interact. energy: -0.072 local terms energy: -47.715579 where: bonds (distance) C4'-P energy: -9.989 bonds (distance) P-C4' energy: -12.096 flat angles C4'-P-C4' energy: -14.578 flat angles P-C4'-P energy: -9.626 tors. eta vs tors. theta energy: -1.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -78.328027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.328027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.328027 (E_RNA) where: Base-Base interactions energy: -32.864 where: short stacking energy: -31.092 Base-Backbone interact. energy: 2.211 local terms energy: -47.675544 where: bonds (distance) C4'-P energy: -8.639 bonds (distance) P-C4' energy: -11.166 flat angles C4'-P-C4' energy: -13.519 flat angles P-C4'-P energy: -6.880 tors. eta vs tors. theta energy: -7.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -217.714104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.714104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.714104 (E_RNA) where: Base-Base interactions energy: -152.453 where: short stacking energy: -70.324 Base-Backbone interact. energy: 0.004 local terms energy: -65.264986 where: bonds (distance) C4'-P energy: -14.750 bonds (distance) P-C4' energy: -11.650 flat angles C4'-P-C4' energy: -12.469 flat angles P-C4'-P energy: -9.366 tors. eta vs tors. theta energy: -17.030 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: 8 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -204.100989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.100989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.100989 (E_RNA) where: Base-Base interactions energy: -139.603 where: short stacking energy: -60.811 Base-Backbone interact. energy: -0.030 local terms energy: -64.468052 where: bonds (distance) C4'-P energy: -14.605 bonds (distance) P-C4' energy: -9.918 flat angles C4'-P-C4' energy: -15.621 flat angles P-C4'-P energy: -9.793 tors. eta vs tors. theta energy: -14.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -191.500086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.500086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.500086 (E_RNA) where: Base-Base interactions energy: -130.356 where: short stacking energy: -53.748 Base-Backbone interact. energy: 0.058 local terms energy: -61.201997 where: bonds (distance) C4'-P energy: -12.750 bonds (distance) P-C4' energy: -15.268 flat angles C4'-P-C4' energy: -11.272 flat angles P-C4'-P energy: -7.090 tors. eta vs tors. theta energy: -14.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -184.242924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.242924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.242924 (E_RNA) where: Base-Base interactions energy: -125.091 where: short stacking energy: -58.572 Base-Backbone interact. energy: -0.004 local terms energy: -59.148138 where: bonds (distance) C4'-P energy: -13.934 bonds (distance) P-C4' energy: -10.812 flat angles C4'-P-C4' energy: -12.894 flat angles P-C4'-P energy: -10.356 tors. eta vs tors. theta energy: -11.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -173.887749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.887749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.887749 (E_RNA) where: Base-Base interactions energy: -107.973 where: short stacking energy: -51.034 Base-Backbone interact. energy: -0.001 local terms energy: -65.913958 where: bonds (distance) C4'-P energy: -14.112 bonds (distance) P-C4' energy: -14.695 flat angles C4'-P-C4' energy: -11.420 flat angles P-C4'-P energy: -12.908 tors. eta vs tors. theta energy: -12.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -177.291789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.291789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.291789 (E_RNA) where: Base-Base interactions energy: -122.697 where: short stacking energy: -49.792 Base-Backbone interact. energy: 0.211 local terms energy: -54.805993 where: bonds (distance) C4'-P energy: -11.003 bonds (distance) P-C4' energy: -11.806 flat angles C4'-P-C4' energy: -13.626 flat angles P-C4'-P energy: -7.875 tors. eta vs tors. theta energy: -10.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -152.035631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.035631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.035631 (E_RNA) where: Base-Base interactions energy: -102.138 where: short stacking energy: -43.529 Base-Backbone interact. energy: -0.347 local terms energy: -49.551225 where: bonds (distance) C4'-P energy: -1.778 bonds (distance) P-C4' energy: -15.470 flat angles C4'-P-C4' energy: -13.603 flat angles P-C4'-P energy: -6.792 tors. eta vs tors. theta energy: -11.908 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: 8, replica: 1 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -80.416099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.416099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.416099 (E_RNA) where: Base-Base interactions energy: -40.027 where: short stacking energy: -30.273 Base-Backbone interact. energy: -0.351 local terms energy: -40.037892 where: bonds (distance) C4'-P energy: -10.808 bonds (distance) P-C4' energy: -14.216 flat angles C4'-P-C4' energy: -11.232 flat angles P-C4'-P energy: -5.150 tors. eta vs tors. theta energy: 1.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -79.425891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.425891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.425891 (E_RNA) where: Base-Base interactions energy: -31.081 where: short stacking energy: -31.081 Base-Backbone interact. energy: -0.157 local terms energy: -48.188082 where: bonds (distance) C4'-P energy: -14.937 bonds (distance) P-C4' energy: -15.288 flat angles C4'-P-C4' energy: -10.167 flat angles P-C4'-P energy: -1.860 tors. eta vs tors. theta energy: -5.937 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: 5 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -77.029155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.029155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.029155 (E_RNA) where: Base-Base interactions energy: -29.828 where: short stacking energy: -25.288 Base-Backbone interact. energy: -0.142 local terms energy: -47.059585 where: bonds (distance) C4'-P energy: -12.051 bonds (distance) P-C4' energy: -12.891 flat angles C4'-P-C4' energy: -10.270 flat angles P-C4'-P energy: -6.567 tors. eta vs tors. theta energy: -5.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -219.563962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.563962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.563962 (E_RNA) where: Base-Base interactions energy: -151.976 where: short stacking energy: -61.784 Base-Backbone interact. energy: -0.184 local terms energy: -67.404301 where: bonds (distance) C4'-P energy: -13.326 bonds (distance) P-C4' energy: -15.145 flat angles C4'-P-C4' energy: -15.528 flat angles P-C4'-P energy: -5.826 tors. eta vs tors. theta energy: -17.578 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: 2, replica: 10 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -215.410982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.410982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.410982 (E_RNA) where: Base-Base interactions energy: -142.357 where: short stacking energy: -53.070 Base-Backbone interact. energy: -0.070 local terms energy: -72.984187 where: bonds (distance) C4'-P energy: -15.660 bonds (distance) P-C4' energy: -14.821 flat angles C4'-P-C4' energy: -14.023 flat angles P-C4'-P energy: -13.509 tors. eta vs tors. theta energy: -14.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -199.091894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.091894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.091894 (E_RNA) where: Base-Base interactions energy: -134.253 where: short stacking energy: -48.657 Base-Backbone interact. energy: -0.448 local terms energy: -64.391623 where: bonds (distance) C4'-P energy: -15.996 bonds (distance) P-C4' energy: -14.714 flat angles C4'-P-C4' energy: -9.981 flat angles P-C4'-P energy: -9.847 tors. eta vs tors. theta energy: -13.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -193.287896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.287896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.287896 (E_RNA) where: Base-Base interactions energy: -126.331 where: short stacking energy: -56.776 Base-Backbone interact. energy: -0.260 local terms energy: -66.697387 where: bonds (distance) C4'-P energy: -11.740 bonds (distance) P-C4' energy: -15.591 flat angles C4'-P-C4' energy: -14.453 flat angles P-C4'-P energy: -9.813 tors. eta vs tors. theta energy: -15.101 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: 5, replica: 7 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -178.508673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.508673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.508673 (E_RNA) where: Base-Base interactions energy: -122.258 where: short stacking energy: -58.291 Base-Backbone interact. energy: -0.150 local terms energy: -56.101171 where: bonds (distance) C4'-P energy: -14.331 bonds (distance) P-C4' energy: -12.220 flat angles C4'-P-C4' energy: -7.004 flat angles P-C4'-P energy: -7.119 tors. eta vs tors. theta energy: -15.427 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: 6 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -173.136003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.136003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.136003 (E_RNA) where: Base-Base interactions energy: -106.241 where: short stacking energy: -46.447 Base-Backbone interact. energy: -0.115 local terms energy: -66.779998 where: bonds (distance) C4'-P energy: -16.348 bonds (distance) P-C4' energy: -14.892 flat angles C4'-P-C4' energy: -9.650 flat angles P-C4'-P energy: -12.892 tors. eta vs tors. theta energy: -12.997 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: 276 Temperature: 1.200000 Total energy: -172.736049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.736049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.736049 (E_RNA) where: Base-Base interactions energy: -106.565 where: short stacking energy: -46.310 Base-Backbone interact. energy: -0.219 local terms energy: -65.952432 where: bonds (distance) C4'-P energy: -12.659 bonds (distance) P-C4' energy: -15.428 flat angles C4'-P-C4' energy: -17.794 flat angles P-C4'-P energy: -9.780 tors. eta vs tors. theta energy: -10.291 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: 1 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -89.485525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.485525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.485525 (E_RNA) where: Base-Base interactions energy: -41.568 where: short stacking energy: -37.831 Base-Backbone interact. energy: 0.054 local terms energy: -47.972300 where: bonds (distance) C4'-P energy: -13.753 bonds (distance) P-C4' energy: -10.476 flat angles C4'-P-C4' energy: -11.297 flat angles P-C4'-P energy: -7.967 tors. eta vs tors. theta energy: -4.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -79.556416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.556416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.556416 (E_RNA) where: Base-Base interactions energy: -33.255 where: short stacking energy: -24.459 Base-Backbone interact. energy: -0.435 local terms energy: -45.866751 where: bonds (distance) C4'-P energy: -11.616 bonds (distance) P-C4' energy: -14.244 flat angles C4'-P-C4' energy: -12.495 flat angles P-C4'-P energy: -5.688 tors. eta vs tors. theta energy: -1.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -68.979644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.979644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.979644 (E_RNA) where: Base-Base interactions energy: -35.641 where: short stacking energy: -31.612 Base-Backbone interact. energy: 0.715 local terms energy: -34.053932 where: bonds (distance) C4'-P energy: -11.438 bonds (distance) P-C4' energy: -11.656 flat angles C4'-P-C4' energy: -4.280 flat angles P-C4'-P energy: -6.593 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: 8 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -217.614411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.614411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.614411 (E_RNA) where: Base-Base interactions energy: -149.466 where: short stacking energy: -61.329 Base-Backbone interact. energy: -0.307 local terms energy: -67.841475 where: bonds (distance) C4'-P energy: -11.392 bonds (distance) P-C4' energy: -16.379 flat angles C4'-P-C4' energy: -14.214 flat angles P-C4'-P energy: -9.138 tors. eta vs tors. theta energy: -16.718 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: 10 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -212.590888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.590888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.590888 (E_RNA) where: Base-Base interactions energy: -146.466 where: short stacking energy: -65.178 Base-Backbone interact. energy: -0.700 local terms energy: -65.425233 where: bonds (distance) C4'-P energy: -10.816 bonds (distance) P-C4' energy: -13.863 flat angles C4'-P-C4' energy: -15.223 flat angles P-C4'-P energy: -9.339 tors. eta vs tors. theta energy: -16.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -208.837711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.837711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.837711 (E_RNA) where: Base-Base interactions energy: -145.547 where: short stacking energy: -52.850 Base-Backbone interact. energy: -0.188 local terms energy: -63.102511 where: bonds (distance) C4'-P energy: -11.598 bonds (distance) P-C4' energy: -13.643 flat angles C4'-P-C4' energy: -14.090 flat angles P-C4'-P energy: -7.673 tors. eta vs tors. theta energy: -16.099 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: 7 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -182.262133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.262133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.262133 (E_RNA) where: Base-Base interactions energy: -116.195 where: short stacking energy: -56.689 Base-Backbone interact. energy: -0.189 local terms energy: -65.877447 where: bonds (distance) C4'-P energy: -15.044 bonds (distance) P-C4' energy: -13.457 flat angles C4'-P-C4' energy: -12.958 flat angles P-C4'-P energy: -8.263 tors. eta vs tors. theta energy: -16.155 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: 4 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -190.490006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.490006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.490006 (E_RNA) where: Base-Base interactions energy: -121.950 where: short stacking energy: -51.103 Base-Backbone interact. energy: -0.002 local terms energy: -68.537512 where: bonds (distance) C4'-P energy: -16.233 bonds (distance) P-C4' energy: -15.715 flat angles C4'-P-C4' energy: -14.102 flat angles P-C4'-P energy: -8.586 tors. eta vs tors. theta energy: -13.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -168.616231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.616231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.616231 (E_RNA) where: Base-Base interactions energy: -111.089 where: short stacking energy: -49.100 Base-Backbone interact. energy: -0.100 local terms energy: -57.427254 where: bonds (distance) C4'-P energy: -12.974 bonds (distance) P-C4' energy: -12.118 flat angles C4'-P-C4' energy: -15.069 flat angles P-C4'-P energy: -5.270 tors. eta vs tors. theta energy: -11.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -170.608388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.608388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.608388 (E_RNA) where: Base-Base interactions energy: -115.279 where: short stacking energy: -46.510 Base-Backbone interact. energy: -0.001 local terms energy: -55.327721 where: bonds (distance) C4'-P energy: -11.251 bonds (distance) P-C4' energy: -10.793 flat angles C4'-P-C4' energy: -12.614 flat angles P-C4'-P energy: -7.132 tors. eta vs tors. theta energy: -13.537 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: 277 Temperature: 1.250000 Total energy: -90.645442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.645442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.645442 (E_RNA) where: Base-Base interactions energy: -41.278 where: short stacking energy: -34.456 Base-Backbone interact. energy: -0.080 local terms energy: -49.287454 where: bonds (distance) C4'-P energy: -8.507 bonds (distance) P-C4' energy: -12.785 flat angles C4'-P-C4' energy: -15.351 flat angles P-C4'-P energy: -9.113 tors. eta vs tors. theta energy: -3.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -74.653001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.653001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.653001 (E_RNA) where: Base-Base interactions energy: -30.231 where: short stacking energy: -23.392 Base-Backbone interact. energy: -0.055 local terms energy: -44.366992 where: bonds (distance) C4'-P energy: -10.855 bonds (distance) P-C4' energy: -14.147 flat angles C4'-P-C4' energy: -11.180 flat angles P-C4'-P energy: -8.637 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: 10, replica: 5 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -73.231943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.231943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.231943 (E_RNA) where: Base-Base interactions energy: -22.315 where: short stacking energy: -22.315 Base-Backbone interact. energy: -0.019 local terms energy: -50.897615 where: bonds (distance) C4'-P energy: -14.314 bonds (distance) P-C4' energy: -13.251 flat angles C4'-P-C4' energy: -13.265 flat angles P-C4'-P energy: -7.544 tors. eta vs tors. theta energy: -2.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -223.405669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.405669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.405669 (E_RNA) where: Base-Base interactions energy: -149.492 where: short stacking energy: -62.070 Base-Backbone interact. energy: -0.410 local terms energy: -73.504260 where: bonds (distance) C4'-P energy: -16.195 bonds (distance) P-C4' energy: -15.920 flat angles C4'-P-C4' energy: -15.942 flat angles P-C4'-P energy: -8.658 tors. eta vs tors. theta energy: -16.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -218.131610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.131610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.131610 (E_RNA) where: Base-Base interactions energy: -149.731 where: short stacking energy: -66.498 Base-Backbone interact. energy: -0.107 local terms energy: -68.292907 where: bonds (distance) C4'-P energy: -10.013 bonds (distance) P-C4' energy: -15.680 flat angles C4'-P-C4' energy: -18.911 flat angles P-C4'-P energy: -3.446 tors. eta vs tors. theta energy: -20.243 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: 2 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -206.092588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.092588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.092588 (E_RNA) where: Base-Base interactions energy: -142.228 where: short stacking energy: -51.922 Base-Backbone interact. energy: -0.223 local terms energy: -63.641400 where: bonds (distance) C4'-P energy: -12.779 bonds (distance) P-C4' energy: -13.381 flat angles C4'-P-C4' energy: -14.348 flat angles P-C4'-P energy: -5.281 tors. eta vs tors. theta energy: -17.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -191.631161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.631161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.631161 (E_RNA) where: Base-Base interactions energy: -122.495 where: short stacking energy: -63.829 Base-Backbone interact. energy: -0.052 local terms energy: -69.084568 where: bonds (distance) C4'-P energy: -13.611 bonds (distance) P-C4' energy: -14.809 flat angles C4'-P-C4' energy: -14.746 flat angles P-C4'-P energy: -12.825 tors. eta vs tors. theta energy: -13.093 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: 278 Temperature: 1.100000 Total energy: -185.970167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.970167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.970167 (E_RNA) where: Base-Base interactions energy: -120.349 where: short stacking energy: -45.839 Base-Backbone interact. energy: -0.057 local terms energy: -65.563484 where: bonds (distance) C4'-P energy: -15.040 bonds (distance) P-C4' energy: -15.569 flat angles C4'-P-C4' energy: -14.961 flat angles P-C4'-P energy: -9.225 tors. eta vs tors. theta energy: -10.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -191.222331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.222331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.222331 (E_RNA) where: Base-Base interactions energy: -133.737 where: short stacking energy: -52.761 Base-Backbone interact. energy: 0.068 local terms energy: -57.553183 where: bonds (distance) C4'-P energy: -9.831 bonds (distance) P-C4' energy: -13.831 flat angles C4'-P-C4' energy: -12.396 flat angles P-C4'-P energy: -9.848 tors. eta vs tors. theta energy: -11.647 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: 6 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -180.350314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.350314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.350314 (E_RNA) where: Base-Base interactions energy: -122.477 where: short stacking energy: -45.052 Base-Backbone interact. energy: -0.458 local terms energy: -57.415536 where: bonds (distance) C4'-P energy: -13.557 bonds (distance) P-C4' energy: -11.874 flat angles C4'-P-C4' energy: -15.228 flat angles P-C4'-P energy: -2.806 tors. eta vs tors. theta energy: -13.951 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: 8, replica: 1 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -122.264007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.264007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.264007 (E_RNA) where: Base-Base interactions energy: -71.129 where: short stacking energy: -24.801 Base-Backbone interact. energy: -0.233 local terms energy: -50.902116 where: bonds (distance) C4'-P energy: -15.198 bonds (distance) P-C4' energy: -11.113 flat angles C4'-P-C4' energy: -9.806 flat angles P-C4'-P energy: -8.953 tors. eta vs tors. theta energy: -5.832 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: 278 Temperature: 1.300000 Total energy: -93.228562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.228562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.228562 (E_RNA) where: Base-Base interactions energy: -46.296 where: short stacking energy: -46.296 Base-Backbone interact. energy: 1.880 local terms energy: -48.812352 where: bonds (distance) C4'-P energy: -8.362 bonds (distance) P-C4' energy: -15.677 flat angles C4'-P-C4' energy: -8.038 flat angles P-C4'-P energy: -6.230 tors. eta vs tors. theta energy: -10.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -70.791221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.791221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.791221 (E_RNA) where: Base-Base interactions energy: -29.030 where: short stacking energy: -25.922 Base-Backbone interact. energy: -0.244 local terms energy: -41.517451 where: bonds (distance) C4'-P energy: -7.024 bonds (distance) P-C4' energy: -15.190 flat angles C4'-P-C4' energy: -13.764 flat angles P-C4'-P energy: -7.451 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: 1, replica: 8 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -218.603258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.603258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.603258 (E_RNA) where: Base-Base interactions energy: -151.267 where: short stacking energy: -58.895 Base-Backbone interact. energy: -0.668 local terms energy: -66.668920 where: bonds (distance) C4'-P energy: -14.563 bonds (distance) P-C4' energy: -16.699 flat angles C4'-P-C4' energy: -12.807 flat angles P-C4'-P energy: -5.301 tors. eta vs tors. theta energy: -17.299 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: 2 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -209.184386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.184386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.184386 (E_RNA) where: Base-Base interactions energy: -140.894 where: short stacking energy: -56.312 Base-Backbone interact. energy: -0.190 local terms energy: -68.100251 where: bonds (distance) C4'-P energy: -15.884 bonds (distance) P-C4' energy: -13.982 flat angles C4'-P-C4' energy: -14.696 flat angles P-C4'-P energy: -10.659 tors. eta vs tors. theta energy: -12.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -204.283324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.283324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.283324 (E_RNA) where: Base-Base interactions energy: -143.253 where: short stacking energy: -56.714 Base-Backbone interact. energy: -0.071 local terms energy: -60.958409 where: bonds (distance) C4'-P energy: -11.425 bonds (distance) P-C4' energy: -11.891 flat angles C4'-P-C4' energy: -16.540 flat angles P-C4'-P energy: -8.493 tors. eta vs tors. theta energy: -12.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -186.961365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.961365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.961365 (E_RNA) where: Base-Base interactions energy: -122.097 where: short stacking energy: -53.544 Base-Backbone interact. energy: 1.694 local terms energy: -66.558025 where: bonds (distance) C4'-P energy: -13.387 bonds (distance) P-C4' energy: -12.293 flat angles C4'-P-C4' energy: -14.561 flat angles P-C4'-P energy: -12.445 tors. eta vs tors. theta energy: -13.872 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: 5, replica: 7 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -196.276240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.276240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.276240 (E_RNA) where: Base-Base interactions energy: -132.633 where: short stacking energy: -66.994 Base-Backbone interact. energy: -0.008 local terms energy: -63.634656 where: bonds (distance) C4'-P energy: -13.258 bonds (distance) P-C4' energy: -12.303 flat angles C4'-P-C4' energy: -12.505 flat angles P-C4'-P energy: -9.805 tors. eta vs tors. theta energy: -15.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -188.090848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.090848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.090848 (E_RNA) where: Base-Base interactions energy: -127.929 where: short stacking energy: -53.739 Base-Backbone interact. energy: -0.161 local terms energy: -60.001180 where: bonds (distance) C4'-P energy: -12.617 bonds (distance) P-C4' energy: -12.758 flat angles C4'-P-C4' energy: -12.681 flat angles P-C4'-P energy: -10.230 tors. eta vs tors. theta energy: -11.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -174.225139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.225139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.225139 (E_RNA) where: Base-Base interactions energy: -114.966 where: short stacking energy: -57.726 Base-Backbone interact. energy: -0.229 local terms energy: -59.029714 where: bonds (distance) C4'-P energy: -11.010 bonds (distance) P-C4' energy: -10.575 flat angles C4'-P-C4' energy: -13.226 flat angles P-C4'-P energy: -9.499 tors. eta vs tors. theta energy: -14.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -146.495599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.495599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.495599 (E_RNA) where: Base-Base interactions energy: -82.948 where: short stacking energy: -35.800 Base-Backbone interact. energy: -0.016 local terms energy: -63.531836 where: bonds (distance) C4'-P energy: -13.177 bonds (distance) P-C4' energy: -16.517 flat angles C4'-P-C4' energy: -12.264 flat angles P-C4'-P energy: -9.808 tors. eta vs tors. theta energy: -11.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -82.721323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.721323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.721323 (E_RNA) where: Base-Base interactions energy: -35.479 where: short stacking energy: -34.144 Base-Backbone interact. energy: 0.243 local terms energy: -47.485109 where: bonds (distance) C4'-P energy: -11.624 bonds (distance) P-C4' energy: -13.067 flat angles C4'-P-C4' energy: -11.806 flat angles P-C4'-P energy: -8.692 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: 279 Temperature: 1.350000 Total energy: -85.321005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.321005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.321005 (E_RNA) where: Base-Base interactions energy: -34.010 where: short stacking energy: -28.857 Base-Backbone interact. energy: -0.093 local terms energy: -51.217612 where: bonds (distance) C4'-P energy: -10.930 bonds (distance) P-C4' energy: -13.515 flat angles C4'-P-C4' energy: -14.456 flat angles P-C4'-P energy: -7.413 tors. eta vs tors. theta energy: -4.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -217.148659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.148659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.148659 (E_RNA) where: Base-Base interactions energy: -151.164 where: short stacking energy: -62.217 Base-Backbone interact. energy: -0.040 local terms energy: -65.944498 where: bonds (distance) C4'-P energy: -14.576 bonds (distance) P-C4' energy: -12.017 flat angles C4'-P-C4' energy: -14.041 flat angles P-C4'-P energy: -8.930 tors. eta vs tors. theta energy: -16.380 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: 280 Temperature: 0.950000 Total energy: -200.184406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.184406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.184406 (E_RNA) where: Base-Base interactions energy: -135.844 where: short stacking energy: -61.025 Base-Backbone interact. energy: -0.896 local terms energy: -63.444347 where: bonds (distance) C4'-P energy: -8.532 bonds (distance) P-C4' energy: -15.557 flat angles C4'-P-C4' energy: -16.356 flat angles P-C4'-P energy: -11.460 tors. eta vs tors. theta energy: -11.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -195.379751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.379751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.379751 (E_RNA) where: Base-Base interactions energy: -128.744 where: short stacking energy: -52.783 Base-Backbone interact. energy: -0.005 local terms energy: -66.630487 where: bonds (distance) C4'-P energy: -15.735 bonds (distance) P-C4' energy: -17.821 flat angles C4'-P-C4' energy: -9.992 flat angles P-C4'-P energy: -11.163 tors. eta vs tors. theta energy: -11.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -211.566711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.566711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.566711 (E_RNA) where: Base-Base interactions energy: -146.836 where: short stacking energy: -65.145 Base-Backbone interact. energy: -0.016 local terms energy: -64.714261 where: bonds (distance) C4'-P energy: -15.368 bonds (distance) P-C4' energy: -12.848 flat angles C4'-P-C4' energy: -14.742 flat angles P-C4'-P energy: -7.567 tors. eta vs tors. theta energy: -14.189 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: 7 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -188.673669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.673669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.673669 (E_RNA) where: Base-Base interactions energy: -119.538 where: short stacking energy: -56.774 Base-Backbone interact. energy: -0.130 local terms energy: -69.005826 where: bonds (distance) C4'-P energy: -14.316 bonds (distance) P-C4' energy: -14.908 flat angles C4'-P-C4' energy: -15.572 flat angles P-C4'-P energy: -9.957 tors. eta vs tors. theta energy: -14.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -178.322511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.322511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.322511 (E_RNA) where: Base-Base interactions energy: -122.544 where: short stacking energy: -49.394 Base-Backbone interact. energy: -0.399 local terms energy: -55.379830 where: bonds (distance) C4'-P energy: -11.764 bonds (distance) P-C4' energy: -15.136 flat angles C4'-P-C4' energy: -12.454 flat angles P-C4'-P energy: -6.878 tors. eta vs tors. theta energy: -9.147 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: 7, replica: 4 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -170.370954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.370954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.370954 (E_RNA) where: Base-Base interactions energy: -107.497 where: short stacking energy: -41.049 Base-Backbone interact. energy: -0.341 local terms energy: -62.532747 where: bonds (distance) C4'-P energy: -14.543 bonds (distance) P-C4' energy: -12.473 flat angles C4'-P-C4' energy: -15.353 flat angles P-C4'-P energy: -11.602 tors. eta vs tors. theta energy: -8.561 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: 1 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -127.949606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.949606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.949606 (E_RNA) where: Base-Base interactions energy: -70.840 where: short stacking energy: -39.801 Base-Backbone interact. energy: 0.035 local terms energy: -57.144629 where: bonds (distance) C4'-P energy: -16.961 bonds (distance) P-C4' energy: -14.557 flat angles C4'-P-C4' energy: -13.546 flat angles P-C4'-P energy: -6.899 tors. eta vs tors. theta energy: -5.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -79.178752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.178752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.178752 (E_RNA) where: Base-Base interactions energy: -34.862 where: short stacking energy: -18.334 Base-Backbone interact. energy: 0.782 local terms energy: -45.098884 where: bonds (distance) C4'-P energy: -12.978 bonds (distance) P-C4' energy: -16.146 flat angles C4'-P-C4' energy: -10.542 flat angles P-C4'-P energy: -9.846 tors. eta vs tors. theta energy: 4.413 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: 280 Temperature: 1.350000 Total energy: -73.775461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.775461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.775461 (E_RNA) where: Base-Base interactions energy: -24.183 where: short stacking energy: -24.183 Base-Backbone interact. energy: -0.042 local terms energy: -49.550826 where: bonds (distance) C4'-P energy: -8.067 bonds (distance) P-C4' energy: -14.342 flat angles C4'-P-C4' energy: -15.234 flat angles P-C4'-P energy: -9.418 tors. eta vs tors. theta energy: -2.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -217.572678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.572678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.572678 (E_RNA) where: Base-Base interactions energy: -151.456 where: short stacking energy: -60.983 Base-Backbone interact. energy: -0.324 local terms energy: -65.792269 where: bonds (distance) C4'-P energy: -14.990 bonds (distance) P-C4' energy: -14.739 flat angles C4'-P-C4' energy: -16.607 flat angles P-C4'-P energy: -6.110 tors. eta vs tors. theta energy: -13.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -193.604140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.604140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.604140 (E_RNA) where: Base-Base interactions energy: -129.013 where: short stacking energy: -55.291 Base-Backbone interact. energy: -0.003 local terms energy: -64.587863 where: bonds (distance) C4'-P energy: -13.442 bonds (distance) P-C4' energy: -14.437 flat angles C4'-P-C4' energy: -15.241 flat angles P-C4'-P energy: -8.540 tors. eta vs tors. theta energy: -12.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -202.116908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.116908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.116908 (E_RNA) where: Base-Base interactions energy: -146.516 where: short stacking energy: -64.831 Base-Backbone interact. energy: -0.315 local terms energy: -55.285654 where: bonds (distance) C4'-P energy: -13.020 bonds (distance) P-C4' energy: -10.966 flat angles C4'-P-C4' energy: -9.323 flat angles P-C4'-P energy: -2.454 tors. eta vs tors. theta energy: -19.523 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: 4, replica: 10 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -210.727394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.727394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.727394 (E_RNA) where: Base-Base interactions energy: -142.878 where: short stacking energy: -59.035 Base-Backbone interact. energy: -0.127 local terms energy: -67.722596 where: bonds (distance) C4'-P energy: -10.974 bonds (distance) P-C4' energy: -16.840 flat angles C4'-P-C4' energy: -14.572 flat angles P-C4'-P energy: -9.263 tors. eta vs tors. theta energy: -16.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -179.884486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.884486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.884486 (E_RNA) where: Base-Base interactions energy: -116.513 where: short stacking energy: -56.664 Base-Backbone interact. energy: -0.090 local terms energy: -63.281431 where: bonds (distance) C4'-P energy: -9.290 bonds (distance) P-C4' energy: -13.909 flat angles C4'-P-C4' energy: -15.150 flat angles P-C4'-P energy: -10.943 tors. eta vs tors. theta energy: -13.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -166.174290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.174290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.174290 (E_RNA) where: Base-Base interactions energy: -105.630 where: short stacking energy: -50.707 Base-Backbone interact. energy: -0.049 local terms energy: -60.495536 where: bonds (distance) C4'-P energy: -12.179 bonds (distance) P-C4' energy: -16.149 flat angles C4'-P-C4' energy: -13.396 flat angles P-C4'-P energy: -7.130 tors. eta vs tors. theta energy: -11.641 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: 6 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -168.496021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.496021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.496021 (E_RNA) where: Base-Base interactions energy: -114.515 where: short stacking energy: -52.442 Base-Backbone interact. energy: -0.081 local terms energy: -53.900394 where: bonds (distance) C4'-P energy: -5.016 bonds (distance) P-C4' energy: -13.809 flat angles C4'-P-C4' energy: -13.160 flat angles P-C4'-P energy: -10.022 tors. eta vs tors. theta energy: -11.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -106.055346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.055346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.055346 (E_RNA) where: Base-Base interactions energy: -46.803 where: short stacking energy: -45.642 Base-Backbone interact. energy: -0.003 local terms energy: -59.249134 where: bonds (distance) C4'-P energy: -9.911 bonds (distance) P-C4' energy: -12.321 flat angles C4'-P-C4' energy: -12.352 flat angles P-C4'-P energy: -12.685 tors. eta vs tors. theta energy: -11.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -127.808934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.808934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.808934 (E_RNA) where: Base-Base interactions energy: -75.628 where: short stacking energy: -32.031 Base-Backbone interact. energy: -0.126 local terms energy: -52.055611 where: bonds (distance) C4'-P energy: -15.734 bonds (distance) P-C4' energy: -13.594 flat angles C4'-P-C4' energy: -9.276 flat angles P-C4'-P energy: -8.735 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: 10, replica: 3 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -70.637306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.637306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.637306 (E_RNA) where: Base-Base interactions energy: -22.005 where: short stacking energy: -20.479 Base-Backbone interact. energy: -0.095 local terms energy: -48.537248 where: bonds (distance) C4'-P energy: -15.532 bonds (distance) P-C4' energy: -13.102 flat angles C4'-P-C4' energy: -7.970 flat angles P-C4'-P energy: -12.448 tors. eta vs tors. theta energy: 0.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -219.386934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.386934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.386934 (E_RNA) where: Base-Base interactions energy: -157.309 where: short stacking energy: -65.113 Base-Backbone interact. energy: -0.196 local terms energy: -61.881888 where: bonds (distance) C4'-P energy: -12.526 bonds (distance) P-C4' energy: -14.890 flat angles C4'-P-C4' energy: -11.773 flat angles P-C4'-P energy: -9.718 tors. eta vs tors. theta energy: -12.974 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: 9 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -195.456051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.456051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.456051 (E_RNA) where: Base-Base interactions energy: -129.338 where: short stacking energy: -60.299 Base-Backbone interact. energy: -0.017 local terms energy: -66.100727 where: bonds (distance) C4'-P energy: -14.288 bonds (distance) P-C4' energy: -10.215 flat angles C4'-P-C4' energy: -14.461 flat angles P-C4'-P energy: -10.686 tors. eta vs tors. theta energy: -16.451 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: 10 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -219.330515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.330515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.330515 (E_RNA) where: Base-Base interactions energy: -152.932 where: short stacking energy: -63.625 Base-Backbone interact. energy: -0.279 local terms energy: -66.120085 where: bonds (distance) C4'-P energy: -13.731 bonds (distance) P-C4' energy: -14.244 flat angles C4'-P-C4' energy: -14.260 flat angles P-C4'-P energy: -6.965 tors. eta vs tors. theta energy: -16.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -197.472931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.472931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.472931 (E_RNA) where: Base-Base interactions energy: -143.830 where: short stacking energy: -58.668 Base-Backbone interact. energy: -0.498 local terms energy: -53.145516 where: bonds (distance) C4'-P energy: -10.458 bonds (distance) P-C4' energy: -10.253 flat angles C4'-P-C4' energy: -11.295 flat angles P-C4'-P energy: -8.286 tors. eta vs tors. theta energy: -12.853 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: 5, replica: 4 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -176.473281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.473281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.473281 (E_RNA) where: Base-Base interactions energy: -121.834 where: short stacking energy: -49.075 Base-Backbone interact. energy: -0.457 local terms energy: -54.182528 where: bonds (distance) C4'-P energy: -16.551 bonds (distance) P-C4' energy: -11.224 flat angles C4'-P-C4' energy: -12.811 flat angles P-C4'-P energy: -8.260 tors. eta vs tors. theta energy: -5.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -180.014468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.014468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.014468 (E_RNA) where: Base-Base interactions energy: -124.384 where: short stacking energy: -53.179 Base-Backbone interact. energy: -0.058 local terms energy: -55.572522 where: bonds (distance) C4'-P energy: -10.808 bonds (distance) P-C4' energy: -11.699 flat angles C4'-P-C4' energy: -13.369 flat angles P-C4'-P energy: -8.134 tors. eta vs tors. theta energy: -11.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -168.734135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.734135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.734135 (E_RNA) where: Base-Base interactions energy: -113.502 where: short stacking energy: -48.192 Base-Backbone interact. energy: 0.126 local terms energy: -55.358079 where: bonds (distance) C4'-P energy: -14.303 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -13.710 flat angles P-C4'-P energy: -10.268 tors. eta vs tors. theta energy: -7.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -79.801134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.801134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.801134 (E_RNA) where: Base-Base interactions energy: -33.924 where: short stacking energy: -33.924 Base-Backbone interact. energy: -0.019 local terms energy: -45.858151 where: bonds (distance) C4'-P energy: -5.469 bonds (distance) P-C4' energy: -15.474 flat angles C4'-P-C4' energy: -10.479 flat angles P-C4'-P energy: -5.041 tors. eta vs tors. theta energy: -9.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -81.642832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.642832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.642832 (E_RNA) where: Base-Base interactions energy: -29.656 where: short stacking energy: -29.656 Base-Backbone interact. energy: -0.136 local terms energy: -51.850736 where: bonds (distance) C4'-P energy: -6.656 bonds (distance) P-C4' energy: -14.023 flat angles C4'-P-C4' energy: -12.795 flat angles P-C4'-P energy: -10.632 tors. eta vs tors. theta energy: -7.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -73.843961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.843961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.843961 (E_RNA) where: Base-Base interactions energy: -23.980 where: short stacking energy: -15.291 Base-Backbone interact. energy: 0.955 local terms energy: -50.819639 where: bonds (distance) C4'-P energy: -10.838 bonds (distance) P-C4' energy: -16.207 flat angles C4'-P-C4' energy: -11.180 flat angles P-C4'-P energy: -10.563 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: 1, replica: 8 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -221.860206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.860206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.860206 (E_RNA) where: Base-Base interactions energy: -155.605 where: short stacking energy: -60.146 Base-Backbone interact. energy: -0.646 local terms energy: -65.609179 where: bonds (distance) C4'-P energy: -14.066 bonds (distance) P-C4' energy: -13.676 flat angles C4'-P-C4' energy: -16.194 flat angles P-C4'-P energy: -9.772 tors. eta vs tors. theta energy: -11.901 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: 283 Temperature: 0.950000 Total energy: -221.031770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.031770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.031770 (E_RNA) where: Base-Base interactions energy: -145.238 where: short stacking energy: -66.178 Base-Backbone interact. energy: -0.003 local terms energy: -75.790370 where: bonds (distance) C4'-P energy: -15.764 bonds (distance) P-C4' energy: -15.266 flat angles C4'-P-C4' energy: -16.782 flat angles P-C4'-P energy: -9.995 tors. eta vs tors. theta energy: -17.984 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: 9 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -194.187389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.187389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.187389 (E_RNA) where: Base-Base interactions energy: -131.935 where: short stacking energy: -59.637 Base-Backbone interact. energy: -0.004 local terms energy: -62.248701 where: bonds (distance) C4'-P energy: -13.901 bonds (distance) P-C4' energy: -9.765 flat angles C4'-P-C4' energy: -12.609 flat angles P-C4'-P energy: -8.889 tors. eta vs tors. theta energy: -17.085 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: 4, replica: 4 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -185.345348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.345348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.345348 (E_RNA) where: Base-Base interactions energy: -119.210 where: short stacking energy: -53.839 Base-Backbone interact. energy: -0.198 local terms energy: -65.937578 where: bonds (distance) C4'-P energy: -12.824 bonds (distance) P-C4' energy: -16.036 flat angles C4'-P-C4' energy: -12.798 flat angles P-C4'-P energy: -10.154 tors. eta vs tors. theta energy: -14.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -195.376422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.376422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.376422 (E_RNA) where: Base-Base interactions energy: -133.252 where: short stacking energy: -59.361 Base-Backbone interact. energy: -0.216 local terms energy: -61.908520 where: bonds (distance) C4'-P energy: -12.332 bonds (distance) P-C4' energy: -15.481 flat angles C4'-P-C4' energy: -10.509 flat angles P-C4'-P energy: -7.398 tors. eta vs tors. theta energy: -16.189 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: 6, replica: 7 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -179.385972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.385972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.385972 (E_RNA) where: Base-Base interactions energy: -115.816 where: short stacking energy: -62.440 Base-Backbone interact. energy: -0.172 local terms energy: -63.398527 where: bonds (distance) C4'-P energy: -12.547 bonds (distance) P-C4' energy: -14.557 flat angles C4'-P-C4' energy: -11.532 flat angles P-C4'-P energy: -8.899 tors. eta vs tors. theta energy: -15.864 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: 6 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -145.324935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.324935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.324935 (E_RNA) where: Base-Base interactions energy: -88.822 where: short stacking energy: -38.758 Base-Backbone interact. energy: -0.099 local terms energy: -56.403325 where: bonds (distance) C4'-P energy: -13.958 bonds (distance) P-C4' energy: -13.324 flat angles C4'-P-C4' energy: -16.438 flat angles P-C4'-P energy: -7.753 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: 8, replica: 3 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -102.476952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.476952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.476952 (E_RNA) where: Base-Base interactions energy: -49.118 where: short stacking energy: -49.118 Base-Backbone interact. energy: -0.011 local terms energy: -53.347954 where: bonds (distance) C4'-P energy: -11.102 bonds (distance) P-C4' energy: -12.145 flat angles C4'-P-C4' energy: -12.172 flat angles P-C4'-P energy: -7.344 tors. eta vs tors. theta energy: -10.585 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: 5 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -89.927755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.927755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.927755 (E_RNA) where: Base-Base interactions energy: -41.431 where: short stacking energy: -34.719 Base-Backbone interact. energy: -0.002 local terms energy: -48.494934 where: bonds (distance) C4'-P energy: -13.161 bonds (distance) P-C4' energy: -16.061 flat angles C4'-P-C4' energy: -9.233 flat angles P-C4'-P energy: -6.443 tors. eta vs tors. theta energy: -3.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -90.438090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.438090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.438090 (E_RNA) where: Base-Base interactions energy: -49.089 where: short stacking energy: -22.913 Base-Backbone interact. energy: -0.300 local terms energy: -41.048621 where: bonds (distance) C4'-P energy: -14.094 bonds (distance) P-C4' energy: -10.432 flat angles C4'-P-C4' energy: -11.534 flat angles P-C4'-P energy: -5.787 tors. eta vs tors. theta energy: 0.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -219.481870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.481870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.481870 (E_RNA) where: Base-Base interactions energy: -152.114 where: short stacking energy: -64.614 Base-Backbone interact. energy: -0.000 local terms energy: -67.367655 where: bonds (distance) C4'-P energy: -17.734 bonds (distance) P-C4' energy: -12.457 flat angles C4'-P-C4' energy: -15.170 flat angles P-C4'-P energy: -5.353 tors. eta vs tors. theta energy: -16.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -205.555286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.555286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.555286 (E_RNA) where: Base-Base interactions energy: -144.099 where: short stacking energy: -61.930 Base-Backbone interact. energy: -0.424 local terms energy: -61.032937 where: bonds (distance) C4'-P energy: -13.069 bonds (distance) P-C4' energy: -14.581 flat angles C4'-P-C4' energy: -15.673 flat angles P-C4'-P energy: -5.771 tors. eta vs tors. theta energy: -11.939 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: 3, replica: 4 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -204.743635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.743635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.743635 (E_RNA) where: Base-Base interactions energy: -132.206 where: short stacking energy: -66.686 Base-Backbone interact. energy: -1.061 local terms energy: -71.476815 where: bonds (distance) C4'-P energy: -11.483 bonds (distance) P-C4' energy: -18.039 flat angles C4'-P-C4' energy: -14.436 flat angles P-C4'-P energy: -9.998 tors. eta vs tors. theta energy: -17.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -182.625418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.625418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.625418 (E_RNA) where: Base-Base interactions energy: -126.553 where: short stacking energy: -58.087 Base-Backbone interact. energy: -0.238 local terms energy: -55.835102 where: bonds (distance) C4'-P energy: -11.119 bonds (distance) P-C4' energy: -9.102 flat angles C4'-P-C4' energy: -17.423 flat angles P-C4'-P energy: -4.072 tors. eta vs tors. theta energy: -14.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -191.052201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.052201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.052201 (E_RNA) where: Base-Base interactions energy: -120.251 where: short stacking energy: -54.315 Base-Backbone interact. energy: -0.003 local terms energy: -70.798140 where: bonds (distance) C4'-P energy: -15.169 bonds (distance) P-C4' energy: -15.793 flat angles C4'-P-C4' energy: -11.814 flat angles P-C4'-P energy: -11.470 tors. eta vs tors. theta energy: -16.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -181.093399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.093399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.093399 (E_RNA) where: Base-Base interactions energy: -112.019 where: short stacking energy: -57.515 Base-Backbone interact. energy: -0.343 local terms energy: -68.730741 where: bonds (distance) C4'-P energy: -14.899 bonds (distance) P-C4' energy: -12.923 flat angles C4'-P-C4' energy: -14.118 flat angles P-C4'-P energy: -11.172 tors. eta vs tors. theta energy: -15.619 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: 6 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -171.453770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.453770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.453770 (E_RNA) where: Base-Base interactions energy: -112.125 where: short stacking energy: -54.244 Base-Backbone interact. energy: -0.742 local terms energy: -58.587451 where: bonds (distance) C4'-P energy: -10.163 bonds (distance) P-C4' energy: -14.789 flat angles C4'-P-C4' energy: -14.371 flat angles P-C4'-P energy: -8.013 tors. eta vs tors. theta energy: -11.251 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: 8, replica: 3 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -76.472994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.472994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.472994 (E_RNA) where: Base-Base interactions energy: -28.481 where: short stacking energy: -28.481 Base-Backbone interact. energy: -0.051 local terms energy: -47.941541 where: bonds (distance) C4'-P energy: -5.780 bonds (distance) P-C4' energy: -16.253 flat angles C4'-P-C4' energy: -12.378 flat angles P-C4'-P energy: -8.060 tors. eta vs tors. theta energy: -5.472 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: 5 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -111.885839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.885839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.885839 (E_RNA) where: Base-Base interactions energy: -56.801 where: short stacking energy: -32.726 Base-Backbone interact. energy: -0.083 local terms energy: -55.001553 where: bonds (distance) C4'-P energy: -11.334 bonds (distance) P-C4' energy: -14.631 flat angles C4'-P-C4' energy: -13.294 flat angles P-C4'-P energy: -7.016 tors. eta vs tors. theta energy: -8.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -74.048289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.048289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.048289 (E_RNA) where: Base-Base interactions energy: -26.963 where: short stacking energy: -26.747 Base-Backbone interact. energy: -0.418 local terms energy: -46.667925 where: bonds (distance) C4'-P energy: -11.580 bonds (distance) P-C4' energy: -15.392 flat angles C4'-P-C4' energy: -11.185 flat angles P-C4'-P energy: -6.745 tors. eta vs tors. theta energy: -1.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -218.628787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.628787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.628787 (E_RNA) where: Base-Base interactions energy: -152.200 where: short stacking energy: -64.887 Base-Backbone interact. energy: -0.013 local terms energy: -66.416442 where: bonds (distance) C4'-P energy: -15.073 bonds (distance) P-C4' energy: -13.072 flat angles C4'-P-C4' energy: -16.350 flat angles P-C4'-P energy: -8.328 tors. eta vs tors. theta energy: -13.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -211.749637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.749637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.749637 (E_RNA) where: Base-Base interactions energy: -136.077 where: short stacking energy: -68.388 Base-Backbone interact. energy: -0.533 local terms energy: -75.139937 where: bonds (distance) C4'-P energy: -15.256 bonds (distance) P-C4' energy: -17.066 flat angles C4'-P-C4' energy: -15.028 flat angles P-C4'-P energy: -10.426 tors. eta vs tors. theta energy: -17.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -190.088282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.088282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.088282 (E_RNA) where: Base-Base interactions energy: -125.055 where: short stacking energy: -53.491 Base-Backbone interact. energy: -0.628 local terms energy: -64.405409 where: bonds (distance) C4'-P energy: -13.956 bonds (distance) P-C4' energy: -18.253 flat angles C4'-P-C4' energy: -12.028 flat angles P-C4'-P energy: -9.050 tors. eta vs tors. theta energy: -11.118 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: 285 Temperature: 1.050000 Total energy: -173.622654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.622654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.622654 (E_RNA) where: Base-Base interactions energy: -116.851 where: short stacking energy: -54.302 Base-Backbone interact. energy: -0.017 local terms energy: -56.754593 where: bonds (distance) C4'-P energy: -10.656 bonds (distance) P-C4' energy: -15.284 flat angles C4'-P-C4' energy: -11.744 flat angles P-C4'-P energy: -7.639 tors. eta vs tors. theta energy: -11.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -173.146512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.146512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.146512 (E_RNA) where: Base-Base interactions energy: -115.175 where: short stacking energy: -43.860 Base-Backbone interact. energy: -0.015 local terms energy: -57.956620 where: bonds (distance) C4'-P energy: -9.488 bonds (distance) P-C4' energy: -15.787 flat angles C4'-P-C4' energy: -13.851 flat angles P-C4'-P energy: -7.519 tors. eta vs tors. theta energy: -11.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -184.247285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.247285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.247285 (E_RNA) where: Base-Base interactions energy: -122.159 where: short stacking energy: -52.403 Base-Backbone interact. energy: -0.130 local terms energy: -61.957420 where: bonds (distance) C4'-P energy: -14.314 bonds (distance) P-C4' energy: -12.763 flat angles C4'-P-C4' energy: -11.529 flat angles P-C4'-P energy: -9.968 tors. eta vs tors. theta energy: -13.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -162.096682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.096682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.096682 (E_RNA) where: Base-Base interactions energy: -112.431 where: short stacking energy: -41.470 Base-Backbone interact. energy: -0.914 local terms energy: -48.751819 where: bonds (distance) C4'-P energy: -11.280 bonds (distance) P-C4' energy: -13.178 flat angles C4'-P-C4' energy: -11.260 flat angles P-C4'-P energy: -6.908 tors. eta vs tors. theta energy: -6.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -90.555660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.555660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.555660 (E_RNA) where: Base-Base interactions energy: -41.679 where: short stacking energy: -36.532 Base-Backbone interact. energy: -0.261 local terms energy: -48.614917 where: bonds (distance) C4'-P energy: -14.011 bonds (distance) P-C4' energy: -13.235 flat angles C4'-P-C4' energy: -7.880 flat angles P-C4'-P energy: -8.450 tors. eta vs tors. theta energy: -5.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -80.141602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.141602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.141602 (E_RNA) where: Base-Base interactions energy: -25.689 where: short stacking energy: -25.689 Base-Backbone interact. energy: -0.146 local terms energy: -54.307111 where: bonds (distance) C4'-P energy: -12.936 bonds (distance) P-C4' energy: -12.582 flat angles C4'-P-C4' energy: -11.027 flat angles P-C4'-P energy: -10.403 tors. eta vs tors. theta energy: -7.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -78.575532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.575532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.575532 (E_RNA) where: Base-Base interactions energy: -30.475 where: short stacking energy: -15.046 Base-Backbone interact. energy: -0.021 local terms energy: -48.079540 where: bonds (distance) C4'-P energy: -10.451 bonds (distance) P-C4' energy: -15.716 flat angles C4'-P-C4' energy: -13.405 flat angles P-C4'-P energy: -8.368 tors. eta vs tors. theta energy: -0.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -213.523116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.523116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.523116 (E_RNA) where: Base-Base interactions energy: -142.127 where: short stacking energy: -65.130 Base-Backbone interact. energy: -0.200 local terms energy: -71.196408 where: bonds (distance) C4'-P energy: -12.315 bonds (distance) P-C4' energy: -17.059 flat angles C4'-P-C4' energy: -15.442 flat angles P-C4'-P energy: -11.094 tors. eta vs tors. theta energy: -15.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -211.545361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.545361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.545361 (E_RNA) where: Base-Base interactions energy: -137.036 where: short stacking energy: -69.315 Base-Backbone interact. energy: -0.475 local terms energy: -74.034050 where: bonds (distance) C4'-P energy: -15.789 bonds (distance) P-C4' energy: -16.622 flat angles C4'-P-C4' energy: -14.693 flat angles P-C4'-P energy: -9.705 tors. eta vs tors. theta energy: -17.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -185.278251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.278251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.278251 (E_RNA) where: Base-Base interactions energy: -120.621 where: short stacking energy: -61.398 Base-Backbone interact. energy: -0.068 local terms energy: -64.589981 where: bonds (distance) C4'-P energy: -10.660 bonds (distance) P-C4' energy: -15.039 flat angles C4'-P-C4' energy: -12.893 flat angles P-C4'-P energy: -11.345 tors. eta vs tors. theta energy: -14.653 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: 8 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -191.954255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.954255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.954255 (E_RNA) where: Base-Base interactions energy: -126.055 where: short stacking energy: -55.917 Base-Backbone interact. energy: -0.070 local terms energy: -65.830007 where: bonds (distance) C4'-P energy: -14.484 bonds (distance) P-C4' energy: -14.849 flat angles C4'-P-C4' energy: -9.992 flat angles P-C4'-P energy: -12.220 tors. eta vs tors. theta energy: -14.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -199.079339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.079339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.079339 (E_RNA) where: Base-Base interactions energy: -130.372 where: short stacking energy: -60.101 Base-Backbone interact. energy: -0.023 local terms energy: -68.684400 where: bonds (distance) C4'-P energy: -14.970 bonds (distance) P-C4' energy: -14.704 flat angles C4'-P-C4' energy: -16.548 flat angles P-C4'-P energy: -7.720 tors. eta vs tors. theta energy: -14.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -147.261763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.261763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.261763 (E_RNA) where: Base-Base interactions energy: -96.384 where: short stacking energy: -42.786 Base-Backbone interact. energy: 0.119 local terms energy: -50.996672 where: bonds (distance) C4'-P energy: -11.748 bonds (distance) P-C4' energy: -15.751 flat angles C4'-P-C4' energy: -11.768 flat angles P-C4'-P energy: -3.847 tors. eta vs tors. theta energy: -7.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -165.215122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.215122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.215122 (E_RNA) where: Base-Base interactions energy: -117.550 where: short stacking energy: -47.570 Base-Backbone interact. energy: -0.142 local terms energy: -47.523712 where: bonds (distance) C4'-P energy: -6.059 bonds (distance) P-C4' energy: -12.403 flat angles C4'-P-C4' energy: -12.664 flat angles P-C4'-P energy: -5.542 tors. eta vs tors. theta energy: -10.857 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: 5 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -97.805657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.805657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.805657 (E_RNA) where: Base-Base interactions energy: -48.032 where: short stacking energy: -39.631 Base-Backbone interact. energy: -0.128 local terms energy: -49.645043 where: bonds (distance) C4'-P energy: -10.112 bonds (distance) P-C4' energy: -13.052 flat angles C4'-P-C4' energy: -13.049 flat angles P-C4'-P energy: -8.079 tors. eta vs tors. theta energy: -5.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -87.697424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.697424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.697424 (E_RNA) where: Base-Base interactions energy: -47.698 where: short stacking energy: -36.567 Base-Backbone interact. energy: -0.033 local terms energy: -39.966150 where: bonds (distance) C4'-P energy: -10.195 bonds (distance) P-C4' energy: -9.531 flat angles C4'-P-C4' energy: -10.454 flat angles P-C4'-P energy: -6.759 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: 10, replica: 1 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -80.103204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.103204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.103204 (E_RNA) where: Base-Base interactions energy: -31.748 where: short stacking energy: -27.617 Base-Backbone interact. energy: 0.220 local terms energy: -48.574754 where: bonds (distance) C4'-P energy: -12.767 bonds (distance) P-C4' energy: -12.337 flat angles C4'-P-C4' energy: -13.853 flat angles P-C4'-P energy: -9.695 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: 4 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -207.764869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.764869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.764869 (E_RNA) where: Base-Base interactions energy: -131.123 where: short stacking energy: -64.524 Base-Backbone interact. energy: -0.759 local terms energy: -75.882993 where: bonds (distance) C4'-P energy: -13.703 bonds (distance) P-C4' energy: -14.542 flat angles C4'-P-C4' energy: -15.383 flat angles P-C4'-P energy: -13.220 tors. eta vs tors. theta energy: -19.035 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: 7 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -192.888301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.888301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.888301 (E_RNA) where: Base-Base interactions energy: -124.876 where: short stacking energy: -56.850 Base-Backbone interact. energy: -0.089 local terms energy: -67.923658 where: bonds (distance) C4'-P energy: -14.445 bonds (distance) P-C4' energy: -15.035 flat angles C4'-P-C4' energy: -12.728 flat angles P-C4'-P energy: -11.918 tors. eta vs tors. theta energy: -13.797 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: 3, replica: 10 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -208.668616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.668616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.668616 (E_RNA) where: Base-Base interactions energy: -150.032 where: short stacking energy: -63.646 Base-Backbone interact. energy: -0.034 local terms energy: -58.602969 where: bonds (distance) C4'-P energy: -9.298 bonds (distance) P-C4' energy: -10.754 flat angles C4'-P-C4' energy: -15.705 flat angles P-C4'-P energy: -6.209 tors. eta vs tors. theta energy: -16.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -194.018497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.018497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.018497 (E_RNA) where: Base-Base interactions energy: -127.187 where: short stacking energy: -58.193 Base-Backbone interact. energy: -0.056 local terms energy: -66.775401 where: bonds (distance) C4'-P energy: -14.627 bonds (distance) P-C4' energy: -17.545 flat angles C4'-P-C4' energy: -10.862 flat angles P-C4'-P energy: -11.473 tors. eta vs tors. theta energy: -12.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -202.023241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.023241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.023241 (E_RNA) where: Base-Base interactions energy: -148.785 where: short stacking energy: -61.738 Base-Backbone interact. energy: -0.124 local terms energy: -53.114595 where: bonds (distance) C4'-P energy: -7.452 bonds (distance) P-C4' energy: -13.168 flat angles C4'-P-C4' energy: -14.649 flat angles P-C4'-P energy: -7.401 tors. eta vs tors. theta energy: -10.445 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: 2 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -170.731316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.731316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.731316 (E_RNA) where: Base-Base interactions energy: -114.266 where: short stacking energy: -49.546 Base-Backbone interact. energy: -0.092 local terms energy: -56.373228 where: bonds (distance) C4'-P energy: -15.172 bonds (distance) P-C4' energy: -14.360 flat angles C4'-P-C4' energy: -10.004 flat angles P-C4'-P energy: -7.389 tors. eta vs tors. theta energy: -9.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -168.646796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.646796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.646796 (E_RNA) where: Base-Base interactions energy: -116.478 where: short stacking energy: -49.108 Base-Backbone interact. energy: -0.054 local terms energy: -52.115199 where: bonds (distance) C4'-P energy: -9.310 bonds (distance) P-C4' energy: -13.668 flat angles C4'-P-C4' energy: -12.951 flat angles P-C4'-P energy: -7.621 tors. eta vs tors. theta energy: -8.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -85.834213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.834213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.834213 (E_RNA) where: Base-Base interactions energy: -34.031 where: short stacking energy: -29.379 Base-Backbone interact. energy: -0.091 local terms energy: -51.712897 where: bonds (distance) C4'-P energy: -14.087 bonds (distance) P-C4' energy: -11.920 flat angles C4'-P-C4' energy: -14.627 flat angles P-C4'-P energy: -9.370 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: 9, replica: 5 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -85.640652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.640652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.640652 (E_RNA) where: Base-Base interactions energy: -47.636 where: short stacking energy: -26.337 Base-Backbone interact. energy: 1.245 local terms energy: -39.249693 where: bonds (distance) C4'-P energy: -5.901 bonds (distance) P-C4' energy: -12.732 flat angles C4'-P-C4' energy: -11.200 flat angles P-C4'-P energy: -8.672 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: 10, replica: 1 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -72.986578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.986578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.986578 (E_RNA) where: Base-Base interactions energy: -21.894 where: short stacking energy: -19.889 Base-Backbone interact. energy: -0.041 local terms energy: -51.050656 where: bonds (distance) C4'-P energy: -16.812 bonds (distance) P-C4' energy: -11.626 flat angles C4'-P-C4' energy: -6.759 flat angles P-C4'-P energy: -13.757 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: 4 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -220.123487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.123487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.123487 (E_RNA) where: Base-Base interactions energy: -145.904 where: short stacking energy: -60.190 Base-Backbone interact. energy: -0.104 local terms energy: -74.115109 where: bonds (distance) C4'-P energy: -12.878 bonds (distance) P-C4' energy: -16.518 flat angles C4'-P-C4' energy: -16.264 flat angles P-C4'-P energy: -10.555 tors. eta vs tors. theta energy: -17.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -197.233770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.233770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.233770 (E_RNA) where: Base-Base interactions energy: -129.796 where: short stacking energy: -59.051 Base-Backbone interact. energy: -0.035 local terms energy: -67.402521 where: bonds (distance) C4'-P energy: -10.846 bonds (distance) P-C4' energy: -15.987 flat angles C4'-P-C4' energy: -14.327 flat angles P-C4'-P energy: -10.808 tors. eta vs tors. theta energy: -15.436 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: 9 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -195.588641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.588641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.588641 (E_RNA) where: Base-Base interactions energy: -129.035 where: short stacking energy: -59.163 Base-Backbone interact. energy: 0.192 local terms energy: -66.744830 where: bonds (distance) C4'-P energy: -15.930 bonds (distance) P-C4' energy: -14.511 flat angles C4'-P-C4' energy: -14.836 flat angles P-C4'-P energy: -7.730 tors. eta vs tors. theta energy: -13.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -215.944917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.944917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.944917 (E_RNA) where: Base-Base interactions energy: -152.151 where: short stacking energy: -67.396 Base-Backbone interact. energy: -0.009 local terms energy: -63.785126 where: bonds (distance) C4'-P energy: -14.063 bonds (distance) P-C4' energy: -13.516 flat angles C4'-P-C4' energy: -15.443 flat angles P-C4'-P energy: -7.266 tors. eta vs tors. theta energy: -13.496 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: 5, replica: 8 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -194.084556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.084556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.084556 (E_RNA) where: Base-Base interactions energy: -135.711 where: short stacking energy: -57.952 Base-Backbone interact. energy: -0.743 local terms energy: -57.631152 where: bonds (distance) C4'-P energy: -12.034 bonds (distance) P-C4' energy: -16.479 flat angles C4'-P-C4' energy: -14.017 flat angles P-C4'-P energy: -2.318 tors. eta vs tors. theta energy: -12.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -169.879608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.879608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.879608 (E_RNA) where: Base-Base interactions energy: -108.600 where: short stacking energy: -41.761 Base-Backbone interact. energy: -0.126 local terms energy: -61.153113 where: bonds (distance) C4'-P energy: -12.971 bonds (distance) P-C4' energy: -12.856 flat angles C4'-P-C4' energy: -14.976 flat angles P-C4'-P energy: -10.219 tors. eta vs tors. theta energy: -10.132 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: 6 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -145.161917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.161917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.161917 (E_RNA) where: Base-Base interactions energy: -88.187 where: short stacking energy: -37.736 Base-Backbone interact. energy: -0.122 local terms energy: -56.853024 where: bonds (distance) C4'-P energy: -14.000 bonds (distance) P-C4' energy: -13.088 flat angles C4'-P-C4' energy: -12.778 flat angles P-C4'-P energy: -10.294 tors. eta vs tors. theta energy: -6.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -90.064618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.064618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.064618 (E_RNA) where: Base-Base interactions energy: -46.046 where: short stacking energy: -22.274 Base-Backbone interact. energy: -0.104 local terms energy: -43.914653 where: bonds (distance) C4'-P energy: -7.610 bonds (distance) P-C4' energy: -15.190 flat angles C4'-P-C4' energy: -11.739 flat angles P-C4'-P energy: -8.561 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: 1 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -80.615662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.615662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.615662 (E_RNA) where: Base-Base interactions energy: -31.133 where: short stacking energy: -9.497 Base-Backbone interact. energy: 0.760 local terms energy: -50.242808 where: bonds (distance) C4'-P energy: -14.171 bonds (distance) P-C4' energy: -12.858 flat angles C4'-P-C4' energy: -14.247 flat angles P-C4'-P energy: -7.881 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: 10, replica: 5 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -86.645449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.645449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.645449 (E_RNA) where: Base-Base interactions energy: -35.287 where: short stacking energy: -31.104 Base-Backbone interact. energy: 0.916 local terms energy: -52.274471 where: bonds (distance) C4'-P energy: -13.997 bonds (distance) P-C4' energy: -13.430 flat angles C4'-P-C4' energy: -14.420 flat angles P-C4'-P energy: -9.044 tors. eta vs tors. theta energy: -1.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -219.914777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.914777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.914777 (E_RNA) where: Base-Base interactions energy: -147.447 where: short stacking energy: -65.450 Base-Backbone interact. energy: -0.225 local terms energy: -72.242890 where: bonds (distance) C4'-P energy: -13.499 bonds (distance) P-C4' energy: -15.743 flat angles C4'-P-C4' energy: -15.307 flat angles P-C4'-P energy: -10.815 tors. eta vs tors. theta energy: -16.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -200.764990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.764990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.764990 (E_RNA) where: Base-Base interactions energy: -135.051 where: short stacking energy: -56.875 Base-Backbone interact. energy: -0.385 local terms energy: -65.329164 where: bonds (distance) C4'-P energy: -15.238 bonds (distance) P-C4' energy: -16.600 flat angles C4'-P-C4' energy: -13.677 flat angles P-C4'-P energy: -8.626 tors. eta vs tors. theta energy: -11.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -185.434797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.434797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.434797 (E_RNA) where: Base-Base interactions energy: -125.949 where: short stacking energy: -54.176 Base-Backbone interact. energy: -0.005 local terms energy: -59.480548 where: bonds (distance) C4'-P energy: -13.586 bonds (distance) P-C4' energy: -9.777 flat angles C4'-P-C4' energy: -15.041 flat angles P-C4'-P energy: -9.950 tors. eta vs tors. theta energy: -11.126 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: 4, replica: 10 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -195.676019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.676019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.676019 (E_RNA) where: Base-Base interactions energy: -128.641 where: short stacking energy: -49.740 Base-Backbone interact. energy: -0.084 local terms energy: -66.951217 where: bonds (distance) C4'-P energy: -10.737 bonds (distance) P-C4' energy: -14.430 flat angles C4'-P-C4' energy: -14.103 flat angles P-C4'-P energy: -10.534 tors. eta vs tors. theta energy: -17.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -173.516007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.516007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.516007 (E_RNA) where: Base-Base interactions energy: -115.092 where: short stacking energy: -53.342 Base-Backbone interact. energy: -0.135 local terms energy: -58.289842 where: bonds (distance) C4'-P energy: -13.196 bonds (distance) P-C4' energy: -12.735 flat angles C4'-P-C4' energy: -11.175 flat angles P-C4'-P energy: -10.258 tors. eta vs tors. theta energy: -10.925 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: 6, replica: 6 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -146.636259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.636259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.636259 (E_RNA) where: Base-Base interactions energy: -94.333 where: short stacking energy: -31.674 Base-Backbone interact. energy: -0.139 local terms energy: -52.164503 where: bonds (distance) C4'-P energy: -9.488 bonds (distance) P-C4' energy: -12.042 flat angles C4'-P-C4' energy: -16.782 flat angles P-C4'-P energy: -7.186 tors. eta vs tors. theta energy: -6.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -166.810304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.810304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.810304 (E_RNA) where: Base-Base interactions energy: -108.879 where: short stacking energy: -46.059 Base-Backbone interact. energy: -0.139 local terms energy: -57.792003 where: bonds (distance) C4'-P energy: -8.308 bonds (distance) P-C4' energy: -16.339 flat angles C4'-P-C4' energy: -14.694 flat angles P-C4'-P energy: -8.267 tors. eta vs tors. theta energy: -10.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -87.744164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.744164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.744164 (E_RNA) where: Base-Base interactions energy: -39.124 where: short stacking energy: -25.214 Base-Backbone interact. energy: -0.096 local terms energy: -48.524564 where: bonds (distance) C4'-P energy: -13.640 bonds (distance) P-C4' energy: -14.723 flat angles C4'-P-C4' energy: -10.504 flat angles P-C4'-P energy: -8.546 tors. eta vs tors. theta energy: -1.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -73.208170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.208170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.208170 (E_RNA) where: Base-Base interactions energy: -23.715 where: short stacking energy: -23.715 Base-Backbone interact. energy: -0.079 local terms energy: -49.414692 where: bonds (distance) C4'-P energy: -12.315 bonds (distance) P-C4' energy: -13.662 flat angles C4'-P-C4' energy: -12.283 flat angles P-C4'-P energy: -11.837 tors. eta vs tors. theta energy: 0.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -80.421155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.421155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.421155 (E_RNA) where: Base-Base interactions energy: -33.054 where: short stacking energy: -20.397 Base-Backbone interact. energy: -0.215 local terms energy: -47.152136 where: bonds (distance) C4'-P energy: -7.750 bonds (distance) P-C4' energy: -13.784 flat angles C4'-P-C4' energy: -13.469 flat angles P-C4'-P energy: -7.123 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: 1, replica: 4 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -221.110944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.110944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.110944 (E_RNA) where: Base-Base interactions energy: -152.476 where: short stacking energy: -62.929 Base-Backbone interact. energy: -1.339 local terms energy: -67.296504 where: bonds (distance) C4'-P energy: -13.003 bonds (distance) P-C4' energy: -15.474 flat angles C4'-P-C4' energy: -11.281 flat angles P-C4'-P energy: -9.116 tors. eta vs tors. theta energy: -18.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -200.275538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.275538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.275538 (E_RNA) where: Base-Base interactions energy: -139.487 where: short stacking energy: -56.010 Base-Backbone interact. energy: -0.517 local terms energy: -60.271562 where: bonds (distance) C4'-P energy: -12.104 bonds (distance) P-C4' energy: -13.422 flat angles C4'-P-C4' energy: -12.241 flat angles P-C4'-P energy: -9.351 tors. eta vs tors. theta energy: -13.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -207.333270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.333270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.333270 (E_RNA) where: Base-Base interactions energy: -137.420 where: short stacking energy: -54.349 Base-Backbone interact. energy: -0.632 local terms energy: -69.281385 where: bonds (distance) C4'-P energy: -14.924 bonds (distance) P-C4' energy: -16.879 flat angles C4'-P-C4' energy: -14.649 flat angles P-C4'-P energy: -6.122 tors. eta vs tors. theta energy: -16.707 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: 9 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -185.937626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.937626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.937626 (E_RNA) where: Base-Base interactions energy: -119.316 where: short stacking energy: -57.106 Base-Backbone interact. energy: -0.009 local terms energy: -66.612803 where: bonds (distance) C4'-P energy: -9.807 bonds (distance) P-C4' energy: -15.210 flat angles C4'-P-C4' energy: -15.780 flat angles P-C4'-P energy: -9.184 tors. eta vs tors. theta energy: -16.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -175.658626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.658626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.658626 (E_RNA) where: Base-Base interactions energy: -109.967 where: short stacking energy: -53.489 Base-Backbone interact. energy: -0.051 local terms energy: -65.641216 where: bonds (distance) C4'-P energy: -14.989 bonds (distance) P-C4' energy: -13.696 flat angles C4'-P-C4' energy: -12.497 flat angles P-C4'-P energy: -11.168 tors. eta vs tors. theta energy: -13.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -150.140334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.140334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.140334 (E_RNA) where: Base-Base interactions energy: -102.711 where: short stacking energy: -24.039 Base-Backbone interact. energy: 1.391 local terms energy: -48.820712 where: bonds (distance) C4'-P energy: -13.818 bonds (distance) P-C4' energy: -9.587 flat angles C4'-P-C4' energy: -14.027 flat angles P-C4'-P energy: -8.088 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: 290 Temperature: 1.200000 Total energy: -161.360543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.360543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.360543 (E_RNA) where: Base-Base interactions energy: -112.570 where: short stacking energy: -44.071 Base-Backbone interact. energy: -0.133 local terms energy: -48.656729 where: bonds (distance) C4'-P energy: -10.291 bonds (distance) P-C4' energy: -12.585 flat angles C4'-P-C4' energy: -14.400 flat angles P-C4'-P energy: -7.297 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: 8, replica: 1 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -84.432782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.432782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.432782 (E_RNA) where: Base-Base interactions energy: -31.006 where: short stacking energy: -31.006 Base-Backbone interact. energy: -0.019 local terms energy: -53.408536 where: bonds (distance) C4'-P energy: -12.648 bonds (distance) P-C4' energy: -15.775 flat angles C4'-P-C4' energy: -13.196 flat angles P-C4'-P energy: -5.915 tors. eta vs tors. theta energy: -5.875 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: 3 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -75.065171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.065171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.065171 (E_RNA) where: Base-Base interactions energy: -30.642 where: short stacking energy: -30.642 Base-Backbone interact. energy: 0.291 local terms energy: -44.714759 where: bonds (distance) C4'-P energy: -14.083 bonds (distance) P-C4' energy: -15.138 flat angles C4'-P-C4' energy: -9.894 flat angles P-C4'-P energy: -3.676 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: 10, replica: 5 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -89.837922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.837922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.837922 (E_RNA) where: Base-Base interactions energy: -45.744 where: short stacking energy: -23.972 Base-Backbone interact. energy: -0.380 local terms energy: -43.714142 where: bonds (distance) C4'-P energy: -13.189 bonds (distance) P-C4' energy: -9.634 flat angles C4'-P-C4' energy: -12.501 flat angles P-C4'-P energy: -9.157 tors. eta vs tors. theta energy: 0.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -224.474883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.474883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.474883 (E_RNA) where: Base-Base interactions energy: -156.372 where: short stacking energy: -63.238 Base-Backbone interact. energy: -0.291 local terms energy: -67.812324 where: bonds (distance) C4'-P energy: -13.533 bonds (distance) P-C4' energy: -16.594 flat angles C4'-P-C4' energy: -15.610 flat angles P-C4'-P energy: -7.085 tors. eta vs tors. theta energy: -14.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -217.071928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.071928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.071928 (E_RNA) where: Base-Base interactions energy: -151.779 where: short stacking energy: -66.708 Base-Backbone interact. energy: -0.001 local terms energy: -65.291900 where: bonds (distance) C4'-P energy: -15.185 bonds (distance) P-C4' energy: -12.518 flat angles C4'-P-C4' energy: -16.971 flat angles P-C4'-P energy: -4.699 tors. eta vs tors. theta energy: -15.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -196.047716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.047716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.047716 (E_RNA) where: Base-Base interactions energy: -129.936 where: short stacking energy: -56.630 Base-Backbone interact. energy: -0.326 local terms energy: -65.785240 where: bonds (distance) C4'-P energy: -13.343 bonds (distance) P-C4' energy: -16.000 flat angles C4'-P-C4' energy: -15.033 flat angles P-C4'-P energy: -7.691 tors. eta vs tors. theta energy: -13.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -189.701939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.701939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.701939 (E_RNA) where: Base-Base interactions energy: -128.595 where: short stacking energy: -52.388 Base-Backbone interact. energy: -0.094 local terms energy: -61.012266 where: bonds (distance) C4'-P energy: -11.132 bonds (distance) P-C4' energy: -16.407 flat angles C4'-P-C4' energy: -9.391 flat angles P-C4'-P energy: -11.350 tors. eta vs tors. theta energy: -12.732 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: 5, replica: 9 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -186.812668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.812668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.812668 (E_RNA) where: Base-Base interactions energy: -129.980 where: short stacking energy: -51.273 Base-Backbone interact. energy: -0.041 local terms energy: -56.791502 where: bonds (distance) C4'-P energy: -11.881 bonds (distance) P-C4' energy: -12.730 flat angles C4'-P-C4' energy: -15.262 flat angles P-C4'-P energy: -5.309 tors. eta vs tors. theta energy: -11.610 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: 2 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -170.397029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.397029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.397029 (E_RNA) where: Base-Base interactions energy: -115.422 where: short stacking energy: -49.528 Base-Backbone interact. energy: -0.852 local terms energy: -54.122698 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -16.851 flat angles C4'-P-C4' energy: -13.734 flat angles P-C4'-P energy: -8.805 tors. eta vs tors. theta energy: -5.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -166.727165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.727165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.727165 (E_RNA) where: Base-Base interactions energy: -114.709 where: short stacking energy: -42.320 Base-Backbone interact. energy: -0.131 local terms energy: -51.886507 where: bonds (distance) C4'-P energy: -11.595 bonds (distance) P-C4' energy: -10.913 flat angles C4'-P-C4' energy: -12.873 flat angles P-C4'-P energy: -6.521 tors. eta vs tors. theta energy: -9.984 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: 3 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -94.618627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.618627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.618627 (E_RNA) where: Base-Base interactions energy: -37.740 where: short stacking energy: -37.740 Base-Backbone interact. energy: -0.024 local terms energy: -56.854478 where: bonds (distance) C4'-P energy: -10.826 bonds (distance) P-C4' energy: -16.429 flat angles C4'-P-C4' energy: -10.478 flat angles P-C4'-P energy: -9.592 tors. eta vs tors. theta energy: -9.531 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: 1 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -75.519197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.519197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.519197 (E_RNA) where: Base-Base interactions energy: -21.194 where: short stacking energy: -21.194 Base-Backbone interact. energy: 0.054 local terms energy: -54.379653 where: bonds (distance) C4'-P energy: -13.354 bonds (distance) P-C4' energy: -13.000 flat angles C4'-P-C4' energy: -14.084 flat angles P-C4'-P energy: -9.898 tors. eta vs tors. theta energy: -4.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -78.434439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.434439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.434439 (E_RNA) where: Base-Base interactions energy: -32.134 where: short stacking energy: -19.683 Base-Backbone interact. energy: -0.146 local terms energy: -46.154124 where: bonds (distance) C4'-P energy: -13.207 bonds (distance) P-C4' energy: -15.706 flat angles C4'-P-C4' energy: -11.640 flat angles P-C4'-P energy: -4.150 tors. eta vs tors. theta energy: -1.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -223.406792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.406792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.406792 (E_RNA) where: Base-Base interactions energy: -152.051 where: short stacking energy: -62.264 Base-Backbone interact. energy: -0.044 local terms energy: -71.312053 where: bonds (distance) C4'-P energy: -15.412 bonds (distance) P-C4' energy: -15.985 flat angles C4'-P-C4' energy: -14.382 flat angles P-C4'-P energy: -11.108 tors. eta vs tors. theta energy: -14.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -217.203495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.203495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.203495 (E_RNA) where: Base-Base interactions energy: -151.788 where: short stacking energy: -67.074 Base-Backbone interact. energy: -0.393 local terms energy: -65.022115 where: bonds (distance) C4'-P energy: -14.283 bonds (distance) P-C4' energy: -14.110 flat angles C4'-P-C4' energy: -12.137 flat angles P-C4'-P energy: -7.061 tors. eta vs tors. theta energy: -17.432 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: 8 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -202.897822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.897822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.897822 (E_RNA) where: Base-Base interactions energy: -139.945 where: short stacking energy: -64.338 Base-Backbone interact. energy: -0.292 local terms energy: -62.660538 where: bonds (distance) C4'-P energy: -13.690 bonds (distance) P-C4' energy: -11.882 flat angles C4'-P-C4' energy: -10.499 flat angles P-C4'-P energy: -8.588 tors. eta vs tors. theta energy: -18.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -204.614310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.614310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.614310 (E_RNA) where: Base-Base interactions energy: -138.222 where: short stacking energy: -61.082 Base-Backbone interact. energy: -0.185 local terms energy: -66.207360 where: bonds (distance) C4'-P energy: -14.172 bonds (distance) P-C4' energy: -13.698 flat angles C4'-P-C4' energy: -15.968 flat angles P-C4'-P energy: -7.145 tors. eta vs tors. theta energy: -15.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -173.066425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.066425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.066425 (E_RNA) where: Base-Base interactions energy: -110.133 where: short stacking energy: -38.352 Base-Backbone interact. energy: -0.281 local terms energy: -62.652853 where: bonds (distance) C4'-P energy: -14.848 bonds (distance) P-C4' energy: -16.801 flat angles C4'-P-C4' energy: -15.754 flat angles P-C4'-P energy: -7.116 tors. eta vs tors. theta energy: -8.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -169.530458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.530458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.530458 (E_RNA) where: Base-Base interactions energy: -113.870 where: short stacking energy: -48.409 Base-Backbone interact. energy: -0.455 local terms energy: -55.205316 where: bonds (distance) C4'-P energy: -13.665 bonds (distance) P-C4' energy: -15.072 flat angles C4'-P-C4' energy: -13.978 flat angles P-C4'-P energy: -3.073 tors. eta vs tors. theta energy: -9.418 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: 7, replica: 6 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -173.841342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.841342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.841342 (E_RNA) where: Base-Base interactions energy: -111.539 where: short stacking energy: -55.291 Base-Backbone interact. energy: -0.243 local terms energy: -62.059188 where: bonds (distance) C4'-P energy: -14.448 bonds (distance) P-C4' energy: -11.322 flat angles C4'-P-C4' energy: -14.263 flat angles P-C4'-P energy: -7.554 tors. eta vs tors. theta energy: -14.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -88.120928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.120928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.120928 (E_RNA) where: Base-Base interactions energy: -35.192 where: short stacking energy: -35.192 Base-Backbone interact. energy: -0.074 local terms energy: -52.854249 where: bonds (distance) C4'-P energy: -12.552 bonds (distance) P-C4' energy: -14.106 flat angles C4'-P-C4' energy: -11.571 flat angles P-C4'-P energy: -10.712 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: 9, replica: 5 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -89.562842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.562842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.562842 (E_RNA) where: Base-Base interactions energy: -36.656 where: short stacking energy: -26.020 Base-Backbone interact. energy: -0.008 local terms energy: -52.898965 where: bonds (distance) C4'-P energy: -11.186 bonds (distance) P-C4' energy: -11.453 flat angles C4'-P-C4' energy: -14.821 flat angles P-C4'-P energy: -6.347 tors. eta vs tors. theta energy: -9.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -80.584412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.584412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.584412 (E_RNA) where: Base-Base interactions energy: -34.795 where: short stacking energy: -33.327 Base-Backbone interact. energy: -0.105 local terms energy: -45.683683 where: bonds (distance) C4'-P energy: -11.681 bonds (distance) P-C4' energy: -12.018 flat angles C4'-P-C4' energy: -11.343 flat angles P-C4'-P energy: -6.898 tors. eta vs tors. theta energy: -3.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -221.617510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.617510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.617510 (E_RNA) where: Base-Base interactions energy: -152.813 where: short stacking energy: -69.462 Base-Backbone interact. energy: -0.112 local terms energy: -68.692735 where: bonds (distance) C4'-P energy: -13.095 bonds (distance) P-C4' energy: -15.244 flat angles C4'-P-C4' energy: -15.440 flat angles P-C4'-P energy: -7.138 tors. eta vs tors. theta energy: -17.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -206.536001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.536001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.536001 (E_RNA) where: Base-Base interactions energy: -139.102 where: short stacking energy: -57.362 Base-Backbone interact. energy: -1.210 local terms energy: -66.224567 where: bonds (distance) C4'-P energy: -10.478 bonds (distance) P-C4' energy: -14.799 flat angles C4'-P-C4' energy: -14.208 flat angles P-C4'-P energy: -10.540 tors. eta vs tors. theta energy: -16.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -200.395655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.395655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.395655 (E_RNA) where: Base-Base interactions energy: -136.641 where: short stacking energy: -53.598 Base-Backbone interact. energy: -1.041 local terms energy: -62.713352 where: bonds (distance) C4'-P energy: -11.554 bonds (distance) P-C4' energy: -15.878 flat angles C4'-P-C4' energy: -14.992 flat angles P-C4'-P energy: -5.271 tors. eta vs tors. theta energy: -15.019 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: 7 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -204.020011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.020011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.020011 (E_RNA) where: Base-Base interactions energy: -133.609 where: short stacking energy: -60.047 Base-Backbone interact. energy: 0.602 local terms energy: -71.013190 where: bonds (distance) C4'-P energy: -15.942 bonds (distance) P-C4' energy: -14.779 flat angles C4'-P-C4' energy: -16.711 flat angles P-C4'-P energy: -11.097 tors. eta vs tors. theta energy: -12.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -174.436894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.436894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.436894 (E_RNA) where: Base-Base interactions energy: -119.851 where: short stacking energy: -48.169 Base-Backbone interact. energy: -0.150 local terms energy: -54.435822 where: bonds (distance) C4'-P energy: -15.454 bonds (distance) P-C4' energy: -11.135 flat angles C4'-P-C4' energy: -12.171 flat angles P-C4'-P energy: -7.557 tors. eta vs tors. theta energy: -8.119 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: 9 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -169.579436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.579436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.579436 (E_RNA) where: Base-Base interactions energy: -118.438 where: short stacking energy: -54.122 Base-Backbone interact. energy: -0.502 local terms energy: -50.639392 where: bonds (distance) C4'-P energy: -10.762 bonds (distance) P-C4' energy: -14.008 flat angles C4'-P-C4' energy: -10.084 flat angles P-C4'-P energy: -5.599 tors. eta vs tors. theta energy: -10.187 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: 293 Temperature: 1.200000 Total energy: -176.147010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.147010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.147010 (E_RNA) where: Base-Base interactions energy: -111.617 where: short stacking energy: -47.531 Base-Backbone interact. energy: -0.012 local terms energy: -64.518271 where: bonds (distance) C4'-P energy: -15.441 bonds (distance) P-C4' energy: -12.833 flat angles C4'-P-C4' energy: -14.054 flat angles P-C4'-P energy: -10.010 tors. eta vs tors. theta energy: -12.180 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: 5 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -109.152660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.152660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.152660 (E_RNA) where: Base-Base interactions energy: -62.220 where: short stacking energy: -30.366 Base-Backbone interact. energy: -0.083 local terms energy: -46.849306 where: bonds (distance) C4'-P energy: -14.522 bonds (distance) P-C4' energy: -14.858 flat angles C4'-P-C4' energy: -6.074 flat angles P-C4'-P energy: -7.742 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: 9, replica: 3 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -102.222704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.222704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.222704 (E_RNA) where: Base-Base interactions energy: -51.549 where: short stacking energy: -31.661 Base-Backbone interact. energy: -0.073 local terms energy: -50.600289 where: bonds (distance) C4'-P energy: -15.226 bonds (distance) P-C4' energy: -12.099 flat angles C4'-P-C4' energy: -13.428 flat angles P-C4'-P energy: -6.809 tors. eta vs tors. theta energy: -3.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -80.387660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.387660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.387660 (E_RNA) where: Base-Base interactions energy: -30.196 where: short stacking energy: -27.798 Base-Backbone interact. energy: -0.352 local terms energy: -49.839698 where: bonds (distance) C4'-P energy: -11.459 bonds (distance) P-C4' energy: -13.309 flat angles C4'-P-C4' energy: -13.666 flat angles P-C4'-P energy: -6.768 tors. eta vs tors. theta energy: -4.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -218.912325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.912325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.912325 (E_RNA) where: Base-Base interactions energy: -151.044 where: short stacking energy: -61.850 Base-Backbone interact. energy: -0.252 local terms energy: -67.616743 where: bonds (distance) C4'-P energy: -13.722 bonds (distance) P-C4' energy: -15.575 flat angles C4'-P-C4' energy: -12.005 flat angles P-C4'-P energy: -9.032 tors. eta vs tors. theta energy: -17.283 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: 10 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -220.226610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.226610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.226610 (E_RNA) where: Base-Base interactions energy: -153.619 where: short stacking energy: -70.927 Base-Backbone interact. energy: -0.176 local terms energy: -66.431321 where: bonds (distance) C4'-P energy: -16.927 bonds (distance) P-C4' energy: -12.350 flat angles C4'-P-C4' energy: -13.272 flat angles P-C4'-P energy: -7.809 tors. eta vs tors. theta energy: -16.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -207.474196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.474196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.474196 (E_RNA) where: Base-Base interactions energy: -143.474 where: short stacking energy: -62.657 Base-Backbone interact. energy: -0.072 local terms energy: -63.927914 where: bonds (distance) C4'-P energy: -10.415 bonds (distance) P-C4' energy: -13.432 flat angles C4'-P-C4' energy: -16.100 flat angles P-C4'-P energy: -6.821 tors. eta vs tors. theta energy: -17.159 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: 4, replica: 7 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -192.511394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.511394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.511394 (E_RNA) where: Base-Base interactions energy: -129.946 where: short stacking energy: -61.374 Base-Backbone interact. energy: -0.100 local terms energy: -62.465624 where: bonds (distance) C4'-P energy: -11.401 bonds (distance) P-C4' energy: -15.049 flat angles C4'-P-C4' energy: -11.401 flat angles P-C4'-P energy: -7.279 tors. eta vs tors. theta energy: -17.336 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: 9 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -155.256454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.256454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.256454 (E_RNA) where: Base-Base interactions energy: -103.262 where: short stacking energy: -42.301 Base-Backbone interact. energy: -1.145 local terms energy: -50.850189 where: bonds (distance) C4'-P energy: -7.953 bonds (distance) P-C4' energy: -13.742 flat angles C4'-P-C4' energy: -12.749 flat angles P-C4'-P energy: -9.880 tors. eta vs tors. theta energy: -6.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -186.627846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.627846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.627846 (E_RNA) where: Base-Base interactions energy: -127.584 where: short stacking energy: -57.489 Base-Backbone interact. energy: -0.304 local terms energy: -58.739705 where: bonds (distance) C4'-P energy: -10.770 bonds (distance) P-C4' energy: -11.221 flat angles C4'-P-C4' energy: -16.166 flat angles P-C4'-P energy: -10.437 tors. eta vs tors. theta energy: -10.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -170.314035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.314035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.314035 (E_RNA) where: Base-Base interactions energy: -110.626 where: short stacking energy: -44.942 Base-Backbone interact. energy: -0.290 local terms energy: -59.398504 where: bonds (distance) C4'-P energy: -14.687 bonds (distance) P-C4' energy: -12.870 flat angles C4'-P-C4' energy: -14.234 flat angles P-C4'-P energy: -7.125 tors. eta vs tors. theta energy: -10.483 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: 294 Temperature: 1.250000 Total energy: -123.231817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.231817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.231817 (E_RNA) where: Base-Base interactions energy: -68.871 where: short stacking energy: -30.266 Base-Backbone interact. energy: -0.090 local terms energy: -54.270227 where: bonds (distance) C4'-P energy: -11.804 bonds (distance) P-C4' energy: -14.448 flat angles C4'-P-C4' energy: -12.777 flat angles P-C4'-P energy: -11.498 tors. eta vs tors. theta energy: -3.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -104.122048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.122048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.122048 (E_RNA) where: Base-Base interactions energy: -57.204 where: short stacking energy: -21.494 Base-Backbone interact. energy: -0.255 local terms energy: -46.662857 where: bonds (distance) C4'-P energy: -14.484 bonds (distance) P-C4' energy: -13.048 flat angles C4'-P-C4' energy: -10.961 flat angles P-C4'-P energy: -5.327 tors. eta vs tors. theta energy: -2.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -79.135554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.135554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.135554 (E_RNA) where: Base-Base interactions energy: -34.855 where: short stacking energy: -34.855 Base-Backbone interact. energy: -0.068 local terms energy: -44.212858 where: bonds (distance) C4'-P energy: -13.741 bonds (distance) P-C4' energy: -10.366 flat angles C4'-P-C4' energy: -10.385 flat angles P-C4'-P energy: -6.151 tors. eta vs tors. theta energy: -3.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -210.588100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.588100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.588100 (E_RNA) where: Base-Base interactions energy: -155.404 where: short stacking energy: -62.995 Base-Backbone interact. energy: -0.177 local terms energy: -55.007133 where: bonds (distance) C4'-P energy: -9.529 bonds (distance) P-C4' energy: -10.397 flat angles C4'-P-C4' energy: -15.201 flat angles P-C4'-P energy: -4.337 tors. eta vs tors. theta energy: -15.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -224.265005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.265005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.265005 (E_RNA) where: Base-Base interactions energy: -153.362 where: short stacking energy: -63.072 Base-Backbone interact. energy: -0.263 local terms energy: -70.640306 where: bonds (distance) C4'-P energy: -15.486 bonds (distance) P-C4' energy: -15.215 flat angles C4'-P-C4' energy: -14.887 flat angles P-C4'-P energy: -9.792 tors. eta vs tors. theta energy: -15.260 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: 10 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -216.883696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.883696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.883696 (E_RNA) where: Base-Base interactions energy: -151.416 where: short stacking energy: -63.395 Base-Backbone interact. energy: -0.001 local terms energy: -65.466502 where: bonds (distance) C4'-P energy: -14.998 bonds (distance) P-C4' energy: -12.477 flat angles C4'-P-C4' energy: -12.369 flat angles P-C4'-P energy: -7.201 tors. eta vs tors. theta energy: -18.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -187.434753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.434753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.434753 (E_RNA) where: Base-Base interactions energy: -120.753 where: short stacking energy: -58.948 Base-Backbone interact. energy: -0.002 local terms energy: -66.679788 where: bonds (distance) C4'-P energy: -11.699 bonds (distance) P-C4' energy: -12.902 flat angles C4'-P-C4' energy: -16.141 flat angles P-C4'-P energy: -8.822 tors. eta vs tors. theta energy: -17.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -184.577648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.577648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.577648 (E_RNA) where: Base-Base interactions energy: -121.103 where: short stacking energy: -64.457 Base-Backbone interact. energy: -0.030 local terms energy: -63.444239 where: bonds (distance) C4'-P energy: -11.090 bonds (distance) P-C4' energy: -9.495 flat angles C4'-P-C4' energy: -12.011 flat angles P-C4'-P energy: -12.485 tors. eta vs tors. theta energy: -18.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -173.726607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.726607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.726607 (E_RNA) where: Base-Base interactions energy: -116.187 where: short stacking energy: -47.615 Base-Backbone interact. energy: -0.372 local terms energy: -57.167797 where: bonds (distance) C4'-P energy: -12.588 bonds (distance) P-C4' energy: -14.180 flat angles C4'-P-C4' energy: -13.414 flat angles P-C4'-P energy: -9.476 tors. eta vs tors. theta energy: -7.510 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: 6 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -169.315457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.315457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.315457 (E_RNA) where: Base-Base interactions energy: -108.639 where: short stacking energy: -50.492 Base-Backbone interact. energy: -0.098 local terms energy: -60.578193 where: bonds (distance) C4'-P energy: -16.099 bonds (distance) P-C4' energy: -11.671 flat angles C4'-P-C4' energy: -15.259 flat angles P-C4'-P energy: -8.008 tors. eta vs tors. theta energy: -9.540 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: 5 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -157.207846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.207846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.207846 (E_RNA) where: Base-Base interactions energy: -115.560 where: short stacking energy: -39.349 Base-Backbone interact. energy: -0.357 local terms energy: -41.290643 where: bonds (distance) C4'-P energy: -9.542 bonds (distance) P-C4' energy: -14.874 flat angles C4'-P-C4' energy: -7.392 flat angles P-C4'-P energy: -4.876 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: 9, replica: 1 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -89.668419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.668419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.668419 (E_RNA) where: Base-Base interactions energy: -38.533 where: short stacking energy: -23.302 Base-Backbone interact. energy: 3.197 local terms energy: -54.331789 where: bonds (distance) C4'-P energy: -11.347 bonds (distance) P-C4' energy: -13.373 flat angles C4'-P-C4' energy: -14.679 flat angles P-C4'-P energy: -11.554 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: 3 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -88.532798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.532798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.532798 (E_RNA) where: Base-Base interactions energy: -36.413 where: short stacking energy: -36.413 Base-Backbone interact. energy: 1.877 local terms energy: -53.997047 where: bonds (distance) C4'-P energy: -15.962 bonds (distance) P-C4' energy: -11.917 flat angles C4'-P-C4' energy: -15.074 flat angles P-C4'-P energy: -7.456 tors. eta vs tors. theta energy: -3.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -225.431743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.431743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.431743 (E_RNA) where: Base-Base interactions energy: -157.583 where: short stacking energy: -64.326 Base-Backbone interact. energy: -0.247 local terms energy: -67.601626 where: bonds (distance) C4'-P energy: -13.259 bonds (distance) P-C4' energy: -16.175 flat angles C4'-P-C4' energy: -17.306 flat angles P-C4'-P energy: -6.930 tors. eta vs tors. theta energy: -13.932 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: 2, replica: 8 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -198.762809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.762809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.762809 (E_RNA) where: Base-Base interactions energy: -137.417 where: short stacking energy: -60.496 Base-Backbone interact. energy: -0.828 local terms energy: -60.518339 where: bonds (distance) C4'-P energy: -13.300 bonds (distance) P-C4' energy: -11.706 flat angles C4'-P-C4' energy: -13.293 flat angles P-C4'-P energy: -9.432 tors. eta vs tors. theta energy: -12.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -207.440685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.440685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.440685 (E_RNA) where: Base-Base interactions energy: -145.209 where: short stacking energy: -57.045 Base-Backbone interact. energy: -0.152 local terms energy: -62.079595 where: bonds (distance) C4'-P energy: -11.935 bonds (distance) P-C4' energy: -13.215 flat angles C4'-P-C4' energy: -13.859 flat angles P-C4'-P energy: -9.742 tors. eta vs tors. theta energy: -13.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -189.769768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.769768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.769768 (E_RNA) where: Base-Base interactions energy: -124.208 where: short stacking energy: -58.504 Base-Backbone interact. energy: -0.156 local terms energy: -65.406226 where: bonds (distance) C4'-P energy: -12.460 bonds (distance) P-C4' energy: -12.485 flat angles C4'-P-C4' energy: -16.197 flat angles P-C4'-P energy: -11.429 tors. eta vs tors. theta energy: -12.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -190.047904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.047904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.047904 (E_RNA) where: Base-Base interactions energy: -124.132 where: short stacking energy: -62.618 Base-Backbone interact. energy: -0.205 local terms energy: -65.711131 where: bonds (distance) C4'-P energy: -12.928 bonds (distance) P-C4' energy: -14.103 flat angles C4'-P-C4' energy: -13.006 flat angles P-C4'-P energy: -9.897 tors. eta vs tors. theta energy: -15.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -191.397530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.397530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.397530 (E_RNA) where: Base-Base interactions energy: -127.885 where: short stacking energy: -61.601 Base-Backbone interact. energy: -0.004 local terms energy: -63.508428 where: bonds (distance) C4'-P energy: -12.034 bonds (distance) P-C4' energy: -13.852 flat angles C4'-P-C4' energy: -15.120 flat angles P-C4'-P energy: -6.396 tors. eta vs tors. theta energy: -16.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -178.940603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.940603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.940603 (E_RNA) where: Base-Base interactions energy: -125.413 where: short stacking energy: -46.472 Base-Backbone interact. energy: -0.220 local terms energy: -53.307245 where: bonds (distance) C4'-P energy: -11.864 bonds (distance) P-C4' energy: -14.127 flat angles C4'-P-C4' energy: -14.184 flat angles P-C4'-P energy: -5.359 tors. eta vs tors. theta energy: -7.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -164.799722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.799722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.799722 (E_RNA) where: Base-Base interactions energy: -103.562 where: short stacking energy: -46.653 Base-Backbone interact. energy: -0.216 local terms energy: -61.021988 where: bonds (distance) C4'-P energy: -13.301 bonds (distance) P-C4' energy: -12.843 flat angles C4'-P-C4' energy: -14.325 flat angles P-C4'-P energy: -9.525 tors. eta vs tors. theta energy: -11.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -97.286925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.286925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.286925 (E_RNA) where: Base-Base interactions energy: -36.568 where: short stacking energy: -36.668 Base-Backbone interact. energy: 0.808 local terms energy: -61.526697 where: bonds (distance) C4'-P energy: -13.881 bonds (distance) P-C4' energy: -15.716 flat angles C4'-P-C4' energy: -14.057 flat angles P-C4'-P energy: -9.394 tors. eta vs tors. theta energy: -8.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -79.335711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.335711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.335711 (E_RNA) where: Base-Base interactions energy: -32.325 where: short stacking energy: -27.440 Base-Backbone interact. energy: 2.667 local terms energy: -49.678146 where: bonds (distance) C4'-P energy: -10.083 bonds (distance) P-C4' energy: -16.861 flat angles C4'-P-C4' energy: -11.630 flat angles P-C4'-P energy: -7.865 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: 1, replica: 4 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -219.842369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.842369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.842369 (E_RNA) where: Base-Base interactions energy: -157.093 where: short stacking energy: -64.716 Base-Backbone interact. energy: -0.870 local terms energy: -61.879728 where: bonds (distance) C4'-P energy: -14.405 bonds (distance) P-C4' energy: -8.448 flat angles C4'-P-C4' energy: -14.728 flat angles P-C4'-P energy: -6.548 tors. eta vs tors. theta energy: -17.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -220.558645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.558645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.558645 (E_RNA) where: Base-Base interactions energy: -154.050 where: short stacking energy: -61.535 Base-Backbone interact. energy: -0.102 local terms energy: -66.407170 where: bonds (distance) C4'-P energy: -11.172 bonds (distance) P-C4' energy: -15.266 flat angles C4'-P-C4' energy: -15.654 flat angles P-C4'-P energy: -11.880 tors. eta vs tors. theta energy: -12.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -204.924133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.924133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.924133 (E_RNA) where: Base-Base interactions energy: -138.422 where: short stacking energy: -52.609 Base-Backbone interact. energy: 1.295 local terms energy: -67.796503 where: bonds (distance) C4'-P energy: -14.356 bonds (distance) P-C4' energy: -15.033 flat angles C4'-P-C4' energy: -13.797 flat angles P-C4'-P energy: -11.128 tors. eta vs tors. theta energy: -13.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -195.617269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.617269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.617269 (E_RNA) where: Base-Base interactions energy: -127.513 where: short stacking energy: -62.101 Base-Backbone interact. energy: -0.003 local terms energy: -68.100981 where: bonds (distance) C4'-P energy: -15.043 bonds (distance) P-C4' energy: -14.590 flat angles C4'-P-C4' energy: -13.772 flat angles P-C4'-P energy: -9.132 tors. eta vs tors. theta energy: -15.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -174.067113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.067113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.067113 (E_RNA) where: Base-Base interactions energy: -115.387 where: short stacking energy: -47.278 Base-Backbone interact. energy: -0.431 local terms energy: -58.248890 where: bonds (distance) C4'-P energy: -12.941 bonds (distance) P-C4' energy: -14.060 flat angles C4'-P-C4' energy: -13.475 flat angles P-C4'-P energy: -5.847 tors. eta vs tors. theta energy: -11.925 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: 6, replica: 5 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -179.758141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.758141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.758141 (E_RNA) where: Base-Base interactions energy: -111.559 where: short stacking energy: -54.244 Base-Backbone interact. energy: -0.096 local terms energy: -68.102854 where: bonds (distance) C4'-P energy: -12.851 bonds (distance) P-C4' energy: -16.622 flat angles C4'-P-C4' energy: -13.916 flat angles P-C4'-P energy: -8.191 tors. eta vs tors. theta energy: -16.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -179.408020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.408020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.408020 (E_RNA) where: Base-Base interactions energy: -117.583 where: short stacking energy: -52.993 Base-Backbone interact. energy: -0.044 local terms energy: -61.780783 where: bonds (distance) C4'-P energy: -6.962 bonds (distance) P-C4' energy: -14.265 flat angles C4'-P-C4' energy: -14.299 flat angles P-C4'-P energy: -12.751 tors. eta vs tors. theta energy: -13.503 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: 6 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -161.026570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.026570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.026570 (E_RNA) where: Base-Base interactions energy: -110.068 where: short stacking energy: -64.993 Base-Backbone interact. energy: -0.126 local terms energy: -50.832943 where: bonds (distance) C4'-P energy: -10.129 bonds (distance) P-C4' energy: -8.751 flat angles C4'-P-C4' energy: -12.630 flat angles P-C4'-P energy: -4.767 tors. eta vs tors. theta energy: -14.555 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: 3 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -79.374839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.374839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.374839 (E_RNA) where: Base-Base interactions energy: -27.719 where: short stacking energy: -27.719 Base-Backbone interact. energy: -0.241 local terms energy: -51.414010 where: bonds (distance) C4'-P energy: -13.763 bonds (distance) P-C4' energy: -17.309 flat angles C4'-P-C4' energy: -13.976 flat angles P-C4'-P energy: -7.907 tors. eta vs tors. theta energy: 1.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -83.484490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.484490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.484490 (E_RNA) where: Base-Base interactions energy: -43.053 where: short stacking energy: -20.013 Base-Backbone interact. energy: -0.277 local terms energy: -40.154557 where: bonds (distance) C4'-P energy: -9.246 bonds (distance) P-C4' energy: -13.718 flat angles C4'-P-C4' energy: -12.310 flat angles P-C4'-P energy: -7.538 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: 10 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -217.619294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.619294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.619294 (E_RNA) where: Base-Base interactions energy: -148.537 where: short stacking energy: -60.877 Base-Backbone interact. energy: 0.286 local terms energy: -69.368308 where: bonds (distance) C4'-P energy: -16.535 bonds (distance) P-C4' energy: -12.953 flat angles C4'-P-C4' energy: -15.379 flat angles P-C4'-P energy: -6.894 tors. eta vs tors. theta energy: -17.608 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: 4 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -219.792598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.792598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.792598 (E_RNA) where: Base-Base interactions energy: -153.797 where: short stacking energy: -62.748 Base-Backbone interact. energy: -0.575 local terms energy: -65.421099 where: bonds (distance) C4'-P energy: -16.001 bonds (distance) P-C4' energy: -16.446 flat angles C4'-P-C4' energy: -12.359 flat angles P-C4'-P energy: -7.364 tors. eta vs tors. theta energy: -13.252 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: 8 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -212.631858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.631858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.631858 (E_RNA) where: Base-Base interactions energy: -143.920 where: short stacking energy: -61.481 Base-Backbone interact. energy: -1.140 local terms energy: -67.571692 where: bonds (distance) C4'-P energy: -14.563 bonds (distance) P-C4' energy: -11.717 flat angles C4'-P-C4' energy: -16.335 flat angles P-C4'-P energy: -8.856 tors. eta vs tors. theta energy: -16.101 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: 298 Temperature: 1.050000 Total energy: -187.193493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.193493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.193493 (E_RNA) where: Base-Base interactions energy: -115.965 where: short stacking energy: -55.899 Base-Backbone interact. energy: -0.180 local terms energy: -71.048378 where: bonds (distance) C4'-P energy: -12.284 bonds (distance) P-C4' energy: -15.569 flat angles C4'-P-C4' energy: -17.497 flat angles P-C4'-P energy: -11.179 tors. eta vs tors. theta energy: -14.520 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: 5 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -189.722553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.722553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.722553 (E_RNA) where: Base-Base interactions energy: -124.474 where: short stacking energy: -62.883 Base-Backbone interact. energy: -0.049 local terms energy: -65.200364 where: bonds (distance) C4'-P energy: -9.933 bonds (distance) P-C4' energy: -10.818 flat angles C4'-P-C4' energy: -15.765 flat angles P-C4'-P energy: -8.450 tors. eta vs tors. theta energy: -20.234 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: 7 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -168.022019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.022019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.022019 (E_RNA) where: Base-Base interactions energy: -104.948 where: short stacking energy: -49.541 Base-Backbone interact. energy: -0.747 local terms energy: -62.326233 where: bonds (distance) C4'-P energy: -13.686 bonds (distance) P-C4' energy: -14.391 flat angles C4'-P-C4' energy: -12.724 flat angles P-C4'-P energy: -11.707 tors. eta vs tors. theta energy: -9.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -167.153541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.153541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.153541 (E_RNA) where: Base-Base interactions energy: -119.128 where: short stacking energy: -49.937 Base-Backbone interact. energy: -0.240 local terms energy: -47.785820 where: bonds (distance) C4'-P energy: -8.558 bonds (distance) P-C4' energy: -15.169 flat angles C4'-P-C4' energy: -9.860 flat angles P-C4'-P energy: -3.669 tors. eta vs tors. theta energy: -10.529 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: 2 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -165.074983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.074983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.074983 (E_RNA) where: Base-Base interactions energy: -108.695 where: short stacking energy: -49.491 Base-Backbone interact. energy: -0.002 local terms energy: -56.378162 where: bonds (distance) C4'-P energy: -12.298 bonds (distance) P-C4' energy: -11.552 flat angles C4'-P-C4' energy: -11.369 flat angles P-C4'-P energy: -9.012 tors. eta vs tors. theta energy: -12.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -81.729480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.729480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.729480 (E_RNA) where: Base-Base interactions energy: -32.567 where: short stacking energy: -24.163 Base-Backbone interact. energy: -1.168 local terms energy: -47.994589 where: bonds (distance) C4'-P energy: -11.889 bonds (distance) P-C4' energy: -14.706 flat angles C4'-P-C4' energy: -8.185 flat angles P-C4'-P energy: -11.138 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: 10, replica: 1 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -77.370543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.370543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.370543 (E_RNA) where: Base-Base interactions energy: -42.753 where: short stacking energy: -23.670 Base-Backbone interact. energy: -0.525 local terms energy: -34.092627 where: bonds (distance) C4'-P energy: -10.522 bonds (distance) P-C4' energy: -11.271 flat angles C4'-P-C4' energy: -6.938 flat angles P-C4'-P energy: -4.245 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: 1, replica: 10 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -217.522445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.522445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.522445 (E_RNA) where: Base-Base interactions energy: -154.094 where: short stacking energy: -66.786 Base-Backbone interact. energy: -0.169 local terms energy: -63.258832 where: bonds (distance) C4'-P energy: -9.494 bonds (distance) P-C4' energy: -16.833 flat angles C4'-P-C4' energy: -13.851 flat angles P-C4'-P energy: -6.355 tors. eta vs tors. theta energy: -16.725 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: 4 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -206.997046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.997046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.997046 (E_RNA) where: Base-Base interactions energy: -138.965 where: short stacking energy: -57.297 Base-Backbone interact. energy: -0.283 local terms energy: -67.748236 where: bonds (distance) C4'-P energy: -13.703 bonds (distance) P-C4' energy: -15.141 flat angles C4'-P-C4' energy: -13.382 flat angles P-C4'-P energy: -9.654 tors. eta vs tors. theta energy: -15.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -202.296106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.296106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.296106 (E_RNA) where: Base-Base interactions energy: -131.144 where: short stacking energy: -59.838 Base-Backbone interact. energy: -0.114 local terms energy: -71.038771 where: bonds (distance) C4'-P energy: -16.944 bonds (distance) P-C4' energy: -12.246 flat angles C4'-P-C4' energy: -17.293 flat angles P-C4'-P energy: -8.948 tors. eta vs tors. theta energy: -15.608 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: 5 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -199.544090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.544090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.544090 (E_RNA) where: Base-Base interactions energy: -141.774 where: short stacking energy: -59.088 Base-Backbone interact. energy: 0.302 local terms energy: -58.071759 where: bonds (distance) C4'-P energy: -11.707 bonds (distance) P-C4' energy: -14.318 flat angles C4'-P-C4' energy: -10.989 flat angles P-C4'-P energy: -7.905 tors. eta vs tors. theta energy: -13.154 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: 9 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -171.511619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.511619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.511619 (E_RNA) where: Base-Base interactions energy: -107.100 where: short stacking energy: -43.025 Base-Backbone interact. energy: -0.421 local terms energy: -63.990311 where: bonds (distance) C4'-P energy: -11.439 bonds (distance) P-C4' energy: -16.555 flat angles C4'-P-C4' energy: -14.579 flat angles P-C4'-P energy: -10.615 tors. eta vs tors. theta energy: -10.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -186.962350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.962350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.962350 (E_RNA) where: Base-Base interactions energy: -117.916 where: short stacking energy: -52.520 Base-Backbone interact. energy: -0.523 local terms energy: -68.523900 where: bonds (distance) C4'-P energy: -15.921 bonds (distance) P-C4' energy: -14.157 flat angles C4'-P-C4' energy: -15.574 flat angles P-C4'-P energy: -9.767 tors. eta vs tors. theta energy: -13.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -167.074653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.074653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.074653 (E_RNA) where: Base-Base interactions energy: -112.096 where: short stacking energy: -46.941 Base-Backbone interact. energy: -0.013 local terms energy: -54.965628 where: bonds (distance) C4'-P energy: -12.857 bonds (distance) P-C4' energy: -12.666 flat angles C4'-P-C4' energy: -11.454 flat angles P-C4'-P energy: -9.610 tors. eta vs tors. theta energy: -8.378 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: 2 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -166.497287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.497287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.497287 (E_RNA) where: Base-Base interactions energy: -116.382 where: short stacking energy: -42.260 Base-Backbone interact. energy: -0.455 local terms energy: -49.660102 where: bonds (distance) C4'-P energy: -11.897 bonds (distance) P-C4' energy: -11.156 flat angles C4'-P-C4' energy: -10.067 flat angles P-C4'-P energy: -8.071 tors. eta vs tors. theta energy: -8.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -87.771682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.771682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.771682 (E_RNA) where: Base-Base interactions energy: -39.882 where: short stacking energy: -35.826 Base-Backbone interact. energy: -0.245 local terms energy: -47.644411 where: bonds (distance) C4'-P energy: -13.004 bonds (distance) P-C4' energy: -10.656 flat angles C4'-P-C4' energy: -13.777 flat angles P-C4'-P energy: -7.772 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: 299 Temperature: 1.350000 Total energy: -75.475281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.475281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.475281 (E_RNA) where: Base-Base interactions energy: -29.872 where: short stacking energy: -26.085 Base-Backbone interact. energy: 0.600 local terms energy: -46.202948 where: bonds (distance) C4'-P energy: -14.002 bonds (distance) P-C4' energy: -12.726 flat angles C4'-P-C4' energy: -7.479 flat angles P-C4'-P energy: -7.013 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: 1, replica: 10 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -222.109897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.109897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.109897 (E_RNA) where: Base-Base interactions energy: -149.366 where: short stacking energy: -64.430 Base-Backbone interact. energy: -0.731 local terms energy: -72.012178 where: bonds (distance) C4'-P energy: -16.153 bonds (distance) P-C4' energy: -15.504 flat angles C4'-P-C4' energy: -13.169 flat angles P-C4'-P energy: -11.648 tors. eta vs tors. theta energy: -15.538 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: 4 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -212.881835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.881835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.881835 (E_RNA) where: Base-Base interactions energy: -140.497 where: short stacking energy: -62.748 Base-Backbone interact. energy: -0.110 local terms energy: -72.274628 where: bonds (distance) C4'-P energy: -15.202 bonds (distance) P-C4' energy: -12.612 flat angles C4'-P-C4' energy: -16.684 flat angles P-C4'-P energy: -10.972 tors. eta vs tors. theta energy: -16.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -199.478150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.478150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.478150 (E_RNA) where: Base-Base interactions energy: -142.693 where: short stacking energy: -59.467 Base-Backbone interact. energy: -0.123 local terms energy: -56.662475 where: bonds (distance) C4'-P energy: -12.141 bonds (distance) P-C4' energy: -14.771 flat angles C4'-P-C4' energy: -6.168 flat angles P-C4'-P energy: -7.472 tors. eta vs tors. theta energy: -16.110 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: 5 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -185.049158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.049158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.049158 (E_RNA) where: Base-Base interactions energy: -115.745 where: short stacking energy: -53.428 Base-Backbone interact. energy: -0.220 local terms energy: -69.084678 where: bonds (distance) C4'-P energy: -14.878 bonds (distance) P-C4' energy: -16.103 flat angles C4'-P-C4' energy: -12.905 flat angles P-C4'-P energy: -12.951 tors. eta vs tors. theta energy: -12.247 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: 7 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -181.810904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.810904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.810904 (E_RNA) where: Base-Base interactions energy: -120.949 where: short stacking energy: -53.626 Base-Backbone interact. energy: -0.032 local terms energy: -60.830010 where: bonds (distance) C4'-P energy: -11.889 bonds (distance) P-C4' energy: -10.840 flat angles C4'-P-C4' energy: -14.552 flat angles P-C4'-P energy: -10.881 tors. eta vs tors. theta energy: -12.667 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: 9 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -178.301427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.301427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.301427 (E_RNA) where: Base-Base interactions energy: -112.888 where: short stacking energy: -55.999 Base-Backbone interact. energy: -0.051 local terms energy: -65.361988 where: bonds (distance) C4'-P energy: -14.519 bonds (distance) P-C4' energy: -12.207 flat angles C4'-P-C4' energy: -11.473 flat angles P-C4'-P energy: -10.613 tors. eta vs tors. theta energy: -16.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -174.110872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.110872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.110872 (E_RNA) where: Base-Base interactions energy: -116.002 where: short stacking energy: -52.103 Base-Backbone interact. energy: -0.403 local terms energy: -57.706334 where: bonds (distance) C4'-P energy: -13.648 bonds (distance) P-C4' energy: -11.694 flat angles C4'-P-C4' energy: -9.377 flat angles P-C4'-P energy: -6.930 tors. eta vs tors. theta energy: -16.057 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: 2 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -128.740395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.740395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.740395 (E_RNA) where: Base-Base interactions energy: -74.754 where: short stacking energy: -40.506 Base-Backbone interact. energy: -0.218 local terms energy: -53.768930 where: bonds (distance) C4'-P energy: -12.449 bonds (distance) P-C4' energy: -13.548 flat angles C4'-P-C4' energy: -9.957 flat angles P-C4'-P energy: -8.204 tors. eta vs tors. theta energy: -9.610 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: 1 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -76.843370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.843370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.843370 (E_RNA) where: Base-Base interactions energy: -32.864 where: short stacking energy: -21.253 Base-Backbone interact. energy: -0.066 local terms energy: -43.913444 where: bonds (distance) C4'-P energy: -10.406 bonds (distance) P-C4' energy: -10.845 flat angles C4'-P-C4' energy: -14.623 flat angles P-C4'-P energy: -7.910 tors. eta vs tors. theta energy: -0.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -75.440372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.440372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.440372 (E_RNA) where: Base-Base interactions energy: -21.536 where: short stacking energy: -20.275 Base-Backbone interact. energy: -0.053 local terms energy: -53.851582 where: bonds (distance) C4'-P energy: -15.272 bonds (distance) P-C4' energy: -14.134 flat angles C4'-P-C4' energy: -12.286 flat angles P-C4'-P energy: -8.826 tors. eta vs tors. theta energy: -3.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -224.909858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.909858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.909858 (E_RNA) where: Base-Base interactions energy: -153.731 where: short stacking energy: -66.538 Base-Backbone interact. energy: -0.211 local terms energy: -70.967030 where: bonds (distance) C4'-P energy: -13.939 bonds (distance) P-C4' energy: -16.643 flat angles C4'-P-C4' energy: -12.626 flat angles P-C4'-P energy: -11.442 tors. eta vs tors. theta energy: -16.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -207.902833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.902833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.902833 (E_RNA) where: Base-Base interactions energy: -135.864 where: short stacking energy: -60.538 Base-Backbone interact. energy: -0.100 local terms energy: -71.938355 where: bonds (distance) C4'-P energy: -12.481 bonds (distance) P-C4' energy: -16.741 flat angles C4'-P-C4' energy: -14.465 flat angles P-C4'-P energy: -9.481 tors. eta vs tors. theta energy: -18.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -193.198652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.198652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.198652 (E_RNA) where: Base-Base interactions energy: -128.192 where: short stacking energy: -51.009 Base-Backbone interact. energy: 1.420 local terms energy: -66.426668 where: bonds (distance) C4'-P energy: -15.479 bonds (distance) P-C4' energy: -16.414 flat angles C4'-P-C4' energy: -14.098 flat angles P-C4'-P energy: -7.564 tors. eta vs tors. theta energy: -12.872 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: 7 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -195.014683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.014683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.014683 (E_RNA) where: Base-Base interactions energy: -125.393 where: short stacking energy: -57.020 Base-Backbone interact. energy: -0.141 local terms energy: -69.481005 where: bonds (distance) C4'-P energy: -15.706 bonds (distance) P-C4' energy: -15.276 flat angles C4'-P-C4' energy: -14.482 flat angles P-C4'-P energy: -10.342 tors. eta vs tors. theta energy: -13.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -184.635824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.635824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.635824 (E_RNA) where: Base-Base interactions energy: -123.309 where: short stacking energy: -59.001 Base-Backbone interact. energy: -0.045 local terms energy: -61.281288 where: bonds (distance) C4'-P energy: -13.604 bonds (distance) P-C4' energy: -9.382 flat angles C4'-P-C4' energy: -15.174 flat angles P-C4'-P energy: -8.354 tors. eta vs tors. theta energy: -14.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -170.697290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.697290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.697290 (E_RNA) where: Base-Base interactions energy: -110.437 where: short stacking energy: -43.469 Base-Backbone interact. energy: -0.441 local terms energy: -59.819057 where: bonds (distance) C4'-P energy: -14.299 bonds (distance) P-C4' energy: -13.315 flat angles C4'-P-C4' energy: -14.682 flat angles P-C4'-P energy: -9.065 tors. eta vs tors. theta energy: -8.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -131.129959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.129959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.129959 (E_RNA) where: Base-Base interactions energy: -87.458 where: short stacking energy: -32.240 Base-Backbone interact. energy: -0.234 local terms energy: -43.437052 where: bonds (distance) C4'-P energy: -10.524 bonds (distance) P-C4' energy: -15.766 flat angles C4'-P-C4' energy: -12.027 flat angles P-C4'-P energy: -2.356 tors. eta vs tors. theta energy: -2.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -125.756363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.756363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.756363 (E_RNA) where: Base-Base interactions energy: -72.733 where: short stacking energy: -31.521 Base-Backbone interact. energy: -0.499 local terms energy: -52.523603 where: bonds (distance) C4'-P energy: -16.703 bonds (distance) P-C4' energy: -10.386 flat angles C4'-P-C4' energy: -12.551 flat angles P-C4'-P energy: -7.092 tors. eta vs tors. theta energy: -5.792 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: 1 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -95.555332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.555332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.555332 (E_RNA) where: Base-Base interactions energy: -45.486 where: short stacking energy: -35.703 Base-Backbone interact. energy: -0.028 local terms energy: -50.041422 where: bonds (distance) C4'-P energy: -13.454 bonds (distance) P-C4' energy: -15.336 flat angles C4'-P-C4' energy: -11.675 flat angles P-C4'-P energy: -4.906 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: 10, replica: 3 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -68.343421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.343421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.343421 (E_RNA) where: Base-Base interactions energy: -31.452 where: short stacking energy: -23.218 Base-Backbone interact. energy: -0.055 local terms energy: -36.836715 where: bonds (distance) C4'-P energy: -13.333 bonds (distance) P-C4' energy: -4.304 flat angles C4'-P-C4' energy: -9.030 flat angles P-C4'-P energy: -7.004 tors. eta vs tors. theta energy: -3.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -226.463236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -226.463236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -226.463236 (E_RNA) where: Base-Base interactions energy: -154.390 where: short stacking energy: -62.212 Base-Backbone interact. energy: -0.102 local terms energy: -71.971462 where: bonds (distance) C4'-P energy: -12.878 bonds (distance) P-C4' energy: -16.461 flat angles C4'-P-C4' energy: -16.230 flat angles P-C4'-P energy: -8.870 tors. eta vs tors. theta energy: -17.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -211.990405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.990405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.990405 (E_RNA) where: Base-Base interactions energy: -140.446 where: short stacking energy: -59.430 Base-Backbone interact. energy: -1.214 local terms energy: -70.330441 where: bonds (distance) C4'-P energy: -13.757 bonds (distance) P-C4' energy: -14.739 flat angles C4'-P-C4' energy: -15.893 flat angles P-C4'-P energy: -9.569 tors. eta vs tors. theta energy: -16.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -199.659546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.659546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.659546 (E_RNA) where: Base-Base interactions energy: -135.592 where: short stacking energy: -61.459 Base-Backbone interact. energy: -0.424 local terms energy: -63.643500 where: bonds (distance) C4'-P energy: -9.902 bonds (distance) P-C4' energy: -12.172 flat angles C4'-P-C4' energy: -14.936 flat angles P-C4'-P energy: -9.555 tors. eta vs tors. theta energy: -17.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -202.221085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.221085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.221085 (E_RNA) where: Base-Base interactions energy: -131.499 where: short stacking energy: -54.208 Base-Backbone interact. energy: -0.635 local terms energy: -70.087535 where: bonds (distance) C4'-P energy: -13.466 bonds (distance) P-C4' energy: -15.677 flat angles C4'-P-C4' energy: -17.564 flat angles P-C4'-P energy: -8.528 tors. eta vs tors. theta energy: -14.853 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: 5, replica: 5 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -185.803010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.803010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.803010 (E_RNA) where: Base-Base interactions energy: -120.859 where: short stacking energy: -50.105 Base-Backbone interact. energy: -0.107 local terms energy: -64.836266 where: bonds (distance) C4'-P energy: -12.642 bonds (distance) P-C4' energy: -13.309 flat angles C4'-P-C4' energy: -13.153 flat angles P-C4'-P energy: -11.336 tors. eta vs tors. theta energy: -14.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -182.314397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.314397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.314397 (E_RNA) where: Base-Base interactions energy: -124.051 where: short stacking energy: -50.124 Base-Backbone interact. energy: -0.571 local terms energy: -57.692405 where: bonds (distance) C4'-P energy: -16.079 bonds (distance) P-C4' energy: -13.079 flat angles C4'-P-C4' energy: -10.783 flat angles P-C4'-P energy: -7.472 tors. eta vs tors. theta energy: -10.280 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: 2 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -155.899504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.899504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.899504 (E_RNA) where: Base-Base interactions energy: -104.877 where: short stacking energy: -55.763 Base-Backbone interact. energy: -0.023 local terms energy: -50.999996 where: bonds (distance) C4'-P energy: -11.536 bonds (distance) P-C4' energy: -14.156 flat angles C4'-P-C4' energy: -12.456 flat angles P-C4'-P energy: -0.695 tors. eta vs tors. theta energy: -12.157 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: 6 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -133.517925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.517925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.517925 (E_RNA) where: Base-Base interactions energy: -79.788 where: short stacking energy: -32.013 Base-Backbone interact. energy: -1.007 local terms energy: -52.723391 where: bonds (distance) C4'-P energy: -13.243 bonds (distance) P-C4' energy: -15.588 flat angles C4'-P-C4' energy: -14.625 flat angles P-C4'-P energy: -6.231 tors. eta vs tors. theta energy: -3.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -88.668250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.668250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.668250 (E_RNA) where: Base-Base interactions energy: -51.556 where: short stacking energy: -21.184 Base-Backbone interact. energy: 0.699 local terms energy: -37.810530 where: bonds (distance) C4'-P energy: -11.172 bonds (distance) P-C4' energy: -11.327 flat angles C4'-P-C4' energy: -10.869 flat angles P-C4'-P energy: -3.655 tors. eta vs tors. theta energy: -0.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -71.644367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.644367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.644367 (E_RNA) where: Base-Base interactions energy: -22.262 where: short stacking energy: -18.152 Base-Backbone interact. energy: -0.168 local terms energy: -49.214024 where: bonds (distance) C4'-P energy: -14.513 bonds (distance) P-C4' energy: -11.095 flat angles C4'-P-C4' energy: -12.197 flat angles P-C4'-P energy: -9.641 tors. eta vs tors. theta energy: -1.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -217.158988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.158988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.158988 (E_RNA) where: Base-Base interactions energy: -156.892 where: short stacking energy: -68.547 Base-Backbone interact. energy: 0.018 local terms energy: -60.285463 where: bonds (distance) C4'-P energy: -11.827 bonds (distance) P-C4' energy: -15.012 flat angles C4'-P-C4' energy: -11.627 flat angles P-C4'-P energy: -4.859 tors. eta vs tors. theta energy: -16.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -218.498371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.498371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.498371 (E_RNA) where: Base-Base interactions energy: -155.054 where: short stacking energy: -66.795 Base-Backbone interact. energy: -0.786 local terms energy: -62.658355 where: bonds (distance) C4'-P energy: -13.561 bonds (distance) P-C4' energy: -12.929 flat angles C4'-P-C4' energy: -12.068 flat angles P-C4'-P energy: -7.265 tors. eta vs tors. theta energy: -16.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -202.541135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.541135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.541135 (E_RNA) where: Base-Base interactions energy: -139.688 where: short stacking energy: -60.282 Base-Backbone interact. energy: -0.870 local terms energy: -61.982886 where: bonds (distance) C4'-P energy: -11.612 bonds (distance) P-C4' energy: -12.889 flat angles C4'-P-C4' energy: -14.640 flat angles P-C4'-P energy: -9.356 tors. eta vs tors. theta energy: -13.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -197.417451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.417451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.417451 (E_RNA) where: Base-Base interactions energy: -134.409 where: short stacking energy: -68.908 Base-Backbone interact. energy: -0.001 local terms energy: -63.008431 where: bonds (distance) C4'-P energy: -10.482 bonds (distance) P-C4' energy: -10.143 flat angles C4'-P-C4' energy: -14.709 flat angles P-C4'-P energy: -10.737 tors. eta vs tors. theta energy: -16.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -177.214994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.214994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.214994 (E_RNA) where: Base-Base interactions energy: -112.078 where: short stacking energy: -50.392 Base-Backbone interact. energy: -0.110 local terms energy: -65.026925 where: bonds (distance) C4'-P energy: -15.110 bonds (distance) P-C4' energy: -14.293 flat angles C4'-P-C4' energy: -14.956 flat angles P-C4'-P energy: -4.377 tors. eta vs tors. theta energy: -16.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -168.269115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.269115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.269115 (E_RNA) where: Base-Base interactions energy: -112.496 where: short stacking energy: -51.047 Base-Backbone interact. energy: -0.474 local terms energy: -55.298257 where: bonds (distance) C4'-P energy: -12.362 bonds (distance) P-C4' energy: -9.329 flat angles C4'-P-C4' energy: -13.757 flat angles P-C4'-P energy: -9.565 tors. eta vs tors. theta energy: -10.285 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: 9 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -194.617273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.617273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.617273 (E_RNA) where: Base-Base interactions energy: -127.826 where: short stacking energy: -58.929 Base-Backbone interact. energy: -0.861 local terms energy: -65.929966 where: bonds (distance) C4'-P energy: -12.850 bonds (distance) P-C4' energy: -11.444 flat angles C4'-P-C4' energy: -12.974 flat angles P-C4'-P energy: -11.142 tors. eta vs tors. theta energy: -17.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -137.355998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.355998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.355998 (E_RNA) where: Base-Base interactions energy: -80.341 where: short stacking energy: -48.362 Base-Backbone interact. energy: 0.211 local terms energy: -57.225461 where: bonds (distance) C4'-P energy: -13.271 bonds (distance) P-C4' energy: -14.098 flat angles C4'-P-C4' energy: -11.850 flat angles P-C4'-P energy: -6.475 tors. eta vs tors. theta energy: -11.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -86.195081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.195081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.195081 (E_RNA) where: Base-Base interactions energy: -35.951 where: short stacking energy: -35.894 Base-Backbone interact. energy: -0.249 local terms energy: -49.995258 where: bonds (distance) C4'-P energy: -11.786 bonds (distance) P-C4' energy: -13.650 flat angles C4'-P-C4' energy: -10.903 flat angles P-C4'-P energy: -7.063 tors. eta vs tors. theta energy: -6.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -71.871038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.871038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.871038 (E_RNA) where: Base-Base interactions energy: -17.464 where: short stacking energy: -17.464 Base-Backbone interact. energy: -0.109 local terms energy: -54.298937 where: bonds (distance) C4'-P energy: -13.243 bonds (distance) P-C4' energy: -10.872 flat angles C4'-P-C4' energy: -10.742 flat angles P-C4'-P energy: -12.531 tors. eta vs tors. theta energy: -6.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -225.376296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.376296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.376296 (E_RNA) where: Base-Base interactions energy: -163.083 where: short stacking energy: -66.914 Base-Backbone interact. energy: -0.236 local terms energy: -62.057293 where: bonds (distance) C4'-P energy: -16.153 bonds (distance) P-C4' energy: -11.863 flat angles C4'-P-C4' energy: -10.451 flat angles P-C4'-P energy: -10.328 tors. eta vs tors. theta energy: -13.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -225.009256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.009256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.009256 (E_RNA) where: Base-Base interactions energy: -155.960 where: short stacking energy: -69.138 Base-Backbone interact. energy: -0.170 local terms energy: -68.879087 where: bonds (distance) C4'-P energy: -16.223 bonds (distance) P-C4' energy: -10.793 flat angles C4'-P-C4' energy: -15.445 flat angles P-C4'-P energy: -9.635 tors. eta vs tors. theta energy: -16.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -201.172465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.172465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.172465 (E_RNA) where: Base-Base interactions energy: -131.838 where: short stacking energy: -50.894 Base-Backbone interact. energy: -0.595 local terms energy: -68.739608 where: bonds (distance) C4'-P energy: -15.333 bonds (distance) P-C4' energy: -16.417 flat angles C4'-P-C4' energy: -15.130 flat angles P-C4'-P energy: -10.810 tors. eta vs tors. theta energy: -11.049 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: 4, replica: 8 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -190.177807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.177807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.177807 (E_RNA) where: Base-Base interactions energy: -133.962 where: short stacking energy: -50.854 Base-Backbone interact. energy: -0.070 local terms energy: -56.146173 where: bonds (distance) C4'-P energy: -16.480 bonds (distance) P-C4' energy: -11.023 flat angles C4'-P-C4' energy: -11.088 flat angles P-C4'-P energy: -5.341 tors. eta vs tors. theta energy: -12.214 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: 304 Temperature: 1.100000 Total energy: -186.016605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.016605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.016605 (E_RNA) where: Base-Base interactions energy: -125.834 where: short stacking energy: -55.004 Base-Backbone interact. energy: -0.154 local terms energy: -60.028549 where: bonds (distance) C4'-P energy: -13.126 bonds (distance) P-C4' energy: -15.496 flat angles C4'-P-C4' energy: -9.927 flat angles P-C4'-P energy: -7.671 tors. eta vs tors. theta energy: -13.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -180.642379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.642379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.642379 (E_RNA) where: Base-Base interactions energy: -115.648 where: short stacking energy: -64.143 Base-Backbone interact. energy: -0.010 local terms energy: -64.984396 where: bonds (distance) C4'-P energy: -9.339 bonds (distance) P-C4' energy: -11.320 flat angles C4'-P-C4' energy: -14.804 flat angles P-C4'-P energy: -10.491 tors. eta vs tors. theta energy: -19.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -177.004775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.004775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.004775 (E_RNA) where: Base-Base interactions energy: -119.636 where: short stacking energy: -49.959 Base-Backbone interact. energy: -0.155 local terms energy: -57.213676 where: bonds (distance) C4'-P energy: -16.080 bonds (distance) P-C4' energy: -8.947 flat angles C4'-P-C4' energy: -12.287 flat angles P-C4'-P energy: -7.615 tors. eta vs tors. theta energy: -12.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -102.675482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.675482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.675482 (E_RNA) where: Base-Base interactions energy: -52.353 where: short stacking energy: -33.714 Base-Backbone interact. energy: 1.591 local terms energy: -51.913716 where: bonds (distance) C4'-P energy: -12.796 bonds (distance) P-C4' energy: -12.183 flat angles C4'-P-C4' energy: -14.008 flat angles P-C4'-P energy: -9.504 tors. eta vs tors. theta energy: -3.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -100.554475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.554475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.554475 (E_RNA) where: Base-Base interactions energy: -46.061 where: short stacking energy: -44.681 Base-Backbone interact. energy: -0.220 local terms energy: -54.273321 where: bonds (distance) C4'-P energy: -13.735 bonds (distance) P-C4' energy: -12.461 flat angles C4'-P-C4' energy: -10.696 flat angles P-C4'-P energy: -9.411 tors. eta vs tors. theta energy: -7.970 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: 304 Temperature: 1.350000 Total energy: -77.026420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.026420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.026420 (E_RNA) where: Base-Base interactions energy: -31.072 where: short stacking energy: -29.136 Base-Backbone interact. energy: -0.111 local terms energy: -45.843413 where: bonds (distance) C4'-P energy: -8.871 bonds (distance) P-C4' energy: -15.494 flat angles C4'-P-C4' energy: -11.509 flat angles P-C4'-P energy: -4.950 tors. eta vs tors. theta energy: -5.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -219.970393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.970393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.970393 (E_RNA) where: Base-Base interactions energy: -156.213 where: short stacking energy: -63.371 Base-Backbone interact. energy: 0.900 local terms energy: -64.656693 where: bonds (distance) C4'-P energy: -12.253 bonds (distance) P-C4' energy: -13.016 flat angles C4'-P-C4' energy: -15.197 flat angles P-C4'-P energy: -7.916 tors. eta vs tors. theta energy: -16.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -212.911553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.911553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.911553 (E_RNA) where: Base-Base interactions energy: -137.728 where: short stacking energy: -56.665 Base-Backbone interact. energy: -0.914 local terms energy: -74.269992 where: bonds (distance) C4'-P energy: -16.295 bonds (distance) P-C4' energy: -13.701 flat angles C4'-P-C4' energy: -15.917 flat angles P-C4'-P energy: -12.875 tors. eta vs tors. theta energy: -15.482 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: 10 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -214.083479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.083479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.083479 (E_RNA) where: Base-Base interactions energy: -147.797 where: short stacking energy: -67.565 Base-Backbone interact. energy: -0.001 local terms energy: -66.285150 where: bonds (distance) C4'-P energy: -12.668 bonds (distance) P-C4' energy: -16.554 flat angles C4'-P-C4' energy: -14.364 flat angles P-C4'-P energy: -4.414 tors. eta vs tors. theta energy: -18.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -198.402772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.402772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.402772 (E_RNA) where: Base-Base interactions energy: -132.695 where: short stacking energy: -62.755 Base-Backbone interact. energy: -0.012 local terms energy: -65.695564 where: bonds (distance) C4'-P energy: -11.056 bonds (distance) P-C4' energy: -16.858 flat angles C4'-P-C4' energy: -11.178 flat angles P-C4'-P energy: -10.070 tors. eta vs tors. theta energy: -16.533 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: 2 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -179.784891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.784891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.784891 (E_RNA) where: Base-Base interactions energy: -120.320 where: short stacking energy: -58.995 Base-Backbone interact. energy: 0.098 local terms energy: -59.563003 where: bonds (distance) C4'-P energy: -11.356 bonds (distance) P-C4' energy: -13.559 flat angles C4'-P-C4' energy: -12.405 flat angles P-C4'-P energy: -8.294 tors. eta vs tors. theta energy: -13.949 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: 6, replica: 5 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -181.699541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.699541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.699541 (E_RNA) where: Base-Base interactions energy: -117.886 where: short stacking energy: -50.238 Base-Backbone interact. energy: -0.120 local terms energy: -63.694148 where: bonds (distance) C4'-P energy: -14.373 bonds (distance) P-C4' energy: -11.168 flat angles C4'-P-C4' energy: -13.745 flat angles P-C4'-P energy: -10.018 tors. eta vs tors. theta energy: -14.390 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: 9 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -166.620017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.620017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.620017 (E_RNA) where: Base-Base interactions energy: -112.998 where: short stacking energy: -52.805 Base-Backbone interact. energy: -0.116 local terms energy: -53.506483 where: bonds (distance) C4'-P energy: -8.751 bonds (distance) P-C4' energy: -15.180 flat angles C4'-P-C4' energy: -11.168 flat angles P-C4'-P energy: -4.027 tors. eta vs tors. theta energy: -14.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -89.319111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.319111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.319111 (E_RNA) where: Base-Base interactions energy: -38.109 where: short stacking energy: -29.137 Base-Backbone interact. energy: -0.060 local terms energy: -51.150286 where: bonds (distance) C4'-P energy: -13.964 bonds (distance) P-C4' energy: -15.072 flat angles C4'-P-C4' energy: -10.336 flat angles P-C4'-P energy: -11.510 tors. eta vs tors. theta energy: -0.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -82.418112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.418112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.418112 (E_RNA) where: Base-Base interactions energy: -33.407 where: short stacking energy: -33.407 Base-Backbone interact. energy: -0.299 local terms energy: -48.712299 where: bonds (distance) C4'-P energy: -10.399 bonds (distance) P-C4' energy: -13.604 flat angles C4'-P-C4' energy: -10.354 flat angles P-C4'-P energy: -7.976 tors. eta vs tors. theta energy: -6.379 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: 3 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -73.984095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.984095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.984095 (E_RNA) where: Base-Base interactions energy: -39.593 where: short stacking energy: -19.810 Base-Backbone interact. energy: -0.197 local terms energy: -34.193985 where: bonds (distance) C4'-P energy: -15.742 bonds (distance) P-C4' energy: -11.483 flat angles C4'-P-C4' energy: -7.559 flat angles P-C4'-P energy: -1.914 tors. eta vs tors. theta energy: 2.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -212.771830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.771830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.771830 (E_RNA) where: Base-Base interactions energy: -142.675 where: short stacking energy: -69.862 Base-Backbone interact. energy: -0.429 local terms energy: -69.668121 where: bonds (distance) C4'-P energy: -15.293 bonds (distance) P-C4' energy: -14.889 flat angles C4'-P-C4' energy: -16.422 flat angles P-C4'-P energy: -6.720 tors. eta vs tors. theta energy: -16.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -227.142607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.142607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.142607 (E_RNA) where: Base-Base interactions energy: -155.920 where: short stacking energy: -65.626 Base-Backbone interact. energy: -0.811 local terms energy: -70.411274 where: bonds (distance) C4'-P energy: -13.015 bonds (distance) P-C4' energy: -15.301 flat angles C4'-P-C4' energy: -16.723 flat angles P-C4'-P energy: -10.654 tors. eta vs tors. theta energy: -14.718 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: 3, replica: 8 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -195.843540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.843540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.843540 (E_RNA) where: Base-Base interactions energy: -132.885 where: short stacking energy: -54.257 Base-Backbone interact. energy: -0.291 local terms energy: -62.668093 where: bonds (distance) C4'-P energy: -13.234 bonds (distance) P-C4' energy: -13.481 flat angles C4'-P-C4' energy: -13.038 flat angles P-C4'-P energy: -10.343 tors. eta vs tors. theta energy: -12.571 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: 306 Temperature: 1.050000 Total energy: -205.123117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.123117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.123117 (E_RNA) where: Base-Base interactions energy: -140.677 where: short stacking energy: -63.248 Base-Backbone interact. energy: -0.575 local terms energy: -63.871323 where: bonds (distance) C4'-P energy: -10.820 bonds (distance) P-C4' energy: -15.093 flat angles C4'-P-C4' energy: -16.398 flat angles P-C4'-P energy: -7.695 tors. eta vs tors. theta energy: -13.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -187.535399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.535399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.535399 (E_RNA) where: Base-Base interactions energy: -120.746 where: short stacking energy: -54.663 Base-Backbone interact. energy: -0.097 local terms energy: -66.692793 where: bonds (distance) C4'-P energy: -14.861 bonds (distance) P-C4' energy: -16.672 flat angles C4'-P-C4' energy: -15.874 flat angles P-C4'-P energy: 0.344 tors. eta vs tors. theta energy: -19.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -181.881826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.881826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.881826 (E_RNA) where: Base-Base interactions energy: -117.835 where: short stacking energy: -60.482 Base-Backbone interact. energy: 0.941 local terms energy: -64.987935 where: bonds (distance) C4'-P energy: -11.432 bonds (distance) P-C4' energy: -10.956 flat angles C4'-P-C4' energy: -15.274 flat angles P-C4'-P energy: -13.163 tors. eta vs tors. theta energy: -14.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -161.326741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.326741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.326741 (E_RNA) where: Base-Base interactions energy: -106.373 where: short stacking energy: -39.359 Base-Backbone interact. energy: -0.109 local terms energy: -54.844635 where: bonds (distance) C4'-P energy: -8.534 bonds (distance) P-C4' energy: -16.348 flat angles C4'-P-C4' energy: -13.478 flat angles P-C4'-P energy: -10.408 tors. eta vs tors. theta energy: -6.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -77.316608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.316608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.316608 (E_RNA) where: Base-Base interactions energy: -29.601 where: short stacking energy: -21.111 Base-Backbone interact. energy: -0.500 local terms energy: -47.215758 where: bonds (distance) C4'-P energy: -7.391 bonds (distance) P-C4' energy: -17.062 flat angles C4'-P-C4' energy: -12.189 flat angles P-C4'-P energy: -11.182 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: 9, replica: 3 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -79.805092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.805092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.805092 (E_RNA) where: Base-Base interactions energy: -33.124 where: short stacking energy: -33.124 Base-Backbone interact. energy: -0.141 local terms energy: -46.540118 where: bonds (distance) C4'-P energy: -8.830 bonds (distance) P-C4' energy: -10.957 flat angles C4'-P-C4' energy: -12.600 flat angles P-C4'-P energy: -9.020 tors. eta vs tors. theta energy: -5.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -83.727886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.727886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.727886 (E_RNA) where: Base-Base interactions energy: -37.995 where: short stacking energy: -37.995 Base-Backbone interact. energy: -0.002 local terms energy: -45.730815 where: bonds (distance) C4'-P energy: -12.717 bonds (distance) P-C4' energy: -14.074 flat angles C4'-P-C4' energy: -8.823 flat angles P-C4'-P energy: -4.786 tors. eta vs tors. theta energy: -5.330 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: 7 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -209.220758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.220758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.220758 (E_RNA) where: Base-Base interactions energy: -134.836 where: short stacking energy: -63.899 Base-Backbone interact. energy: -0.349 local terms energy: -74.036014 where: bonds (distance) C4'-P energy: -14.368 bonds (distance) P-C4' energy: -14.474 flat angles C4'-P-C4' energy: -16.630 flat angles P-C4'-P energy: -9.541 tors. eta vs tors. theta energy: -19.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -206.050792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.050792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.050792 (E_RNA) where: Base-Base interactions energy: -137.360 where: short stacking energy: -56.527 Base-Backbone interact. energy: -0.292 local terms energy: -68.398789 where: bonds (distance) C4'-P energy: -15.354 bonds (distance) P-C4' energy: -17.122 flat angles C4'-P-C4' energy: -14.880 flat angles P-C4'-P energy: -6.265 tors. eta vs tors. theta energy: -14.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -221.698494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.698494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.698494 (E_RNA) where: Base-Base interactions energy: -154.958 where: short stacking energy: -62.365 Base-Backbone interact. energy: -0.238 local terms energy: -66.502594 where: bonds (distance) C4'-P energy: -11.116 bonds (distance) P-C4' energy: -14.518 flat angles C4'-P-C4' energy: -15.942 flat angles P-C4'-P energy: -8.575 tors. eta vs tors. theta energy: -16.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -212.514552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.514552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.514552 (E_RNA) where: Base-Base interactions energy: -149.248 where: short stacking energy: -65.540 Base-Backbone interact. energy: -0.007 local terms energy: -63.259552 where: bonds (distance) C4'-P energy: -12.626 bonds (distance) P-C4' energy: -11.711 flat angles C4'-P-C4' energy: -11.484 flat angles P-C4'-P energy: -11.115 tors. eta vs tors. theta energy: -16.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -170.906475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.906475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.906475 (E_RNA) where: Base-Base interactions energy: -106.405 where: short stacking energy: -48.925 Base-Backbone interact. energy: -0.066 local terms energy: -64.435530 where: bonds (distance) C4'-P energy: -16.029 bonds (distance) P-C4' energy: -12.943 flat angles C4'-P-C4' energy: -11.651 flat angles P-C4'-P energy: -11.946 tors. eta vs tors. theta energy: -11.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -176.627925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.627925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.627925 (E_RNA) where: Base-Base interactions energy: -123.457 where: short stacking energy: -55.887 Base-Backbone interact. energy: 0.554 local terms energy: -53.724409 where: bonds (distance) C4'-P energy: -10.453 bonds (distance) P-C4' energy: -13.667 flat angles C4'-P-C4' energy: -11.145 flat angles P-C4'-P energy: -5.058 tors. eta vs tors. theta energy: -13.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -172.030515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.030515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.030515 (E_RNA) where: Base-Base interactions energy: -111.589 where: short stacking energy: -44.636 Base-Backbone interact. energy: -0.218 local terms energy: -60.223207 where: bonds (distance) C4'-P energy: -11.586 bonds (distance) P-C4' energy: -13.969 flat angles C4'-P-C4' energy: -12.671 flat angles P-C4'-P energy: -10.640 tors. eta vs tors. theta energy: -11.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -108.821836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.821836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.821836 (E_RNA) where: Base-Base interactions energy: -56.974 where: short stacking energy: -39.704 Base-Backbone interact. energy: -0.308 local terms energy: -51.539203 where: bonds (distance) C4'-P energy: -6.094 bonds (distance) P-C4' energy: -15.981 flat angles C4'-P-C4' energy: -13.840 flat angles P-C4'-P energy: -10.290 tors. eta vs tors. theta energy: -5.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -79.132890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.132890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.132890 (E_RNA) where: Base-Base interactions energy: -26.989 where: short stacking energy: -26.989 Base-Backbone interact. energy: -0.112 local terms energy: -52.032267 where: bonds (distance) C4'-P energy: -11.464 bonds (distance) P-C4' energy: -14.453 flat angles C4'-P-C4' energy: -11.345 flat angles P-C4'-P energy: -8.133 tors. eta vs tors. theta energy: -6.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -85.097583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.097583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.097583 (E_RNA) where: Base-Base interactions energy: -34.300 where: short stacking energy: -23.126 Base-Backbone interact. energy: 0.083 local terms energy: -50.881098 where: bonds (distance) C4'-P energy: -11.661 bonds (distance) P-C4' energy: -15.272 flat angles C4'-P-C4' energy: -11.578 flat angles P-C4'-P energy: -4.767 tors. eta vs tors. theta energy: -7.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -221.742916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.742916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.742916 (E_RNA) where: Base-Base interactions energy: -153.658 where: short stacking energy: -70.747 Base-Backbone interact. energy: -0.058 local terms energy: -68.026630 where: bonds (distance) C4'-P energy: -16.455 bonds (distance) P-C4' energy: -15.417 flat angles C4'-P-C4' energy: -10.549 flat angles P-C4'-P energy: -7.850 tors. eta vs tors. theta energy: -17.756 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: 7 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -212.831900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.831900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.831900 (E_RNA) where: Base-Base interactions energy: -140.630 where: short stacking energy: -58.862 Base-Backbone interact. energy: -0.189 local terms energy: -72.012767 where: bonds (distance) C4'-P energy: -16.328 bonds (distance) P-C4' energy: -14.410 flat angles C4'-P-C4' energy: -15.839 flat angles P-C4'-P energy: -11.162 tors. eta vs tors. theta energy: -14.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -222.299876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.299876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.299876 (E_RNA) where: Base-Base interactions energy: -154.119 where: short stacking energy: -63.441 Base-Backbone interact. energy: -0.647 local terms energy: -67.533255 where: bonds (distance) C4'-P energy: -9.032 bonds (distance) P-C4' energy: -14.818 flat angles C4'-P-C4' energy: -16.506 flat angles P-C4'-P energy: -9.326 tors. eta vs tors. theta energy: -17.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -213.630181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.630181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.630181 (E_RNA) where: Base-Base interactions energy: -152.646 where: short stacking energy: -61.303 Base-Backbone interact. energy: -0.420 local terms energy: -60.564820 where: bonds (distance) C4'-P energy: -13.027 bonds (distance) P-C4' energy: -16.582 flat angles C4'-P-C4' energy: -11.322 flat angles P-C4'-P energy: -8.803 tors. eta vs tors. theta energy: -10.831 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: 5 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -179.483226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.483226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.483226 (E_RNA) where: Base-Base interactions energy: -119.456 where: short stacking energy: -55.569 Base-Backbone interact. energy: -0.429 local terms energy: -59.598524 where: bonds (distance) C4'-P energy: -12.726 bonds (distance) P-C4' energy: -9.245 flat angles C4'-P-C4' energy: -12.392 flat angles P-C4'-P energy: -10.020 tors. eta vs tors. theta energy: -15.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -161.038720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.038720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.038720 (E_RNA) where: Base-Base interactions energy: -106.064 where: short stacking energy: -42.851 Base-Backbone interact. energy: -0.600 local terms energy: -54.374733 where: bonds (distance) C4'-P energy: -13.064 bonds (distance) P-C4' energy: -13.585 flat angles C4'-P-C4' energy: -12.641 flat angles P-C4'-P energy: -6.606 tors. eta vs tors. theta energy: -8.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -169.481721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.481721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.481721 (E_RNA) where: Base-Base interactions energy: -116.526 where: short stacking energy: -52.136 Base-Backbone interact. energy: -0.003 local terms energy: -52.953042 where: bonds (distance) C4'-P energy: -5.799 bonds (distance) P-C4' energy: -14.786 flat angles C4'-P-C4' energy: -14.970 flat angles P-C4'-P energy: -1.193 tors. eta vs tors. theta energy: -16.205 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: 8, replica: 3 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -80.152111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.152111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.152111 (E_RNA) where: Base-Base interactions energy: -29.683 where: short stacking energy: -23.515 Base-Backbone interact. energy: -0.104 local terms energy: -50.364652 where: bonds (distance) C4'-P energy: -15.370 bonds (distance) P-C4' energy: -15.506 flat angles C4'-P-C4' energy: -9.398 flat angles P-C4'-P energy: -6.036 tors. eta vs tors. theta energy: -4.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -103.780955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.780955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.780955 (E_RNA) where: Base-Base interactions energy: -65.831 where: short stacking energy: -37.894 Base-Backbone interact. energy: 0.477 local terms energy: -38.427277 where: bonds (distance) C4'-P energy: -10.886 bonds (distance) P-C4' energy: -5.297 flat angles C4'-P-C4' energy: -7.021 flat angles P-C4'-P energy: -5.956 tors. eta vs tors. theta energy: -9.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -73.487085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.487085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.487085 (E_RNA) where: Base-Base interactions energy: -23.497 where: short stacking energy: -23.497 Base-Backbone interact. energy: -0.184 local terms energy: -49.806274 where: bonds (distance) C4'-P energy: -14.679 bonds (distance) P-C4' energy: -15.551 flat angles C4'-P-C4' energy: -14.047 flat angles P-C4'-P energy: -6.066 tors. eta vs tors. theta energy: 0.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -215.590883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.590883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.590883 (E_RNA) where: Base-Base interactions energy: -152.261 where: short stacking energy: -70.318 Base-Backbone interact. energy: -0.159 local terms energy: -63.170501 where: bonds (distance) C4'-P energy: -7.444 bonds (distance) P-C4' energy: -13.552 flat angles C4'-P-C4' energy: -15.512 flat angles P-C4'-P energy: -9.293 tors. eta vs tors. theta energy: -17.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -216.408017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.408017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.408017 (E_RNA) where: Base-Base interactions energy: -143.197 where: short stacking energy: -61.003 Base-Backbone interact. energy: -0.008 local terms energy: -73.202408 where: bonds (distance) C4'-P energy: -16.641 bonds (distance) P-C4' energy: -15.333 flat angles C4'-P-C4' energy: -15.821 flat angles P-C4'-P energy: -8.963 tors. eta vs tors. theta energy: -16.445 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: 3, replica: 7 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -208.371850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.371850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.371850 (E_RNA) where: Base-Base interactions energy: -145.688 where: short stacking energy: -53.633 Base-Backbone interact. energy: -0.983 local terms energy: -61.700928 where: bonds (distance) C4'-P energy: -13.839 bonds (distance) P-C4' energy: -13.566 flat angles C4'-P-C4' energy: -13.451 flat angles P-C4'-P energy: -8.975 tors. eta vs tors. theta energy: -11.870 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: 4, replica: 4 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -197.359454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.359454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.359454 (E_RNA) where: Base-Base interactions energy: -136.862 where: short stacking energy: -50.088 Base-Backbone interact. energy: -0.900 local terms energy: -59.597398 where: bonds (distance) C4'-P energy: -14.435 bonds (distance) P-C4' energy: -12.937 flat angles C4'-P-C4' energy: -14.253 flat angles P-C4'-P energy: -6.196 tors. eta vs tors. theta energy: -11.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -176.607233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.607233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.607233 (E_RNA) where: Base-Base interactions energy: -120.825 where: short stacking energy: -46.095 Base-Backbone interact. energy: -1.369 local terms energy: -54.413764 where: bonds (distance) C4'-P energy: -12.862 bonds (distance) P-C4' energy: -13.382 flat angles C4'-P-C4' energy: -15.212 flat angles P-C4'-P energy: -6.347 tors. eta vs tors. theta energy: -6.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -185.863434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.863434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.863434 (E_RNA) where: Base-Base interactions energy: -114.994 where: short stacking energy: -54.786 Base-Backbone interact. energy: -0.012 local terms energy: -70.858015 where: bonds (distance) C4'-P energy: -14.890 bonds (distance) P-C4' energy: -16.027 flat angles C4'-P-C4' energy: -10.102 flat angles P-C4'-P energy: -11.519 tors. eta vs tors. theta energy: -18.321 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: 309 Temperature: 1.200000 Total energy: -145.179232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.179232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.179232 (E_RNA) where: Base-Base interactions energy: -94.721 where: short stacking energy: -37.807 Base-Backbone interact. energy: -0.125 local terms energy: -50.332809 where: bonds (distance) C4'-P energy: -11.480 bonds (distance) P-C4' energy: -13.789 flat angles C4'-P-C4' energy: -10.244 flat angles P-C4'-P energy: -8.069 tors. eta vs tors. theta energy: -6.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -101.135537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.135537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.135537 (E_RNA) where: Base-Base interactions energy: -45.568 where: short stacking energy: -27.235 Base-Backbone interact. energy: -0.255 local terms energy: -55.312381 where: bonds (distance) C4'-P energy: -12.903 bonds (distance) P-C4' energy: -14.358 flat angles C4'-P-C4' energy: -11.726 flat angles P-C4'-P energy: -5.676 tors. eta vs tors. theta energy: -10.649 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: 3 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -83.231634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.231634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.231634 (E_RNA) where: Base-Base interactions energy: -39.679 where: short stacking energy: -30.995 Base-Backbone interact. energy: -0.225 local terms energy: -43.327019 where: bonds (distance) C4'-P energy: -11.137 bonds (distance) P-C4' energy: -13.324 flat angles C4'-P-C4' energy: -6.288 flat angles P-C4'-P energy: -6.922 tors. eta vs tors. theta energy: -5.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -75.544574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.544574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.544574 (E_RNA) where: Base-Base interactions energy: -24.493 where: short stacking energy: -23.558 Base-Backbone interact. energy: 0.640 local terms energy: -51.692009 where: bonds (distance) C4'-P energy: -14.810 bonds (distance) P-C4' energy: -14.687 flat angles C4'-P-C4' energy: -8.151 flat angles P-C4'-P energy: -11.395 tors. eta vs tors. theta energy: -2.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -227.134601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.134601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.134601 (E_RNA) where: Base-Base interactions energy: -153.475 where: short stacking energy: -65.456 Base-Backbone interact. energy: -0.150 local terms energy: -73.510140 where: bonds (distance) C4'-P energy: -15.351 bonds (distance) P-C4' energy: -16.290 flat angles C4'-P-C4' energy: -15.739 flat angles P-C4'-P energy: -9.041 tors. eta vs tors. theta energy: -17.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -201.436889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.436889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.436889 (E_RNA) where: Base-Base interactions energy: -135.144 where: short stacking energy: -60.596 Base-Backbone interact. energy: -0.072 local terms energy: -66.220886 where: bonds (distance) C4'-P energy: -11.901 bonds (distance) P-C4' energy: -13.186 flat angles C4'-P-C4' energy: -14.736 flat angles P-C4'-P energy: -9.694 tors. eta vs tors. theta energy: -16.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -199.607864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.607864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.607864 (E_RNA) where: Base-Base interactions energy: -140.320 where: short stacking energy: -55.467 Base-Backbone interact. energy: -0.642 local terms energy: -58.645500 where: bonds (distance) C4'-P energy: -9.897 bonds (distance) P-C4' energy: -16.728 flat angles C4'-P-C4' energy: -13.138 flat angles P-C4'-P energy: -7.911 tors. eta vs tors. theta energy: -10.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -184.605868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.605868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.605868 (E_RNA) where: Base-Base interactions energy: -121.012 where: short stacking energy: -49.861 Base-Backbone interact. energy: -0.206 local terms energy: -63.388154 where: bonds (distance) C4'-P energy: -14.684 bonds (distance) P-C4' energy: -13.110 flat angles C4'-P-C4' energy: -15.782 flat angles P-C4'-P energy: -10.065 tors. eta vs tors. theta energy: -9.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -190.682701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.682701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.682701 (E_RNA) where: Base-Base interactions energy: -129.460 where: short stacking energy: -58.420 Base-Backbone interact. energy: -0.261 local terms energy: -60.962128 where: bonds (distance) C4'-P energy: -13.760 bonds (distance) P-C4' energy: -14.302 flat angles C4'-P-C4' energy: -13.478 flat angles P-C4'-P energy: -6.710 tors. eta vs tors. theta energy: -12.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -174.406779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.406779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.406779 (E_RNA) where: Base-Base interactions energy: -123.875 where: short stacking energy: -42.859 Base-Backbone interact. energy: -0.565 local terms energy: -49.967092 where: bonds (distance) C4'-P energy: -13.790 bonds (distance) P-C4' energy: -12.577 flat angles C4'-P-C4' energy: -12.196 flat angles P-C4'-P energy: -3.244 tors. eta vs tors. theta energy: -8.161 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: 7, replica: 2 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -171.663903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.663903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.663903 (E_RNA) where: Base-Base interactions energy: -111.316 where: short stacking energy: -55.842 Base-Backbone interact. energy: -0.000 local terms energy: -60.348101 where: bonds (distance) C4'-P energy: -9.968 bonds (distance) P-C4' energy: -10.297 flat angles C4'-P-C4' energy: -13.796 flat angles P-C4'-P energy: -9.713 tors. eta vs tors. theta energy: -16.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -102.508976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.508976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.508976 (E_RNA) where: Base-Base interactions energy: -51.432 where: short stacking energy: -29.913 Base-Backbone interact. energy: -0.473 local terms energy: -50.603797 where: bonds (distance) C4'-P energy: -13.313 bonds (distance) P-C4' energy: -11.262 flat angles C4'-P-C4' energy: -12.954 flat angles P-C4'-P energy: -6.948 tors. eta vs tors. theta energy: -6.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -81.953375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.953375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.953375 (E_RNA) where: Base-Base interactions energy: -44.142 where: short stacking energy: -23.906 Base-Backbone interact. energy: -0.354 local terms energy: -37.458024 where: bonds (distance) C4'-P energy: -6.248 bonds (distance) P-C4' energy: -15.122 flat angles C4'-P-C4' energy: -7.805 flat angles P-C4'-P energy: -10.797 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: 10, replica: 3 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -87.429731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.429731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.429731 (E_RNA) where: Base-Base interactions energy: -37.251 where: short stacking energy: -29.345 Base-Backbone interact. energy: -0.141 local terms energy: -50.037468 where: bonds (distance) C4'-P energy: -13.968 bonds (distance) P-C4' energy: -12.469 flat angles C4'-P-C4' energy: -14.462 flat angles P-C4'-P energy: -8.114 tors. eta vs tors. theta energy: -1.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -215.904024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.904024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.904024 (E_RNA) where: Base-Base interactions energy: -146.068 where: short stacking energy: -57.448 Base-Backbone interact. energy: -0.108 local terms energy: -69.727603 where: bonds (distance) C4'-P energy: -16.836 bonds (distance) P-C4' energy: -9.890 flat angles C4'-P-C4' energy: -16.183 flat angles P-C4'-P energy: -8.213 tors. eta vs tors. theta energy: -18.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -212.080392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.080392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.080392 (E_RNA) where: Base-Base interactions energy: -140.344 where: short stacking energy: -64.207 Base-Backbone interact. energy: -0.102 local terms energy: -71.633787 where: bonds (distance) C4'-P energy: -14.066 bonds (distance) P-C4' energy: -13.193 flat angles C4'-P-C4' energy: -13.954 flat angles P-C4'-P energy: -12.704 tors. eta vs tors. theta energy: -17.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -209.195211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.195211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.195211 (E_RNA) where: Base-Base interactions energy: -140.222 where: short stacking energy: -59.168 Base-Backbone interact. energy: -0.223 local terms energy: -68.750419 where: bonds (distance) C4'-P energy: -9.409 bonds (distance) P-C4' energy: -14.592 flat angles C4'-P-C4' energy: -14.023 flat angles P-C4'-P energy: -14.825 tors. eta vs tors. theta energy: -15.900 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: 4 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -184.019689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.019689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.019689 (E_RNA) where: Base-Base interactions energy: -124.768 where: short stacking energy: -49.547 Base-Backbone interact. energy: -0.101 local terms energy: -59.150894 where: bonds (distance) C4'-P energy: -12.708 bonds (distance) P-C4' energy: -10.747 flat angles C4'-P-C4' energy: -13.750 flat angles P-C4'-P energy: -8.277 tors. eta vs tors. theta energy: -13.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -174.351967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.351967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.351967 (E_RNA) where: Base-Base interactions energy: -115.771 where: short stacking energy: -56.626 Base-Backbone interact. energy: -0.002 local terms energy: -58.579022 where: bonds (distance) C4'-P energy: -11.537 bonds (distance) P-C4' energy: -10.588 flat angles C4'-P-C4' energy: -12.631 flat angles P-C4'-P energy: -10.107 tors. eta vs tors. theta energy: -13.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -141.135193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.135193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.135193 (E_RNA) where: Base-Base interactions energy: -94.584 where: short stacking energy: -33.736 Base-Backbone interact. energy: -0.308 local terms energy: -46.243311 where: bonds (distance) C4'-P energy: -14.253 bonds (distance) P-C4' energy: -14.462 flat angles C4'-P-C4' energy: -10.848 flat angles P-C4'-P energy: -5.003 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: 9 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -188.099906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.099906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.099906 (E_RNA) where: Base-Base interactions energy: -134.355 where: short stacking energy: -44.240 Base-Backbone interact. energy: -0.581 local terms energy: -53.163543 where: bonds (distance) C4'-P energy: -12.099 bonds (distance) P-C4' energy: -9.373 flat angles C4'-P-C4' energy: -7.512 flat angles P-C4'-P energy: -13.188 tors. eta vs tors. theta energy: -10.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -94.898697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.898697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.898697 (E_RNA) where: Base-Base interactions energy: -42.138 where: short stacking energy: -42.138 Base-Backbone interact. energy: -0.142 local terms energy: -52.618528 where: bonds (distance) C4'-P energy: -12.047 bonds (distance) P-C4' energy: -14.063 flat angles C4'-P-C4' energy: -14.089 flat angles P-C4'-P energy: -5.902 tors. eta vs tors. theta energy: -6.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -81.512868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.512868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.512868 (E_RNA) where: Base-Base interactions energy: -28.682 where: short stacking energy: -28.682 Base-Backbone interact. energy: 0.325 local terms energy: -53.156824 where: bonds (distance) C4'-P energy: -14.725 bonds (distance) P-C4' energy: -11.216 flat angles C4'-P-C4' energy: -10.296 flat angles P-C4'-P energy: -9.474 tors. eta vs tors. theta energy: -7.446 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: 3 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -74.120100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.120100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.120100 (E_RNA) where: Base-Base interactions energy: -30.227 where: short stacking energy: -26.171 Base-Backbone interact. energy: -0.132 local terms energy: -43.761277 where: bonds (distance) C4'-P energy: -10.934 bonds (distance) P-C4' energy: -12.278 flat angles C4'-P-C4' energy: -8.309 flat angles P-C4'-P energy: -8.869 tors. eta vs tors. theta energy: -3.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -218.105443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.105443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.105443 (E_RNA) where: Base-Base interactions energy: -140.112 where: short stacking energy: -64.265 Base-Backbone interact. energy: -0.292 local terms energy: -77.702005 where: bonds (distance) C4'-P energy: -13.558 bonds (distance) P-C4' energy: -17.560 flat angles C4'-P-C4' energy: -15.713 flat angles P-C4'-P energy: -11.940 tors. eta vs tors. theta energy: -18.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -213.832441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.832441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.832441 (E_RNA) where: Base-Base interactions energy: -150.521 where: short stacking energy: -62.565 Base-Backbone interact. energy: -0.005 local terms energy: -63.305845 where: bonds (distance) C4'-P energy: -12.981 bonds (distance) P-C4' energy: -13.206 flat angles C4'-P-C4' energy: -13.270 flat angles P-C4'-P energy: -8.384 tors. eta vs tors. theta energy: -15.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -204.394464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.394464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.394464 (E_RNA) where: Base-Base interactions energy: -136.093 where: short stacking energy: -52.356 Base-Backbone interact. energy: -0.190 local terms energy: -68.111420 where: bonds (distance) C4'-P energy: -10.518 bonds (distance) P-C4' energy: -14.958 flat angles C4'-P-C4' energy: -16.567 flat angles P-C4'-P energy: -7.647 tors. eta vs tors. theta energy: -18.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -199.479225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.479225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.479225 (E_RNA) where: Base-Base interactions energy: -141.167 where: short stacking energy: -46.851 Base-Backbone interact. energy: -0.297 local terms energy: -58.015939 where: bonds (distance) C4'-P energy: -14.144 bonds (distance) P-C4' energy: -11.196 flat angles C4'-P-C4' energy: -14.987 flat angles P-C4'-P energy: -8.559 tors. eta vs tors. theta energy: -9.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -156.786321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.786321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.786321 (E_RNA) where: Base-Base interactions energy: -96.971 where: short stacking energy: -43.033 Base-Backbone interact. energy: -0.174 local terms energy: -59.641081 where: bonds (distance) C4'-P energy: -14.108 bonds (distance) P-C4' energy: -15.822 flat angles C4'-P-C4' energy: -13.079 flat angles P-C4'-P energy: -8.684 tors. eta vs tors. theta energy: -7.948 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: 5 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -147.830593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.830593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.830593 (E_RNA) where: Base-Base interactions energy: -98.112 where: short stacking energy: -42.273 Base-Backbone interact. energy: 1.058 local terms energy: -50.776727 where: bonds (distance) C4'-P energy: -9.862 bonds (distance) P-C4' energy: -9.664 flat angles C4'-P-C4' energy: -15.067 flat angles P-C4'-P energy: -7.531 tors. eta vs tors. theta energy: -8.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -171.842223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.842223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.842223 (E_RNA) where: Base-Base interactions energy: -111.288 where: short stacking energy: -45.726 Base-Backbone interact. energy: -0.691 local terms energy: -59.862707 where: bonds (distance) C4'-P energy: -14.798 bonds (distance) P-C4' energy: -11.122 flat angles C4'-P-C4' energy: -12.098 flat angles P-C4'-P energy: -10.130 tors. eta vs tors. theta energy: -11.714 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: 6 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -89.202387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.202387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.202387 (E_RNA) where: Base-Base interactions energy: -28.714 where: short stacking energy: -28.714 Base-Backbone interact. energy: -0.056 local terms energy: -60.432366 where: bonds (distance) C4'-P energy: -15.611 bonds (distance) P-C4' energy: -16.199 flat angles C4'-P-C4' energy: -11.943 flat angles P-C4'-P energy: -10.408 tors. eta vs tors. theta energy: -6.271 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: 1 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -83.584143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.584143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.584143 (E_RNA) where: Base-Base interactions energy: -34.885 where: short stacking energy: -34.885 Base-Backbone interact. energy: -0.085 local terms energy: -48.614287 where: bonds (distance) C4'-P energy: -10.584 bonds (distance) P-C4' energy: -11.702 flat angles C4'-P-C4' energy: -13.942 flat angles P-C4'-P energy: -2.716 tors. eta vs tors. theta energy: -9.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -77.249642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.249642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.249642 (E_RNA) where: Base-Base interactions energy: -31.528 where: short stacking energy: -28.068 Base-Backbone interact. energy: -0.644 local terms energy: -45.077263 where: bonds (distance) C4'-P energy: -16.079 bonds (distance) P-C4' energy: -9.333 flat angles C4'-P-C4' energy: -8.663 flat angles P-C4'-P energy: -9.101 tors. eta vs tors. theta energy: -1.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -221.249762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.249762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.249762 (E_RNA) where: Base-Base interactions energy: -148.622 where: short stacking energy: -69.706 Base-Backbone interact. energy: -0.599 local terms energy: -72.028587 where: bonds (distance) C4'-P energy: -12.510 bonds (distance) P-C4' energy: -13.784 flat angles C4'-P-C4' energy: -14.782 flat angles P-C4'-P energy: -10.738 tors. eta vs tors. theta energy: -20.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -209.040836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.040836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.040836 (E_RNA) where: Base-Base interactions energy: -142.111 where: short stacking energy: -62.738 Base-Backbone interact. energy: -0.108 local terms energy: -66.820952 where: bonds (distance) C4'-P energy: -13.993 bonds (distance) P-C4' energy: -10.032 flat angles C4'-P-C4' energy: -18.070 flat angles P-C4'-P energy: -11.286 tors. eta vs tors. theta energy: -13.441 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: 313 Temperature: 1.000000 Total energy: -206.956822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.956822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.956822 (E_RNA) where: Base-Base interactions energy: -140.382 where: short stacking energy: -69.781 Base-Backbone interact. energy: -0.153 local terms energy: -66.421503 where: bonds (distance) C4'-P energy: -15.706 bonds (distance) P-C4' energy: -12.903 flat angles C4'-P-C4' energy: -11.865 flat angles P-C4'-P energy: -7.637 tors. eta vs tors. theta energy: -18.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -189.273367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.273367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.273367 (E_RNA) where: Base-Base interactions energy: -136.805 where: short stacking energy: -45.014 Base-Backbone interact. energy: -0.322 local terms energy: -52.145565 where: bonds (distance) C4'-P energy: -7.505 bonds (distance) P-C4' energy: -11.339 flat angles C4'-P-C4' energy: -16.888 flat angles P-C4'-P energy: -9.181 tors. eta vs tors. theta energy: -7.232 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: 2 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -140.197042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.197042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.197042 (E_RNA) where: Base-Base interactions energy: -89.072 where: short stacking energy: -48.148 Base-Backbone interact. energy: 1.216 local terms energy: -52.340167 where: bonds (distance) C4'-P energy: -12.246 bonds (distance) P-C4' energy: -11.509 flat angles C4'-P-C4' energy: -11.821 flat angles P-C4'-P energy: -6.944 tors. eta vs tors. theta energy: -9.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -160.035613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.035613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.035613 (E_RNA) where: Base-Base interactions energy: -113.491 where: short stacking energy: -54.625 Base-Backbone interact. energy: -0.024 local terms energy: -46.520067 where: bonds (distance) C4'-P energy: -6.705 bonds (distance) P-C4' energy: -12.086 flat angles C4'-P-C4' energy: -10.125 flat angles P-C4'-P energy: -5.786 tors. eta vs tors. theta energy: -11.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -174.395458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.395458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.395458 (E_RNA) where: Base-Base interactions energy: -118.889 where: short stacking energy: -54.667 Base-Backbone interact. energy: -0.005 local terms energy: -55.501841 where: bonds (distance) C4'-P energy: -11.754 bonds (distance) P-C4' energy: -11.207 flat angles C4'-P-C4' energy: -13.093 flat angles P-C4'-P energy: -7.350 tors. eta vs tors. theta energy: -12.098 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: 6 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -93.259934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.259934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.259934 (E_RNA) where: Base-Base interactions energy: -39.555 where: short stacking energy: -39.555 Base-Backbone interact. energy: -0.015 local terms energy: -53.690630 where: bonds (distance) C4'-P energy: -10.684 bonds (distance) P-C4' energy: -15.784 flat angles C4'-P-C4' energy: -9.683 flat angles P-C4'-P energy: -10.304 tors. eta vs tors. theta energy: -7.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -79.570235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.570235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.570235 (E_RNA) where: Base-Base interactions energy: -36.039 where: short stacking energy: -33.380 Base-Backbone interact. energy: 0.485 local terms energy: -44.016099 where: bonds (distance) C4'-P energy: -11.632 bonds (distance) P-C4' energy: -10.165 flat angles C4'-P-C4' energy: -13.342 flat angles P-C4'-P energy: -7.270 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: 10, replica: 3 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -72.035867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.035867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.035867 (E_RNA) where: Base-Base interactions energy: -33.571 where: short stacking energy: -23.016 Base-Backbone interact. energy: -2.058 local terms energy: -36.406375 where: bonds (distance) C4'-P energy: -7.107 bonds (distance) P-C4' energy: -16.207 flat angles C4'-P-C4' energy: -6.411 flat angles P-C4'-P energy: -11.027 tors. eta vs tors. theta energy: 4.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -216.783046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.783046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.783046 (E_RNA) where: Base-Base interactions energy: -145.986 where: short stacking energy: -59.568 Base-Backbone interact. energy: -0.588 local terms energy: -70.208772 where: bonds (distance) C4'-P energy: -15.628 bonds (distance) P-C4' energy: -13.791 flat angles C4'-P-C4' energy: -15.368 flat angles P-C4'-P energy: -13.537 tors. eta vs tors. theta energy: -11.886 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: 8 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -208.816254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.816254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.816254 (E_RNA) where: Base-Base interactions energy: -138.482 where: short stacking energy: -55.008 Base-Backbone interact. energy: -0.007 local terms energy: -70.326586 where: bonds (distance) C4'-P energy: -13.952 bonds (distance) P-C4' energy: -13.867 flat angles C4'-P-C4' energy: -14.218 flat angles P-C4'-P energy: -11.594 tors. eta vs tors. theta energy: -16.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -199.976163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.976163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.976163 (E_RNA) where: Base-Base interactions energy: -142.543 where: short stacking energy: -56.236 Base-Backbone interact. energy: -0.106 local terms energy: -57.326905 where: bonds (distance) C4'-P energy: -11.835 bonds (distance) P-C4' energy: -14.179 flat angles C4'-P-C4' energy: -12.880 flat angles P-C4'-P energy: -7.833 tors. eta vs tors. theta energy: -10.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -208.225309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.225309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.225309 (E_RNA) where: Base-Base interactions energy: -140.297 where: short stacking energy: -67.634 Base-Backbone interact. energy: -0.795 local terms energy: -67.133779 where: bonds (distance) C4'-P energy: -9.182 bonds (distance) P-C4' energy: -16.027 flat angles C4'-P-C4' energy: -14.219 flat angles P-C4'-P energy: -9.117 tors. eta vs tors. theta energy: -18.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -173.471910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.471910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.471910 (E_RNA) where: Base-Base interactions energy: -115.931 where: short stacking energy: -46.509 Base-Backbone interact. energy: 0.274 local terms energy: -57.814838 where: bonds (distance) C4'-P energy: -13.197 bonds (distance) P-C4' energy: -14.383 flat angles C4'-P-C4' energy: -11.625 flat angles P-C4'-P energy: -7.562 tors. eta vs tors. theta energy: -11.048 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: 2 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -188.578014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.578014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.578014 (E_RNA) where: Base-Base interactions energy: -121.159 where: short stacking energy: -55.756 Base-Backbone interact. energy: -0.174 local terms energy: -67.244634 where: bonds (distance) C4'-P energy: -14.908 bonds (distance) P-C4' energy: -13.792 flat angles C4'-P-C4' energy: -12.674 flat angles P-C4'-P energy: -11.613 tors. eta vs tors. theta energy: -14.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -165.506376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.506376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.506376 (E_RNA) where: Base-Base interactions energy: -101.971 where: short stacking energy: -36.332 Base-Backbone interact. energy: -0.152 local terms energy: -63.383257 where: bonds (distance) C4'-P energy: -15.964 bonds (distance) P-C4' energy: -17.545 flat angles C4'-P-C4' energy: -13.128 flat angles P-C4'-P energy: -9.448 tors. eta vs tors. theta energy: -7.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -93.700048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.700048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.700048 (E_RNA) where: Base-Base interactions energy: -37.585 where: short stacking energy: -34.628 Base-Backbone interact. energy: 1.124 local terms energy: -57.238647 where: bonds (distance) C4'-P energy: -12.087 bonds (distance) P-C4' energy: -12.127 flat angles C4'-P-C4' energy: -12.135 flat angles P-C4'-P energy: -9.695 tors. eta vs tors. theta energy: -11.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -97.433322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.433322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.433322 (E_RNA) where: Base-Base interactions energy: -53.003 where: short stacking energy: -27.441 Base-Backbone interact. energy: -0.329 local terms energy: -44.101706 where: bonds (distance) C4'-P energy: -9.057 bonds (distance) P-C4' energy: -11.729 flat angles C4'-P-C4' energy: -12.874 flat angles P-C4'-P energy: -8.944 tors. eta vs tors. theta energy: -1.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -82.411492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.411492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.411492 (E_RNA) where: Base-Base interactions energy: -37.976 where: short stacking energy: -25.869 Base-Backbone interact. energy: -0.283 local terms energy: -44.152906 where: bonds (distance) C4'-P energy: -9.935 bonds (distance) P-C4' energy: -12.908 flat angles C4'-P-C4' energy: -11.424 flat angles P-C4'-P energy: -6.043 tors. eta vs tors. theta energy: -3.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -214.634619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.634619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.634619 (E_RNA) where: Base-Base interactions energy: -144.528 where: short stacking energy: -55.108 Base-Backbone interact. energy: -0.161 local terms energy: -69.945618 where: bonds (distance) C4'-P energy: -17.316 bonds (distance) P-C4' energy: -15.272 flat angles C4'-P-C4' energy: -14.807 flat angles P-C4'-P energy: -10.822 tors. eta vs tors. theta energy: -11.729 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: 2, replica: 8 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -200.925253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.925253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.925253 (E_RNA) where: Base-Base interactions energy: -139.198 where: short stacking energy: -60.909 Base-Backbone interact. energy: -0.114 local terms energy: -61.613247 where: bonds (distance) C4'-P energy: -13.811 bonds (distance) P-C4' energy: -13.442 flat angles C4'-P-C4' energy: -11.904 flat angles P-C4'-P energy: -9.537 tors. eta vs tors. theta energy: -12.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -198.658487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.658487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.658487 (E_RNA) where: Base-Base interactions energy: -133.100 where: short stacking energy: -54.931 Base-Backbone interact. energy: -0.095 local terms energy: -65.463902 where: bonds (distance) C4'-P energy: -14.969 bonds (distance) P-C4' energy: -13.741 flat angles C4'-P-C4' energy: -15.567 flat angles P-C4'-P energy: -8.820 tors. eta vs tors. theta energy: -12.367 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: 4, replica: 9 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -195.337996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.337996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.337996 (E_RNA) where: Base-Base interactions energy: -136.020 where: short stacking energy: -55.496 Base-Backbone interact. energy: 0.913 local terms energy: -60.230533 where: bonds (distance) C4'-P energy: -12.331 bonds (distance) P-C4' energy: -14.641 flat angles C4'-P-C4' energy: -12.141 flat angles P-C4'-P energy: -4.821 tors. eta vs tors. theta energy: -16.295 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: 315 Temperature: 1.100000 Total energy: -184.875202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.875202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.875202 (E_RNA) where: Base-Base interactions energy: -118.172 where: short stacking energy: -60.271 Base-Backbone interact. energy: -0.116 local terms energy: -66.587089 where: bonds (distance) C4'-P energy: -13.227 bonds (distance) P-C4' energy: -15.321 flat angles C4'-P-C4' energy: -17.297 flat angles P-C4'-P energy: -4.951 tors. eta vs tors. theta energy: -15.792 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: 6, replica: 5 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -176.373929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.373929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.373929 (E_RNA) where: Base-Base interactions energy: -118.959 where: short stacking energy: -48.604 Base-Backbone interact. energy: -0.087 local terms energy: -57.328246 where: bonds (distance) C4'-P energy: -13.090 bonds (distance) P-C4' energy: -11.975 flat angles C4'-P-C4' energy: -12.482 flat angles P-C4'-P energy: -9.251 tors. eta vs tors. theta energy: -10.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -185.817498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.817498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.817498 (E_RNA) where: Base-Base interactions energy: -115.451 where: short stacking energy: -55.481 Base-Backbone interact. energy: -0.060 local terms energy: -70.306363 where: bonds (distance) C4'-P energy: -14.794 bonds (distance) P-C4' energy: -15.953 flat angles C4'-P-C4' energy: -14.927 flat angles P-C4'-P energy: -12.418 tors. eta vs tors. theta energy: -12.215 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: 6 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -103.132842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.132842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.132842 (E_RNA) where: Base-Base interactions energy: -62.084 where: short stacking energy: -19.632 Base-Backbone interact. energy: -0.350 local terms energy: -40.699381 where: bonds (distance) C4'-P energy: -12.539 bonds (distance) P-C4' energy: -16.382 flat angles C4'-P-C4' energy: -11.806 flat angles P-C4'-P energy: -3.327 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: 9, replica: 3 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -85.274012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.274012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.274012 (E_RNA) where: Base-Base interactions energy: -35.475 where: short stacking energy: -35.475 Base-Backbone interact. energy: -0.052 local terms energy: -49.747375 where: bonds (distance) C4'-P energy: -15.049 bonds (distance) P-C4' energy: -13.973 flat angles C4'-P-C4' energy: -11.889 flat angles P-C4'-P energy: -1.568 tors. eta vs tors. theta energy: -7.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -78.050512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.050512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.050512 (E_RNA) where: Base-Base interactions energy: -29.990 where: short stacking energy: -28.523 Base-Backbone interact. energy: 0.575 local terms energy: -48.635452 where: bonds (distance) C4'-P energy: -12.513 bonds (distance) P-C4' energy: -14.253 flat angles C4'-P-C4' energy: -14.862 flat angles P-C4'-P energy: -10.143 tors. eta vs tors. theta energy: 3.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -213.761367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.761367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.761367 (E_RNA) where: Base-Base interactions energy: -144.578 where: short stacking energy: -57.986 Base-Backbone interact. energy: -0.413 local terms energy: -68.770835 where: bonds (distance) C4'-P energy: -11.649 bonds (distance) P-C4' energy: -15.042 flat angles C4'-P-C4' energy: -13.549 flat angles P-C4'-P energy: -9.467 tors. eta vs tors. theta energy: -19.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -201.581994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.581994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.581994 (E_RNA) where: Base-Base interactions energy: -137.077 where: short stacking energy: -60.201 Base-Backbone interact. energy: -0.026 local terms energy: -64.479117 where: bonds (distance) C4'-P energy: -17.465 bonds (distance) P-C4' energy: -10.126 flat angles C4'-P-C4' energy: -16.295 flat angles P-C4'-P energy: -4.816 tors. eta vs tors. theta energy: -15.776 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: 9 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -214.407915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.407915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.407915 (E_RNA) where: Base-Base interactions energy: -145.982 where: short stacking energy: -69.630 Base-Backbone interact. energy: -0.031 local terms energy: -68.394955 where: bonds (distance) C4'-P energy: -10.407 bonds (distance) P-C4' energy: -16.030 flat angles C4'-P-C4' energy: -12.198 flat angles P-C4'-P energy: -10.644 tors. eta vs tors. theta energy: -19.117 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: 4 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -181.664967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.664967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.664967 (E_RNA) where: Base-Base interactions energy: -119.470 where: short stacking energy: -59.988 Base-Backbone interact. energy: -0.062 local terms energy: -62.133091 where: bonds (distance) C4'-P energy: -12.094 bonds (distance) P-C4' energy: -12.796 flat angles C4'-P-C4' energy: -14.050 flat angles P-C4'-P energy: -10.397 tors. eta vs tors. theta energy: -12.796 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: 10 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -173.379867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.379867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.379867 (E_RNA) where: Base-Base interactions energy: -109.976 where: short stacking energy: -53.119 Base-Backbone interact. energy: -0.010 local terms energy: -63.394070 where: bonds (distance) C4'-P energy: -11.271 bonds (distance) P-C4' energy: -14.532 flat angles C4'-P-C4' energy: -14.819 flat angles P-C4'-P energy: -8.237 tors. eta vs tors. theta energy: -14.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -176.845983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.845983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.845983 (E_RNA) where: Base-Base interactions energy: -108.683 where: short stacking energy: -45.542 Base-Backbone interact. energy: -0.762 local terms energy: -67.401434 where: bonds (distance) C4'-P energy: -15.309 bonds (distance) P-C4' energy: -13.380 flat angles C4'-P-C4' energy: -12.305 flat angles P-C4'-P energy: -12.744 tors. eta vs tors. theta energy: -13.664 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: 2 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -171.658462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.658462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.658462 (E_RNA) where: Base-Base interactions energy: -122.030 where: short stacking energy: -47.157 Base-Backbone interact. energy: 0.028 local terms energy: -49.657148 where: bonds (distance) C4'-P energy: -7.260 bonds (distance) P-C4' energy: -13.451 flat angles C4'-P-C4' energy: -9.929 flat angles P-C4'-P energy: -7.144 tors. eta vs tors. theta energy: -11.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -155.243323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.243323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.243323 (E_RNA) where: Base-Base interactions energy: -100.440 where: short stacking energy: -47.649 Base-Backbone interact. energy: -0.033 local terms energy: -54.770157 where: bonds (distance) C4'-P energy: -11.305 bonds (distance) P-C4' energy: -13.060 flat angles C4'-P-C4' energy: -15.473 flat angles P-C4'-P energy: -6.182 tors. eta vs tors. theta energy: -8.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -88.836810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.836810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.836810 (E_RNA) where: Base-Base interactions energy: -47.363 where: short stacking energy: -40.305 Base-Backbone interact. energy: -0.145 local terms energy: -41.328348 where: bonds (distance) C4'-P energy: -5.641 bonds (distance) P-C4' energy: -12.343 flat angles C4'-P-C4' energy: -10.842 flat angles P-C4'-P energy: -4.644 tors. eta vs tors. theta energy: -7.859 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: 10, replica: 1 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -77.615898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.615898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.615898 (E_RNA) where: Base-Base interactions energy: -28.892 where: short stacking energy: -28.260 Base-Backbone interact. energy: -0.173 local terms energy: -48.550751 where: bonds (distance) C4'-P energy: -14.215 bonds (distance) P-C4' energy: -11.300 flat angles C4'-P-C4' energy: -12.425 flat angles P-C4'-P energy: -7.814 tors. eta vs tors. theta energy: -2.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -214.902841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.902841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.902841 (E_RNA) where: Base-Base interactions energy: -141.444 where: short stacking energy: -64.957 Base-Backbone interact. energy: -0.720 local terms energy: -72.738557 where: bonds (distance) C4'-P energy: -13.020 bonds (distance) P-C4' energy: -13.937 flat angles C4'-P-C4' energy: -15.497 flat angles P-C4'-P energy: -12.281 tors. eta vs tors. theta energy: -18.005 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: 2, replica: 9 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -210.677388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.677388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.677388 (E_RNA) where: Base-Base interactions energy: -138.829 where: short stacking energy: -57.567 Base-Backbone interact. energy: -0.010 local terms energy: -71.838251 where: bonds (distance) C4'-P energy: -11.065 bonds (distance) P-C4' energy: -17.051 flat angles C4'-P-C4' energy: -15.266 flat angles P-C4'-P energy: -11.396 tors. eta vs tors. theta energy: -17.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -189.554330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.554330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.554330 (E_RNA) where: Base-Base interactions energy: -127.870 where: short stacking energy: -54.625 Base-Backbone interact. energy: 0.610 local terms energy: -62.295217 where: bonds (distance) C4'-P energy: -12.522 bonds (distance) P-C4' energy: -13.606 flat angles C4'-P-C4' energy: -13.455 flat angles P-C4'-P energy: -9.290 tors. eta vs tors. theta energy: -13.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -188.625010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.625010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.625010 (E_RNA) where: Base-Base interactions energy: -119.910 where: short stacking energy: -61.233 Base-Backbone interact. energy: -0.001 local terms energy: -68.713721 where: bonds (distance) C4'-P energy: -11.857 bonds (distance) P-C4' energy: -13.966 flat angles C4'-P-C4' energy: -17.274 flat angles P-C4'-P energy: -10.586 tors. eta vs tors. theta energy: -15.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -168.441940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.441940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.441940 (E_RNA) where: Base-Base interactions energy: -111.853 where: short stacking energy: -52.488 Base-Backbone interact. energy: -0.184 local terms energy: -56.404583 where: bonds (distance) C4'-P energy: -13.522 bonds (distance) P-C4' energy: -13.088 flat angles C4'-P-C4' energy: -11.133 flat angles P-C4'-P energy: -7.731 tors. eta vs tors. theta energy: -10.931 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: 2 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -174.609877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.609877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.609877 (E_RNA) where: Base-Base interactions energy: -104.621 where: short stacking energy: -56.353 Base-Backbone interact. energy: -0.185 local terms energy: -69.804544 where: bonds (distance) C4'-P energy: -14.108 bonds (distance) P-C4' energy: -14.554 flat angles C4'-P-C4' energy: -16.772 flat angles P-C4'-P energy: -8.394 tors. eta vs tors. theta energy: -15.977 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: 5 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -163.577658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.577658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.577658 (E_RNA) where: Base-Base interactions energy: -111.547 where: short stacking energy: -54.151 Base-Backbone interact. energy: -0.016 local terms energy: -52.013968 where: bonds (distance) C4'-P energy: -11.380 bonds (distance) P-C4' energy: -15.091 flat angles C4'-P-C4' energy: -6.668 flat angles P-C4'-P energy: -7.118 tors. eta vs tors. theta energy: -11.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -95.201732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.201732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.201732 (E_RNA) where: Base-Base interactions energy: -45.264 where: short stacking energy: -35.351 Base-Backbone interact. energy: -0.342 local terms energy: -49.596064 where: bonds (distance) C4'-P energy: -13.387 bonds (distance) P-C4' energy: -13.884 flat angles C4'-P-C4' energy: -9.226 flat angles P-C4'-P energy: -12.257 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: 9, replica: 6 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -146.048292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.048292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.048292 (E_RNA) where: Base-Base interactions energy: -88.368 where: short stacking energy: -39.329 Base-Backbone interact. energy: -0.020 local terms energy: -57.660524 where: bonds (distance) C4'-P energy: -12.902 bonds (distance) P-C4' energy: -13.852 flat angles C4'-P-C4' energy: -11.783 flat angles P-C4'-P energy: -9.542 tors. eta vs tors. theta energy: -9.581 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: 1 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -87.201573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.201573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.201573 (E_RNA) where: Base-Base interactions energy: -35.116 where: short stacking energy: -35.116 Base-Backbone interact. energy: -1.284 local terms energy: -50.801510 where: bonds (distance) C4'-P energy: -9.819 bonds (distance) P-C4' energy: -15.794 flat angles C4'-P-C4' energy: -14.494 flat angles P-C4'-P energy: -5.966 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: 1, replica: 9 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -219.224109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.224109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.224109 (E_RNA) where: Base-Base interactions energy: -144.226 where: short stacking energy: -69.894 Base-Backbone interact. energy: -0.001 local terms energy: -74.997810 where: bonds (distance) C4'-P energy: -9.935 bonds (distance) P-C4' energy: -16.830 flat angles C4'-P-C4' energy: -15.544 flat angles P-C4'-P energy: -10.864 tors. eta vs tors. theta energy: -21.826 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: 2, replica: 7 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -202.941097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.941097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.941097 (E_RNA) where: Base-Base interactions energy: -130.173 where: short stacking energy: -64.316 Base-Backbone interact. energy: -0.035 local terms energy: -72.733089 where: bonds (distance) C4'-P energy: -10.717 bonds (distance) P-C4' energy: -15.374 flat angles C4'-P-C4' energy: -16.521 flat angles P-C4'-P energy: -13.724 tors. eta vs tors. theta energy: -16.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -199.055255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.055255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.055255 (E_RNA) where: Base-Base interactions energy: -126.369 where: short stacking energy: -53.270 Base-Backbone interact. energy: -1.362 local terms energy: -71.324590 where: bonds (distance) C4'-P energy: -15.618 bonds (distance) P-C4' energy: -17.073 flat angles C4'-P-C4' energy: -16.692 flat angles P-C4'-P energy: -8.863 tors. eta vs tors. theta energy: -13.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -188.780537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.780537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.780537 (E_RNA) where: Base-Base interactions energy: -126.948 where: short stacking energy: -44.397 Base-Backbone interact. energy: -0.173 local terms energy: -61.658798 where: bonds (distance) C4'-P energy: -13.525 bonds (distance) P-C4' energy: -12.683 flat angles C4'-P-C4' energy: -10.421 flat angles P-C4'-P energy: -9.532 tors. eta vs tors. theta energy: -15.497 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: 318 Temperature: 1.100000 Total energy: -181.657938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.657938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.657938 (E_RNA) where: Base-Base interactions energy: -117.332 where: short stacking energy: -61.045 Base-Backbone interact. energy: -0.101 local terms energy: -64.225366 where: bonds (distance) C4'-P energy: -9.415 bonds (distance) P-C4' energy: -13.480 flat angles C4'-P-C4' energy: -17.115 flat angles P-C4'-P energy: -8.613 tors. eta vs tors. theta energy: -15.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -173.775600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.775600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.775600 (E_RNA) where: Base-Base interactions energy: -114.032 where: short stacking energy: -45.939 Base-Backbone interact. energy: 0.777 local terms energy: -60.520275 where: bonds (distance) C4'-P energy: -12.022 bonds (distance) P-C4' energy: -13.007 flat angles C4'-P-C4' energy: -17.289 flat angles P-C4'-P energy: -7.383 tors. eta vs tors. theta energy: -10.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -181.193423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.193423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.193423 (E_RNA) where: Base-Base interactions energy: -120.027 where: short stacking energy: -40.640 Base-Backbone interact. energy: -1.091 local terms energy: -60.075338 where: bonds (distance) C4'-P energy: -11.683 bonds (distance) P-C4' energy: -17.352 flat angles C4'-P-C4' energy: -10.196 flat angles P-C4'-P energy: -7.411 tors. eta vs tors. theta energy: -13.434 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: 8, replica: 3 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -96.647593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.647593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.647593 (E_RNA) where: Base-Base interactions energy: -34.755 where: short stacking energy: -34.755 Base-Backbone interact. energy: -0.029 local terms energy: -61.863634 where: bonds (distance) C4'-P energy: -13.676 bonds (distance) P-C4' energy: -17.280 flat angles C4'-P-C4' energy: -16.079 flat angles P-C4'-P energy: -6.904 tors. eta vs tors. theta energy: -7.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -140.127794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.127794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.127794 (E_RNA) where: Base-Base interactions energy: -84.792 where: short stacking energy: -41.539 Base-Backbone interact. energy: -0.012 local terms energy: -55.323618 where: bonds (distance) C4'-P energy: -14.655 bonds (distance) P-C4' energy: -14.187 flat angles C4'-P-C4' energy: -12.904 flat angles P-C4'-P energy: -9.916 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: 10, replica: 1 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -86.839896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.839896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.839896 (E_RNA) where: Base-Base interactions energy: -44.771 where: short stacking energy: -31.485 Base-Backbone interact. energy: -0.006 local terms energy: -42.063027 where: bonds (distance) C4'-P energy: -8.151 bonds (distance) P-C4' energy: -13.501 flat angles C4'-P-C4' energy: -11.939 flat angles P-C4'-P energy: -6.178 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: 9 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -210.444482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.444482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.444482 (E_RNA) where: Base-Base interactions energy: -135.081 where: short stacking energy: -61.704 Base-Backbone interact. energy: -0.587 local terms energy: -74.776888 where: bonds (distance) C4'-P energy: -14.510 bonds (distance) P-C4' energy: -14.364 flat angles C4'-P-C4' energy: -16.873 flat angles P-C4'-P energy: -8.340 tors. eta vs tors. theta energy: -20.690 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: 2, replica: 7 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -210.328550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.328550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.328550 (E_RNA) where: Base-Base interactions energy: -137.349 where: short stacking energy: -71.564 Base-Backbone interact. energy: -0.874 local terms energy: -72.105962 where: bonds (distance) C4'-P energy: -15.404 bonds (distance) P-C4' energy: -15.585 flat angles C4'-P-C4' energy: -14.309 flat angles P-C4'-P energy: -6.484 tors. eta vs tors. theta energy: -20.325 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: 4 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -189.682961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.682961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.682961 (E_RNA) where: Base-Base interactions energy: -127.736 where: short stacking energy: -53.459 Base-Backbone interact. energy: -0.207 local terms energy: -61.739725 where: bonds (distance) C4'-P energy: -13.049 bonds (distance) P-C4' energy: -16.703 flat angles C4'-P-C4' energy: -9.490 flat angles P-C4'-P energy: -9.446 tors. eta vs tors. theta energy: -13.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -174.132626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.132626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.132626 (E_RNA) where: Base-Base interactions energy: -114.723 where: short stacking energy: -58.384 Base-Backbone interact. energy: -0.043 local terms energy: -59.366908 where: bonds (distance) C4'-P energy: -11.309 bonds (distance) P-C4' energy: -12.469 flat angles C4'-P-C4' energy: -12.940 flat angles P-C4'-P energy: -8.987 tors. eta vs tors. theta energy: -13.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -191.119899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.119899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.119899 (E_RNA) where: Base-Base interactions energy: -135.882 where: short stacking energy: -58.353 Base-Backbone interact. energy: -0.123 local terms energy: -55.114440 where: bonds (distance) C4'-P energy: -13.227 bonds (distance) P-C4' energy: -7.085 flat angles C4'-P-C4' energy: -11.308 flat angles P-C4'-P energy: -10.056 tors. eta vs tors. theta energy: -13.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -179.495320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.495320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.495320 (E_RNA) where: Base-Base interactions energy: -121.372 where: short stacking energy: -51.052 Base-Backbone interact. energy: -0.038 local terms energy: -58.086073 where: bonds (distance) C4'-P energy: -13.591 bonds (distance) P-C4' energy: -11.914 flat angles C4'-P-C4' energy: -14.632 flat angles P-C4'-P energy: -5.976 tors. eta vs tors. theta energy: -11.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -170.059383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.059383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.059383 (E_RNA) where: Base-Base interactions energy: -116.396 where: short stacking energy: -54.201 Base-Backbone interact. energy: -0.027 local terms energy: -53.636389 where: bonds (distance) C4'-P energy: -10.853 bonds (distance) P-C4' energy: -12.009 flat angles C4'-P-C4' energy: -13.342 flat angles P-C4'-P energy: -4.730 tors. eta vs tors. theta energy: -12.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -146.874534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.874534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.874534 (E_RNA) where: Base-Base interactions energy: -99.236 where: short stacking energy: -38.075 Base-Backbone interact. energy: -0.167 local terms energy: -47.471927 where: bonds (distance) C4'-P energy: -9.126 bonds (distance) P-C4' energy: -9.951 flat angles C4'-P-C4' energy: -7.757 flat angles P-C4'-P energy: -10.486 tors. eta vs tors. theta energy: -10.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -96.745235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.745235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.745235 (E_RNA) where: Base-Base interactions energy: -56.553 where: short stacking energy: -28.684 Base-Backbone interact. energy: -0.215 local terms energy: -39.977052 where: bonds (distance) C4'-P energy: -13.379 bonds (distance) P-C4' energy: -13.108 flat angles C4'-P-C4' energy: -9.212 flat angles P-C4'-P energy: -2.375 tors. eta vs tors. theta energy: -1.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -72.511904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.511904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.511904 (E_RNA) where: Base-Base interactions energy: -29.356 where: short stacking energy: -28.425 Base-Backbone interact. energy: -0.125 local terms energy: -43.030264 where: bonds (distance) C4'-P energy: -7.058 bonds (distance) P-C4' energy: -11.121 flat angles C4'-P-C4' energy: -11.525 flat angles P-C4'-P energy: -10.859 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: 1, replica: 7 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -215.899557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.899557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.899557 (E_RNA) where: Base-Base interactions energy: -145.211 where: short stacking energy: -66.952 Base-Backbone interact. energy: -0.097 local terms energy: -70.590907 where: bonds (distance) C4'-P energy: -11.546 bonds (distance) P-C4' energy: -16.901 flat angles C4'-P-C4' energy: -14.694 flat angles P-C4'-P energy: -7.686 tors. eta vs tors. theta energy: -19.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -209.999042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.999042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.999042 (E_RNA) where: Base-Base interactions energy: -149.064 where: short stacking energy: -66.037 Base-Backbone interact. energy: -0.013 local terms energy: -60.921764 where: bonds (distance) C4'-P energy: -11.983 bonds (distance) P-C4' energy: -14.714 flat angles C4'-P-C4' energy: -10.996 flat angles P-C4'-P energy: -5.649 tors. eta vs tors. theta energy: -17.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -186.192658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.192658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.192658 (E_RNA) where: Base-Base interactions energy: -118.822 where: short stacking energy: -61.764 Base-Backbone interact. energy: -0.004 local terms energy: -67.366730 where: bonds (distance) C4'-P energy: -12.412 bonds (distance) P-C4' energy: -14.864 flat angles C4'-P-C4' energy: -15.697 flat angles P-C4'-P energy: -8.127 tors. eta vs tors. theta energy: -16.267 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: 4 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -194.454064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.454064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.454064 (E_RNA) where: Base-Base interactions energy: -134.080 where: short stacking energy: -67.120 Base-Backbone interact. energy: -0.169 local terms energy: -60.204945 where: bonds (distance) C4'-P energy: -12.953 bonds (distance) P-C4' energy: -13.486 flat angles C4'-P-C4' energy: -7.515 flat angles P-C4'-P energy: -8.738 tors. eta vs tors. theta energy: -17.513 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: 5, replica: 8 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -195.451624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.451624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.451624 (E_RNA) where: Base-Base interactions energy: -128.974 where: short stacking energy: -52.328 Base-Backbone interact. energy: -0.215 local terms energy: -66.262176 where: bonds (distance) C4'-P energy: -13.082 bonds (distance) P-C4' energy: -16.066 flat angles C4'-P-C4' energy: -14.628 flat angles P-C4'-P energy: -10.361 tors. eta vs tors. theta energy: -12.125 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: 5 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -179.937828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.937828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.937828 (E_RNA) where: Base-Base interactions energy: -116.743 where: short stacking energy: -53.623 Base-Backbone interact. energy: -0.105 local terms energy: -63.089349 where: bonds (distance) C4'-P energy: -16.268 bonds (distance) P-C4' energy: -15.128 flat angles C4'-P-C4' energy: -10.490 flat angles P-C4'-P energy: -6.532 tors. eta vs tors. theta energy: -14.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -143.940347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.940347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.940347 (E_RNA) where: Base-Base interactions energy: -84.184 where: short stacking energy: -40.534 Base-Backbone interact. energy: -0.133 local terms energy: -59.623288 where: bonds (distance) C4'-P energy: -14.671 bonds (distance) P-C4' energy: -13.190 flat angles C4'-P-C4' energy: -12.519 flat angles P-C4'-P energy: -10.321 tors. eta vs tors. theta energy: -8.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -162.481347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.481347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.481347 (E_RNA) where: Base-Base interactions energy: -104.620 where: short stacking energy: -56.489 Base-Backbone interact. energy: -0.020 local terms energy: -57.842129 where: bonds (distance) C4'-P energy: -9.905 bonds (distance) P-C4' energy: -12.768 flat angles C4'-P-C4' energy: -13.228 flat angles P-C4'-P energy: -5.975 tors. eta vs tors. theta energy: -15.965 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: 320 Temperature: 1.300000 Total energy: -113.990383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.990383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.990383 (E_RNA) where: Base-Base interactions energy: -76.971 where: short stacking energy: -31.111 Base-Backbone interact. energy: 1.583 local terms energy: -38.602188 where: bonds (distance) C4'-P energy: -9.048 bonds (distance) P-C4' energy: -16.020 flat angles C4'-P-C4' energy: -7.322 flat angles P-C4'-P energy: -6.299 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: 10, replica: 1 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -68.301056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.301056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.301056 (E_RNA) where: Base-Base interactions energy: -35.369 where: short stacking energy: -17.616 Base-Backbone interact. energy: -0.301 local terms energy: -32.630884 where: bonds (distance) C4'-P energy: -11.261 bonds (distance) P-C4' energy: -14.429 flat angles C4'-P-C4' energy: -5.981 flat angles P-C4'-P energy: -7.123 tors. eta vs tors. theta energy: 6.163 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: 1, replica: 7 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -213.824058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.824058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.824058 (E_RNA) where: Base-Base interactions energy: -144.398 where: short stacking energy: -70.039 Base-Backbone interact. energy: -0.201 local terms energy: -69.225185 where: bonds (distance) C4'-P energy: -15.077 bonds (distance) P-C4' energy: -11.260 flat angles C4'-P-C4' energy: -15.173 flat angles P-C4'-P energy: -11.615 tors. eta vs tors. theta energy: -16.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -189.070715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.070715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.070715 (E_RNA) where: Base-Base interactions energy: -123.682 where: short stacking energy: -57.218 Base-Backbone interact. energy: -0.103 local terms energy: -65.286279 where: bonds (distance) C4'-P energy: -12.886 bonds (distance) P-C4' energy: -16.207 flat angles C4'-P-C4' energy: -16.013 flat angles P-C4'-P energy: -8.420 tors. eta vs tors. theta energy: -11.759 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: 9 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -197.824046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.824046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.824046 (E_RNA) where: Base-Base interactions energy: -128.329 where: short stacking energy: -53.308 Base-Backbone interact. energy: -0.003 local terms energy: -69.492534 where: bonds (distance) C4'-P energy: -14.526 bonds (distance) P-C4' energy: -14.521 flat angles C4'-P-C4' energy: -13.820 flat angles P-C4'-P energy: -9.945 tors. eta vs tors. theta energy: -16.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -191.487971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.487971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.487971 (E_RNA) where: Base-Base interactions energy: -138.344 where: short stacking energy: -49.063 Base-Backbone interact. energy: -0.009 local terms energy: -53.135058 where: bonds (distance) C4'-P energy: -15.400 bonds (distance) P-C4' energy: -10.677 flat angles C4'-P-C4' energy: -9.229 flat angles P-C4'-P energy: -6.116 tors. eta vs tors. theta energy: -11.713 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: 4 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -195.835279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.835279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.835279 (E_RNA) where: Base-Base interactions energy: -131.605 where: short stacking energy: -58.832 Base-Backbone interact. energy: -0.000 local terms energy: -64.229986 where: bonds (distance) C4'-P energy: -12.419 bonds (distance) P-C4' energy: -14.523 flat angles C4'-P-C4' energy: -14.232 flat angles P-C4'-P energy: -8.821 tors. eta vs tors. theta energy: -14.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -162.472399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.472399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.472399 (E_RNA) where: Base-Base interactions energy: -106.354 where: short stacking energy: -38.602 Base-Backbone interact. energy: -0.042 local terms energy: -56.075871 where: bonds (distance) C4'-P energy: -16.882 bonds (distance) P-C4' energy: -12.395 flat angles C4'-P-C4' energy: -8.898 flat angles P-C4'-P energy: -9.009 tors. eta vs tors. theta energy: -8.892 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: 2 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -132.496092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.496092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.496092 (E_RNA) where: Base-Base interactions energy: -88.619 where: short stacking energy: -41.791 Base-Backbone interact. energy: -0.143 local terms energy: -43.734013 where: bonds (distance) C4'-P energy: -3.828 bonds (distance) P-C4' energy: -12.222 flat angles C4'-P-C4' energy: -10.843 flat angles P-C4'-P energy: -7.553 tors. eta vs tors. theta energy: -9.288 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: 6 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -161.861960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.861960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.861960 (E_RNA) where: Base-Base interactions energy: -101.697 where: short stacking energy: -43.666 Base-Backbone interact. energy: -1.119 local terms energy: -59.045797 where: bonds (distance) C4'-P energy: -11.819 bonds (distance) P-C4' energy: -13.751 flat angles C4'-P-C4' energy: -14.408 flat angles P-C4'-P energy: -10.970 tors. eta vs tors. theta energy: -8.097 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: 3 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -82.341875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.341875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.341875 (E_RNA) where: Base-Base interactions energy: -39.704 where: short stacking energy: -24.999 Base-Backbone interact. energy: -0.299 local terms energy: -42.339198 where: bonds (distance) C4'-P energy: -12.582 bonds (distance) P-C4' energy: -14.797 flat angles C4'-P-C4' energy: -10.010 flat angles P-C4'-P energy: -1.782 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: 10, replica: 1 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -96.751390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.751390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.751390 (E_RNA) where: Base-Base interactions energy: -51.336 where: short stacking energy: -21.714 Base-Backbone interact. energy: -0.199 local terms energy: -45.216127 where: bonds (distance) C4'-P energy: -12.290 bonds (distance) P-C4' energy: -13.681 flat angles C4'-P-C4' energy: -12.047 flat angles P-C4'-P energy: -8.680 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: 1, replica: 7 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -215.385857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.385857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.385857 (E_RNA) where: Base-Base interactions energy: -138.303 where: short stacking energy: -61.623 Base-Backbone interact. energy: -1.484 local terms energy: -75.599039 where: bonds (distance) C4'-P energy: -15.368 bonds (distance) P-C4' energy: -15.784 flat angles C4'-P-C4' energy: -17.512 flat angles P-C4'-P energy: -11.970 tors. eta vs tors. theta energy: -14.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -204.881007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.881007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.881007 (E_RNA) where: Base-Base interactions energy: -129.759 where: short stacking energy: -67.159 Base-Backbone interact. energy: -0.091 local terms energy: -75.031104 where: bonds (distance) C4'-P energy: -12.300 bonds (distance) P-C4' energy: -16.030 flat angles C4'-P-C4' energy: -14.077 flat angles P-C4'-P energy: -11.363 tors. eta vs tors. theta energy: -21.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -193.860504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.860504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.860504 (E_RNA) where: Base-Base interactions energy: -129.190 where: short stacking energy: -58.111 Base-Backbone interact. energy: -0.037 local terms energy: -64.633299 where: bonds (distance) C4'-P energy: -10.176 bonds (distance) P-C4' energy: -14.380 flat angles C4'-P-C4' energy: -14.190 flat angles P-C4'-P energy: -10.582 tors. eta vs tors. theta energy: -15.306 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: 9 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -188.229941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.229941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.229941 (E_RNA) where: Base-Base interactions energy: -124.431 where: short stacking energy: -47.093 Base-Backbone interact. energy: -0.758 local terms energy: -63.040390 where: bonds (distance) C4'-P energy: -14.634 bonds (distance) P-C4' energy: -14.818 flat angles C4'-P-C4' energy: -14.077 flat angles P-C4'-P energy: -7.347 tors. eta vs tors. theta energy: -12.165 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: 322 Temperature: 1.100000 Total energy: -185.079130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.079130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.079130 (E_RNA) where: Base-Base interactions energy: -126.712 where: short stacking energy: -59.133 Base-Backbone interact. energy: 1.407 local terms energy: -59.774164 where: bonds (distance) C4'-P energy: -9.735 bonds (distance) P-C4' energy: -10.711 flat angles C4'-P-C4' energy: -14.819 flat angles P-C4'-P energy: -11.274 tors. eta vs tors. theta energy: -13.236 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: 322 Temperature: 1.150000 Total energy: -177.562266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.562266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.562266 (E_RNA) where: Base-Base interactions energy: -112.381 where: short stacking energy: -55.094 Base-Backbone interact. energy: -0.659 local terms energy: -64.522025 where: bonds (distance) C4'-P energy: -12.950 bonds (distance) P-C4' energy: -15.504 flat angles C4'-P-C4' energy: -13.874 flat angles P-C4'-P energy: -9.075 tors. eta vs tors. theta energy: -13.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -141.333705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.333705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.333705 (E_RNA) where: Base-Base interactions energy: -94.279 where: short stacking energy: -44.102 Base-Backbone interact. energy: 2.515 local terms energy: -49.569623 where: bonds (distance) C4'-P energy: -9.778 bonds (distance) P-C4' energy: -7.931 flat angles C4'-P-C4' energy: -14.969 flat angles P-C4'-P energy: -10.856 tors. eta vs tors. theta energy: -6.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -162.148761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.148761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.148761 (E_RNA) where: Base-Base interactions energy: -101.320 where: short stacking energy: -44.411 Base-Backbone interact. energy: -0.115 local terms energy: -60.713720 where: bonds (distance) C4'-P energy: -12.013 bonds (distance) P-C4' energy: -14.674 flat angles C4'-P-C4' energy: -11.365 flat angles P-C4'-P energy: -9.522 tors. eta vs tors. theta energy: -13.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -73.803043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.803043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.803043 (E_RNA) where: Base-Base interactions energy: -33.445 where: short stacking energy: -23.272 Base-Backbone interact. energy: -0.261 local terms energy: -40.097224 where: bonds (distance) C4'-P energy: -9.301 bonds (distance) P-C4' energy: -10.733 flat angles C4'-P-C4' energy: -11.205 flat angles P-C4'-P energy: -7.153 tors. eta vs tors. theta energy: -1.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -82.407933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.407933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.407933 (E_RNA) where: Base-Base interactions energy: -36.535 where: short stacking energy: -23.624 Base-Backbone interact. energy: 0.591 local terms energy: -46.463900 where: bonds (distance) C4'-P energy: -13.570 bonds (distance) P-C4' energy: -16.597 flat angles C4'-P-C4' energy: -5.147 flat angles P-C4'-P energy: -8.404 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: 1, replica: 7 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -222.854289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.854289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.854289 (E_RNA) where: Base-Base interactions energy: -151.552 where: short stacking energy: -64.974 Base-Backbone interact. energy: -0.128 local terms energy: -71.174390 where: bonds (distance) C4'-P energy: -11.020 bonds (distance) P-C4' energy: -16.442 flat angles C4'-P-C4' energy: -15.311 flat angles P-C4'-P energy: -8.148 tors. eta vs tors. theta energy: -20.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -194.486813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.486813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.486813 (E_RNA) where: Base-Base interactions energy: -130.126 where: short stacking energy: -53.513 Base-Backbone interact. energy: 0.743 local terms energy: -65.103535 where: bonds (distance) C4'-P energy: -12.768 bonds (distance) P-C4' energy: -14.881 flat angles C4'-P-C4' energy: -14.181 flat angles P-C4'-P energy: -7.716 tors. eta vs tors. theta energy: -15.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -194.117030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.117030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.117030 (E_RNA) where: Base-Base interactions energy: -127.226 where: short stacking energy: -56.766 Base-Backbone interact. energy: -0.003 local terms energy: -66.888369 where: bonds (distance) C4'-P energy: -12.709 bonds (distance) P-C4' energy: -15.761 flat angles C4'-P-C4' energy: -12.557 flat angles P-C4'-P energy: -9.742 tors. eta vs tors. theta energy: -16.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -196.141872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.141872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.141872 (E_RNA) where: Base-Base interactions energy: -131.779 where: short stacking energy: -61.038 Base-Backbone interact. energy: -0.002 local terms energy: -64.361259 where: bonds (distance) C4'-P energy: -10.701 bonds (distance) P-C4' energy: -13.281 flat angles C4'-P-C4' energy: -14.300 flat angles P-C4'-P energy: -6.753 tors. eta vs tors. theta energy: -19.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -184.295617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.295617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.295617 (E_RNA) where: Base-Base interactions energy: -122.641 where: short stacking energy: -51.619 Base-Backbone interact. energy: -0.178 local terms energy: -61.476090 where: bonds (distance) C4'-P energy: -14.427 bonds (distance) P-C4' energy: -13.157 flat angles C4'-P-C4' energy: -16.865 flat angles P-C4'-P energy: -2.233 tors. eta vs tors. theta energy: -14.793 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: 5 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -193.636402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.636402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.636402 (E_RNA) where: Base-Base interactions energy: -127.749 where: short stacking energy: -57.945 Base-Backbone interact. energy: -0.060 local terms energy: -65.826948 where: bonds (distance) C4'-P energy: -13.921 bonds (distance) P-C4' energy: -12.396 flat angles C4'-P-C4' energy: -13.176 flat angles P-C4'-P energy: -9.392 tors. eta vs tors. theta energy: -16.942 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: 2 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -152.188369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.188369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.188369 (E_RNA) where: Base-Base interactions energy: -91.906 where: short stacking energy: -47.469 Base-Backbone interact. energy: -0.145 local terms energy: -60.137519 where: bonds (distance) C4'-P energy: -11.692 bonds (distance) P-C4' energy: -16.585 flat angles C4'-P-C4' energy: -12.913 flat angles P-C4'-P energy: -5.498 tors. eta vs tors. theta energy: -13.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -165.074561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.074561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.074561 (E_RNA) where: Base-Base interactions energy: -112.210 where: short stacking energy: -51.273 Base-Backbone interact. energy: -0.015 local terms energy: -52.849053 where: bonds (distance) C4'-P energy: -10.091 bonds (distance) P-C4' energy: -12.263 flat angles C4'-P-C4' energy: -10.276 flat angles P-C4'-P energy: -4.797 tors. eta vs tors. theta energy: -15.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -75.683999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.683999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.683999 (E_RNA) where: Base-Base interactions energy: -28.667 where: short stacking energy: -23.118 Base-Backbone interact. energy: -0.041 local terms energy: -46.976148 where: bonds (distance) C4'-P energy: -13.835 bonds (distance) P-C4' energy: -15.982 flat angles C4'-P-C4' energy: -8.496 flat angles P-C4'-P energy: -6.975 tors. eta vs tors. theta energy: -1.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -81.605648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.605648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.605648 (E_RNA) where: Base-Base interactions energy: -45.527 where: short stacking energy: -31.973 Base-Backbone interact. energy: -0.277 local terms energy: -35.801555 where: bonds (distance) C4'-P energy: -8.645 bonds (distance) P-C4' energy: -8.973 flat angles C4'-P-C4' energy: -7.328 flat angles P-C4'-P energy: -9.518 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: 1, replica: 7 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -210.936202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.936202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.936202 (E_RNA) where: Base-Base interactions energy: -139.397 where: short stacking energy: -66.196 Base-Backbone interact. energy: -0.249 local terms energy: -71.290028 where: bonds (distance) C4'-P energy: -12.438 bonds (distance) P-C4' energy: -16.277 flat angles C4'-P-C4' energy: -14.534 flat angles P-C4'-P energy: -12.399 tors. eta vs tors. theta energy: -15.642 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: 8 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -197.916958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.916958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.916958 (E_RNA) where: Base-Base interactions energy: -130.338 where: short stacking energy: -66.133 Base-Backbone interact. energy: -0.000 local terms energy: -67.578491 where: bonds (distance) C4'-P energy: -13.276 bonds (distance) P-C4' energy: -13.230 flat angles C4'-P-C4' energy: -12.266 flat angles P-C4'-P energy: -11.115 tors. eta vs tors. theta energy: -17.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -202.891691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.891691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.891691 (E_RNA) where: Base-Base interactions energy: -131.977 where: short stacking energy: -59.317 Base-Backbone interact. energy: -0.007 local terms energy: -70.907719 where: bonds (distance) C4'-P energy: -13.988 bonds (distance) P-C4' energy: -16.396 flat angles C4'-P-C4' energy: -14.036 flat angles P-C4'-P energy: -8.579 tors. eta vs tors. theta energy: -17.909 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: 10 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -189.846826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.846826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.846826 (E_RNA) where: Base-Base interactions energy: -127.483 where: short stacking energy: -59.827 Base-Backbone interact. energy: -0.002 local terms energy: -62.361659 where: bonds (distance) C4'-P energy: -9.595 bonds (distance) P-C4' energy: -12.515 flat angles C4'-P-C4' energy: -15.981 flat angles P-C4'-P energy: -7.880 tors. eta vs tors. theta energy: -16.391 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: 324 Temperature: 1.100000 Total energy: -203.240653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.240653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.240653 (E_RNA) where: Base-Base interactions energy: -139.362 where: short stacking energy: -61.097 Base-Backbone interact. energy: -0.044 local terms energy: -63.834645 where: bonds (distance) C4'-P energy: -12.874 bonds (distance) P-C4' energy: -13.604 flat angles C4'-P-C4' energy: -14.195 flat angles P-C4'-P energy: -7.828 tors. eta vs tors. theta energy: -15.334 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: 4 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -178.011163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.011163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.011163 (E_RNA) where: Base-Base interactions energy: -111.543 where: short stacking energy: -55.936 Base-Backbone interact. energy: -0.007 local terms energy: -66.460535 where: bonds (distance) C4'-P energy: -13.081 bonds (distance) P-C4' energy: -13.247 flat angles C4'-P-C4' energy: -13.848 flat angles P-C4'-P energy: -7.872 tors. eta vs tors. theta energy: -18.413 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: 6 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -182.045021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.045021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.045021 (E_RNA) where: Base-Base interactions energy: -125.066 where: short stacking energy: -53.095 Base-Backbone interact. energy: -0.039 local terms energy: -56.939531 where: bonds (distance) C4'-P energy: -12.911 bonds (distance) P-C4' energy: -14.265 flat angles C4'-P-C4' energy: -12.591 flat angles P-C4'-P energy: -4.288 tors. eta vs tors. theta energy: -12.884 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: 2 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -165.866623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.866623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.866623 (E_RNA) where: Base-Base interactions energy: -112.426 where: short stacking energy: -49.513 Base-Backbone interact. energy: -0.657 local terms energy: -52.783084 where: bonds (distance) C4'-P energy: -11.467 bonds (distance) P-C4' energy: -7.776 flat angles C4'-P-C4' energy: -13.820 flat angles P-C4'-P energy: -9.242 tors. eta vs tors. theta energy: -10.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -88.529683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.529683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.529683 (E_RNA) where: Base-Base interactions energy: -42.894 where: short stacking energy: -21.230 Base-Backbone interact. energy: -0.166 local terms energy: -45.470198 where: bonds (distance) C4'-P energy: -12.918 bonds (distance) P-C4' energy: -13.517 flat angles C4'-P-C4' energy: -9.989 flat angles P-C4'-P energy: -9.070 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: 1 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -86.543389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.543389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.543389 (E_RNA) where: Base-Base interactions energy: -37.866 where: short stacking energy: -36.911 Base-Backbone interact. energy: -0.203 local terms energy: -48.474988 where: bonds (distance) C4'-P energy: -15.549 bonds (distance) P-C4' energy: -14.121 flat angles C4'-P-C4' energy: -8.616 flat angles P-C4'-P energy: -6.172 tors. eta vs tors. theta energy: -4.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -208.784047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.784047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.784047 (E_RNA) where: Base-Base interactions energy: -139.447 where: short stacking energy: -62.521 Base-Backbone interact. energy: -0.516 local terms energy: -68.820912 where: bonds (distance) C4'-P energy: -15.081 bonds (distance) P-C4' energy: -14.584 flat angles C4'-P-C4' energy: -13.432 flat angles P-C4'-P energy: -10.013 tors. eta vs tors. theta energy: -15.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -212.170065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.170065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.170065 (E_RNA) where: Base-Base interactions energy: -144.433 where: short stacking energy: -67.652 Base-Backbone interact. energy: -0.006 local terms energy: -67.731855 where: bonds (distance) C4'-P energy: -12.034 bonds (distance) P-C4' energy: -13.336 flat angles C4'-P-C4' energy: -15.827 flat angles P-C4'-P energy: -8.332 tors. eta vs tors. theta energy: -18.202 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: 8 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -193.228573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.228573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.228573 (E_RNA) where: Base-Base interactions energy: -120.738 where: short stacking energy: -45.449 Base-Backbone interact. energy: 0.339 local terms energy: -72.830079 where: bonds (distance) C4'-P energy: -15.304 bonds (distance) P-C4' energy: -14.250 flat angles C4'-P-C4' energy: -16.299 flat angles P-C4'-P energy: -10.980 tors. eta vs tors. theta energy: -15.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -204.621740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.621740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.621740 (E_RNA) where: Base-Base interactions energy: -153.041 where: short stacking energy: -63.873 Base-Backbone interact. energy: -0.099 local terms energy: -51.481189 where: bonds (distance) C4'-P energy: -10.808 bonds (distance) P-C4' energy: -15.832 flat angles C4'-P-C4' energy: -14.738 flat angles P-C4'-P energy: 1.531 tors. eta vs tors. theta energy: -11.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -179.882458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.882458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.882458 (E_RNA) where: Base-Base interactions energy: -114.511 where: short stacking energy: -57.643 Base-Backbone interact. energy: -0.024 local terms energy: -65.347041 where: bonds (distance) C4'-P energy: -15.006 bonds (distance) P-C4' energy: -12.999 flat angles C4'-P-C4' energy: -14.095 flat angles P-C4'-P energy: -9.801 tors. eta vs tors. theta energy: -13.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -185.179408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.179408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.179408 (E_RNA) where: Base-Base interactions energy: -126.589 where: short stacking energy: -53.820 Base-Backbone interact. energy: -0.069 local terms energy: -58.522197 where: bonds (distance) C4'-P energy: -13.888 bonds (distance) P-C4' energy: -11.320 flat angles C4'-P-C4' energy: -11.739 flat angles P-C4'-P energy: -7.786 tors. eta vs tors. theta energy: -13.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -165.805826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.805826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.805826 (E_RNA) where: Base-Base interactions energy: -104.158 where: short stacking energy: -44.267 Base-Backbone interact. energy: -0.104 local terms energy: -61.544358 where: bonds (distance) C4'-P energy: -14.407 bonds (distance) P-C4' energy: -15.188 flat angles C4'-P-C4' energy: -16.340 flat angles P-C4'-P energy: -7.384 tors. eta vs tors. theta energy: -8.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -89.353622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.353622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.353622 (E_RNA) where: Base-Base interactions energy: -34.616 where: short stacking energy: -26.852 Base-Backbone interact. energy: -0.244 local terms energy: -54.493052 where: bonds (distance) C4'-P energy: -13.570 bonds (distance) P-C4' energy: -15.144 flat angles C4'-P-C4' energy: -14.170 flat angles P-C4'-P energy: -5.790 tors. eta vs tors. theta energy: -5.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -149.446660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.446660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.446660 (E_RNA) where: Base-Base interactions energy: -92.344 where: short stacking energy: -33.604 Base-Backbone interact. energy: 0.064 local terms energy: -57.166362 where: bonds (distance) C4'-P energy: -14.783 bonds (distance) P-C4' energy: -14.104 flat angles C4'-P-C4' energy: -12.719 flat angles P-C4'-P energy: -9.806 tors. eta vs tors. theta energy: -5.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -80.948347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.948347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.948347 (E_RNA) where: Base-Base interactions energy: -25.043 where: short stacking energy: -26.243 Base-Backbone interact. energy: -0.197 local terms energy: -55.707904 where: bonds (distance) C4'-P energy: -16.546 bonds (distance) P-C4' energy: -10.220 flat angles C4'-P-C4' energy: -12.252 flat angles P-C4'-P energy: -9.234 tors. eta vs tors. theta energy: -7.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -218.741009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.741009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.741009 (E_RNA) where: Base-Base interactions energy: -149.125 where: short stacking energy: -66.846 Base-Backbone interact. energy: -0.136 local terms energy: -69.480744 where: bonds (distance) C4'-P energy: -16.418 bonds (distance) P-C4' energy: -14.570 flat angles C4'-P-C4' energy: -14.034 flat angles P-C4'-P energy: -5.964 tors. eta vs tors. theta energy: -18.494 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: 326 Temperature: 0.950000 Total energy: -198.600955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.600955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.600955 (E_RNA) where: Base-Base interactions energy: -126.488 where: short stacking energy: -47.769 Base-Backbone interact. energy: -0.208 local terms energy: -71.904325 where: bonds (distance) C4'-P energy: -15.131 bonds (distance) P-C4' energy: -18.261 flat angles C4'-P-C4' energy: -15.574 flat angles P-C4'-P energy: -11.748 tors. eta vs tors. theta energy: -11.190 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: 5 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -203.814218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.814218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.814218 (E_RNA) where: Base-Base interactions energy: -139.362 where: short stacking energy: -60.320 Base-Backbone interact. energy: -0.160 local terms energy: -64.291326 where: bonds (distance) C4'-P energy: -9.663 bonds (distance) P-C4' energy: -15.491 flat angles C4'-P-C4' energy: -14.103 flat angles P-C4'-P energy: -5.763 tors. eta vs tors. theta energy: -19.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -187.613448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.613448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.613448 (E_RNA) where: Base-Base interactions energy: -123.332 where: short stacking energy: -52.833 Base-Backbone interact. energy: -0.125 local terms energy: -64.156142 where: bonds (distance) C4'-P energy: -13.251 bonds (distance) P-C4' energy: -12.772 flat angles C4'-P-C4' energy: -15.028 flat angles P-C4'-P energy: -8.484 tors. eta vs tors. theta energy: -14.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -148.788927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.788927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.788927 (E_RNA) where: Base-Base interactions energy: -91.142 where: short stacking energy: -43.299 Base-Backbone interact. energy: -0.325 local terms energy: -57.322251 where: bonds (distance) C4'-P energy: -13.090 bonds (distance) P-C4' energy: -15.032 flat angles C4'-P-C4' energy: -12.820 flat angles P-C4'-P energy: -6.357 tors. eta vs tors. theta energy: -10.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -174.404634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.404634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.404634 (E_RNA) where: Base-Base interactions energy: -119.154 where: short stacking energy: -48.426 Base-Backbone interact. energy: -0.022 local terms energy: -55.228401 where: bonds (distance) C4'-P energy: -13.119 bonds (distance) P-C4' energy: -10.069 flat angles C4'-P-C4' energy: -14.833 flat angles P-C4'-P energy: -8.190 tors. eta vs tors. theta energy: -9.016 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: 4 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -160.272232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.272232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.272232 (E_RNA) where: Base-Base interactions energy: -104.266 where: short stacking energy: -40.686 Base-Backbone interact. energy: -0.150 local terms energy: -55.856421 where: bonds (distance) C4'-P energy: -11.243 bonds (distance) P-C4' energy: -12.731 flat angles C4'-P-C4' energy: -13.639 flat angles P-C4'-P energy: -10.491 tors. eta vs tors. theta energy: -7.752 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: 3 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -91.900535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.900535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.900535 (E_RNA) where: Base-Base interactions energy: -41.422 where: short stacking energy: -29.778 Base-Backbone interact. energy: 0.843 local terms energy: -51.321986 where: bonds (distance) C4'-P energy: -13.525 bonds (distance) P-C4' energy: -15.734 flat angles C4'-P-C4' energy: -13.138 flat angles P-C4'-P energy: -6.633 tors. eta vs tors. theta energy: -2.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -155.697675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.697675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.697675 (E_RNA) where: Base-Base interactions energy: -97.145 where: short stacking energy: -34.628 Base-Backbone interact. energy: -1.126 local terms energy: -57.426010 where: bonds (distance) C4'-P energy: -13.698 bonds (distance) P-C4' energy: -15.861 flat angles C4'-P-C4' energy: -14.196 flat angles P-C4'-P energy: -9.570 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: 10, replica: 1 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -76.759694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.759694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.759694 (E_RNA) where: Base-Base interactions energy: -26.603 where: short stacking energy: -24.917 Base-Backbone interact. energy: -0.108 local terms energy: -50.048639 where: bonds (distance) C4'-P energy: -10.038 bonds (distance) P-C4' energy: -13.842 flat angles C4'-P-C4' energy: -13.159 flat angles P-C4'-P energy: -11.603 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: 9 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -213.559964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.559964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.559964 (E_RNA) where: Base-Base interactions energy: -140.041 where: short stacking energy: -67.348 Base-Backbone interact. energy: -0.014 local terms energy: -73.504255 where: bonds (distance) C4'-P energy: -16.969 bonds (distance) P-C4' energy: -15.487 flat angles C4'-P-C4' energy: -11.941 flat angles P-C4'-P energy: -9.577 tors. eta vs tors. theta energy: -19.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -202.700898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.700898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.700898 (E_RNA) where: Base-Base interactions energy: -136.261 where: short stacking energy: -62.939 Base-Backbone interact. energy: -0.283 local terms energy: -66.157284 where: bonds (distance) C4'-P energy: -12.627 bonds (distance) P-C4' energy: -10.650 flat angles C4'-P-C4' energy: -13.737 flat angles P-C4'-P energy: -10.596 tors. eta vs tors. theta energy: -18.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -195.578868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.578868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.578868 (E_RNA) where: Base-Base interactions energy: -127.814 where: short stacking energy: -58.885 Base-Backbone interact. energy: 0.243 local terms energy: -68.008229 where: bonds (distance) C4'-P energy: -14.279 bonds (distance) P-C4' energy: -13.056 flat angles C4'-P-C4' energy: -16.470 flat angles P-C4'-P energy: -9.122 tors. eta vs tors. theta energy: -15.081 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: 10 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -177.175619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.175619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.175619 (E_RNA) where: Base-Base interactions energy: -111.552 where: short stacking energy: -48.627 Base-Backbone interact. energy: -0.088 local terms energy: -65.535967 where: bonds (distance) C4'-P energy: -16.518 bonds (distance) P-C4' energy: -12.713 flat angles C4'-P-C4' energy: -15.178 flat angles P-C4'-P energy: -8.341 tors. eta vs tors. theta energy: -12.787 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: 8 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -184.012648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.012648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.012648 (E_RNA) where: Base-Base interactions energy: -122.315 where: short stacking energy: -58.321 Base-Backbone interact. energy: -0.027 local terms energy: -61.671073 where: bonds (distance) C4'-P energy: -13.147 bonds (distance) P-C4' energy: -10.313 flat angles C4'-P-C4' energy: -12.306 flat angles P-C4'-P energy: -10.624 tors. eta vs tors. theta energy: -15.282 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: 327 Temperature: 1.150000 Total energy: -175.845065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.845065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.845065 (E_RNA) where: Base-Base interactions energy: -119.102 where: short stacking energy: -50.713 Base-Backbone interact. energy: -0.221 local terms energy: -56.521557 where: bonds (distance) C4'-P energy: -12.846 bonds (distance) P-C4' energy: -12.710 flat angles C4'-P-C4' energy: -13.277 flat angles P-C4'-P energy: -11.867 tors. eta vs tors. theta energy: -5.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -162.624534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.624534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.624534 (E_RNA) where: Base-Base interactions energy: -107.539 where: short stacking energy: -46.070 Base-Backbone interact. energy: -0.113 local terms energy: -54.973112 where: bonds (distance) C4'-P energy: -8.025 bonds (distance) P-C4' energy: -13.071 flat angles C4'-P-C4' energy: -14.274 flat angles P-C4'-P energy: -13.162 tors. eta vs tors. theta energy: -6.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -142.875186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.875186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.875186 (E_RNA) where: Base-Base interactions energy: -95.353 where: short stacking energy: -46.057 Base-Backbone interact. energy: -0.305 local terms energy: -47.216993 where: bonds (distance) C4'-P energy: -9.583 bonds (distance) P-C4' energy: -9.945 flat angles C4'-P-C4' energy: -13.026 flat angles P-C4'-P energy: -8.163 tors. eta vs tors. theta energy: -6.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -85.141580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.141580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.141580 (E_RNA) where: Base-Base interactions energy: -36.922 where: short stacking energy: -32.597 Base-Backbone interact. energy: -0.118 local terms energy: -48.101282 where: bonds (distance) C4'-P energy: -10.796 bonds (distance) P-C4' energy: -14.159 flat angles C4'-P-C4' energy: -10.563 flat angles P-C4'-P energy: -8.244 tors. eta vs tors. theta energy: -4.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -75.231872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.231872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.231872 (E_RNA) where: Base-Base interactions energy: -27.118 where: short stacking energy: -27.118 Base-Backbone interact. energy: -0.109 local terms energy: -48.005145 where: bonds (distance) C4'-P energy: -16.207 bonds (distance) P-C4' energy: -13.959 flat angles C4'-P-C4' energy: -13.578 flat angles P-C4'-P energy: -5.437 tors. eta vs tors. theta energy: 1.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -212.369705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.369705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.369705 (E_RNA) where: Base-Base interactions energy: -140.628 where: short stacking energy: -65.325 Base-Backbone interact. energy: -0.431 local terms energy: -71.310465 where: bonds (distance) C4'-P energy: -14.486 bonds (distance) P-C4' energy: -13.561 flat angles C4'-P-C4' energy: -13.254 flat angles P-C4'-P energy: -11.596 tors. eta vs tors. theta energy: -18.414 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: 2, replica: 9 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -209.964879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.964879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.964879 (E_RNA) where: Base-Base interactions energy: -144.719 where: short stacking energy: -65.908 Base-Backbone interact. energy: -0.002 local terms energy: -65.244025 where: bonds (distance) C4'-P energy: -13.173 bonds (distance) P-C4' energy: -8.416 flat angles C4'-P-C4' energy: -16.324 flat angles P-C4'-P energy: -9.233 tors. eta vs tors. theta energy: -18.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -192.871102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.871102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.871102 (E_RNA) where: Base-Base interactions energy: -121.940 where: short stacking energy: -64.614 Base-Backbone interact. energy: -0.820 local terms energy: -70.110582 where: bonds (distance) C4'-P energy: -15.168 bonds (distance) P-C4' energy: -15.569 flat angles C4'-P-C4' energy: -15.453 flat angles P-C4'-P energy: -5.437 tors. eta vs tors. theta energy: -18.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -183.510481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.510481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.510481 (E_RNA) where: Base-Base interactions energy: -116.008 where: short stacking energy: -48.322 Base-Backbone interact. energy: -0.187 local terms energy: -67.314830 where: bonds (distance) C4'-P energy: -15.677 bonds (distance) P-C4' energy: -16.569 flat angles C4'-P-C4' energy: -15.894 flat angles P-C4'-P energy: -5.924 tors. eta vs tors. theta energy: -13.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -182.442440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.442440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.442440 (E_RNA) where: Base-Base interactions energy: -112.458 where: short stacking energy: -59.272 Base-Backbone interact. energy: 0.030 local terms energy: -70.013956 where: bonds (distance) C4'-P energy: -13.753 bonds (distance) P-C4' energy: -17.975 flat angles C4'-P-C4' energy: -14.068 flat angles P-C4'-P energy: -10.402 tors. eta vs tors. theta energy: -13.816 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: 8 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -181.451336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.451336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.451336 (E_RNA) where: Base-Base interactions energy: -113.944 where: short stacking energy: -43.906 Base-Backbone interact. energy: 0.404 local terms energy: -67.911191 where: bonds (distance) C4'-P energy: -15.306 bonds (distance) P-C4' energy: -14.622 flat angles C4'-P-C4' energy: -15.876 flat angles P-C4'-P energy: -7.503 tors. eta vs tors. theta energy: -14.604 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: 2 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -168.017499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.017499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.017499 (E_RNA) where: Base-Base interactions energy: -111.305 where: short stacking energy: -56.436 Base-Backbone interact. energy: -0.031 local terms energy: -56.681216 where: bonds (distance) C4'-P energy: -9.422 bonds (distance) P-C4' energy: -14.337 flat angles C4'-P-C4' energy: -8.216 flat angles P-C4'-P energy: -10.304 tors. eta vs tors. theta energy: -14.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -140.341024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.341024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.341024 (E_RNA) where: Base-Base interactions energy: -93.526 where: short stacking energy: -43.951 Base-Backbone interact. energy: -0.468 local terms energy: -46.346930 where: bonds (distance) C4'-P energy: -12.245 bonds (distance) P-C4' energy: -12.194 flat angles C4'-P-C4' energy: -11.303 flat angles P-C4'-P energy: -10.457 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: 1 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -85.357309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.357309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.357309 (E_RNA) where: Base-Base interactions energy: -37.917 where: short stacking energy: -32.923 Base-Backbone interact. energy: -0.087 local terms energy: -47.352855 where: bonds (distance) C4'-P energy: -14.837 bonds (distance) P-C4' energy: -13.948 flat angles C4'-P-C4' energy: -6.956 flat angles P-C4'-P energy: -9.080 tors. eta vs tors. theta energy: -2.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -79.823026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.823026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.823026 (E_RNA) where: Base-Base interactions energy: -29.683 where: short stacking energy: -29.316 Base-Backbone interact. energy: -0.819 local terms energy: -49.321677 where: bonds (distance) C4'-P energy: -8.143 bonds (distance) P-C4' energy: -16.376 flat angles C4'-P-C4' energy: -8.839 flat angles P-C4'-P energy: -9.373 tors. eta vs tors. theta energy: -6.591 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: 5 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -214.564854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.564854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.564854 (E_RNA) where: Base-Base interactions energy: -138.507 where: short stacking energy: -68.627 Base-Backbone interact. energy: -0.413 local terms energy: -75.644720 where: bonds (distance) C4'-P energy: -13.742 bonds (distance) P-C4' energy: -16.604 flat angles C4'-P-C4' energy: -16.076 flat angles P-C4'-P energy: -10.595 tors. eta vs tors. theta energy: -18.628 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: 9 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -211.601540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.601540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.601540 (E_RNA) where: Base-Base interactions energy: -139.643 where: short stacking energy: -65.735 Base-Backbone interact. energy: -0.001 local terms energy: -71.957798 where: bonds (distance) C4'-P energy: -16.923 bonds (distance) P-C4' energy: -14.789 flat angles C4'-P-C4' energy: -10.318 flat angles P-C4'-P energy: -9.144 tors. eta vs tors. theta energy: -20.784 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: 3, replica: 10 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -201.286572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.286572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.286572 (E_RNA) where: Base-Base interactions energy: -128.824 where: short stacking energy: -67.681 Base-Backbone interact. energy: -0.015 local terms energy: -72.448039 where: bonds (distance) C4'-P energy: -14.805 bonds (distance) P-C4' energy: -15.441 flat angles C4'-P-C4' energy: -17.185 flat angles P-C4'-P energy: -7.071 tors. eta vs tors. theta energy: -17.946 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: 4 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -187.524338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.524338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.524338 (E_RNA) where: Base-Base interactions energy: -126.330 where: short stacking energy: -60.567 Base-Backbone interact. energy: -0.004 local terms energy: -61.191021 where: bonds (distance) C4'-P energy: -13.235 bonds (distance) P-C4' energy: -14.840 flat angles C4'-P-C4' energy: -12.241 flat angles P-C4'-P energy: -4.747 tors. eta vs tors. theta energy: -16.128 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: 7 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -180.214533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.214533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.214533 (E_RNA) where: Base-Base interactions energy: -115.440 where: short stacking energy: -53.422 Base-Backbone interact. energy: -0.064 local terms energy: -64.710147 where: bonds (distance) C4'-P energy: -14.261 bonds (distance) P-C4' energy: -12.760 flat angles C4'-P-C4' energy: -16.739 flat angles P-C4'-P energy: -6.780 tors. eta vs tors. theta energy: -14.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -179.926571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.926571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.926571 (E_RNA) where: Base-Base interactions energy: -115.749 where: short stacking energy: -54.875 Base-Backbone interact. energy: -0.006 local terms energy: -64.171539 where: bonds (distance) C4'-P energy: -14.120 bonds (distance) P-C4' energy: -13.088 flat angles C4'-P-C4' energy: -12.816 flat angles P-C4'-P energy: -8.524 tors. eta vs tors. theta energy: -15.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -160.012909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.012909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.012909 (E_RNA) where: Base-Base interactions energy: -114.868 where: short stacking energy: -42.466 Base-Backbone interact. energy: -0.124 local terms energy: -45.021341 where: bonds (distance) C4'-P energy: -11.197 bonds (distance) P-C4' energy: -13.973 flat angles C4'-P-C4' energy: -6.836 flat angles P-C4'-P energy: -5.683 tors. eta vs tors. theta energy: -7.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -156.072399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.072399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.072399 (E_RNA) where: Base-Base interactions energy: -97.435 where: short stacking energy: -49.732 Base-Backbone interact. energy: -0.571 local terms energy: -58.066821 where: bonds (distance) C4'-P energy: -14.310 bonds (distance) P-C4' energy: -14.836 flat angles C4'-P-C4' energy: -8.696 flat angles P-C4'-P energy: -9.111 tors. eta vs tors. theta energy: -11.114 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: 9, replica: 1 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -88.384648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.384648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.384648 (E_RNA) where: Base-Base interactions energy: -32.154 where: short stacking energy: -32.554 Base-Backbone interact. energy: -0.013 local terms energy: -56.217688 where: bonds (distance) C4'-P energy: -15.334 bonds (distance) P-C4' energy: -14.836 flat angles C4'-P-C4' energy: -13.267 flat angles P-C4'-P energy: -5.708 tors. eta vs tors. theta energy: -7.073 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: 329 Temperature: 1.350000 Total energy: -83.550061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.550061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.550061 (E_RNA) where: Base-Base interactions energy: -38.567 where: short stacking energy: -37.552 Base-Backbone interact. energy: -0.196 local terms energy: -44.786891 where: bonds (distance) C4'-P energy: -9.993 bonds (distance) P-C4' energy: -10.911 flat angles C4'-P-C4' energy: -12.591 flat angles P-C4'-P energy: -8.560 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: 1, replica: 5 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -218.542752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.542752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.542752 (E_RNA) where: Base-Base interactions energy: -146.044 where: short stacking energy: -62.409 Base-Backbone interact. energy: 0.909 local terms energy: -73.407895 where: bonds (distance) C4'-P energy: -15.292 bonds (distance) P-C4' energy: -13.976 flat angles C4'-P-C4' energy: -13.997 flat angles P-C4'-P energy: -10.912 tors. eta vs tors. theta energy: -19.232 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: 9 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -209.499698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.499698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.499698 (E_RNA) where: Base-Base interactions energy: -142.523 where: short stacking energy: -65.014 Base-Backbone interact. energy: 0.289 local terms energy: -67.266001 where: bonds (distance) C4'-P energy: -15.867 bonds (distance) P-C4' energy: -13.903 flat angles C4'-P-C4' energy: -14.247 flat angles P-C4'-P energy: -4.696 tors. eta vs tors. theta energy: -18.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -192.503966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.503966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.503966 (E_RNA) where: Base-Base interactions energy: -127.020 where: short stacking energy: -64.936 Base-Backbone interact. energy: 0.138 local terms energy: -65.621377 where: bonds (distance) C4'-P energy: -12.729 bonds (distance) P-C4' energy: -10.385 flat angles C4'-P-C4' energy: -16.276 flat angles P-C4'-P energy: -8.037 tors. eta vs tors. theta energy: -18.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -192.099506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.099506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.099506 (E_RNA) where: Base-Base interactions energy: -118.535 where: short stacking energy: -49.874 Base-Backbone interact. energy: -0.141 local terms energy: -73.423330 where: bonds (distance) C4'-P energy: -13.687 bonds (distance) P-C4' energy: -16.798 flat angles C4'-P-C4' energy: -16.878 flat angles P-C4'-P energy: -12.117 tors. eta vs tors. theta energy: -13.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -181.139706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.139706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.139706 (E_RNA) where: Base-Base interactions energy: -120.270 where: short stacking energy: -58.999 Base-Backbone interact. energy: 0.180 local terms energy: -61.049754 where: bonds (distance) C4'-P energy: -7.310 bonds (distance) P-C4' energy: -15.255 flat angles C4'-P-C4' energy: -15.722 flat angles P-C4'-P energy: -8.094 tors. eta vs tors. theta energy: -14.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -163.037719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.037719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.037719 (E_RNA) where: Base-Base interactions energy: -103.661 where: short stacking energy: -46.691 Base-Backbone interact. energy: -0.560 local terms energy: -58.816946 where: bonds (distance) C4'-P energy: -12.128 bonds (distance) P-C4' energy: -13.673 flat angles C4'-P-C4' energy: -16.019 flat angles P-C4'-P energy: -8.034 tors. eta vs tors. theta energy: -8.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -171.320034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.320034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.320034 (E_RNA) where: Base-Base interactions energy: -107.359 where: short stacking energy: -50.548 Base-Backbone interact. energy: -0.101 local terms energy: -63.860326 where: bonds (distance) C4'-P energy: -13.806 bonds (distance) P-C4' energy: -14.695 flat angles C4'-P-C4' energy: -13.887 flat angles P-C4'-P energy: -8.020 tors. eta vs tors. theta energy: -13.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -162.505461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.505461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.505461 (E_RNA) where: Base-Base interactions energy: -112.568 where: short stacking energy: -46.431 Base-Backbone interact. energy: -0.359 local terms energy: -49.578240 where: bonds (distance) C4'-P energy: -11.292 bonds (distance) P-C4' energy: -12.133 flat angles C4'-P-C4' energy: -15.849 flat angles P-C4'-P energy: -2.805 tors. eta vs tors. theta energy: -7.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -87.273395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.273395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.273395 (E_RNA) where: Base-Base interactions energy: -41.117 where: short stacking energy: -18.379 Base-Backbone interact. energy: -1.274 local terms energy: -44.882335 where: bonds (distance) C4'-P energy: -10.861 bonds (distance) P-C4' energy: -11.066 flat angles C4'-P-C4' energy: -16.914 flat angles P-C4'-P energy: -8.634 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: 10, replica: 1 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -73.459949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.459949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.459949 (E_RNA) where: Base-Base interactions energy: -23.603 where: short stacking energy: -23.582 Base-Backbone interact. energy: -0.700 local terms energy: -49.156048 where: bonds (distance) C4'-P energy: -9.929 bonds (distance) P-C4' energy: -14.124 flat angles C4'-P-C4' energy: -13.942 flat angles P-C4'-P energy: -8.666 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: 1, replica: 5 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -203.594387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.594387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.594387 (E_RNA) where: Base-Base interactions energy: -140.813 where: short stacking energy: -62.306 Base-Backbone interact. energy: -0.016 local terms energy: -62.765541 where: bonds (distance) C4'-P energy: -13.851 bonds (distance) P-C4' energy: -12.223 flat angles C4'-P-C4' energy: -14.856 flat angles P-C4'-P energy: -5.455 tors. eta vs tors. theta energy: -16.380 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: 331 Temperature: 0.950000 Total energy: -216.512203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.512203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.512203 (E_RNA) where: Base-Base interactions energy: -143.515 where: short stacking energy: -63.477 Base-Backbone interact. energy: -0.084 local terms energy: -72.914009 where: bonds (distance) C4'-P energy: -16.170 bonds (distance) P-C4' energy: -15.601 flat angles C4'-P-C4' energy: -12.036 flat angles P-C4'-P energy: -7.218 tors. eta vs tors. theta energy: -21.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -196.897096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.897096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.897096 (E_RNA) where: Base-Base interactions energy: -128.999 where: short stacking energy: -69.299 Base-Backbone interact. energy: -0.002 local terms energy: -67.896839 where: bonds (distance) C4'-P energy: -13.726 bonds (distance) P-C4' energy: -15.818 flat angles C4'-P-C4' energy: -12.606 flat angles P-C4'-P energy: -7.280 tors. eta vs tors. theta energy: -18.467 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: 7 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -179.942835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.942835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.942835 (E_RNA) where: Base-Base interactions energy: -121.917 where: short stacking energy: -45.487 Base-Backbone interact. energy: 0.302 local terms energy: -58.327661 where: bonds (distance) C4'-P energy: -15.326 bonds (distance) P-C4' energy: -12.575 flat angles C4'-P-C4' energy: -12.951 flat angles P-C4'-P energy: -6.123 tors. eta vs tors. theta energy: -11.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -182.444073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.444073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.444073 (E_RNA) where: Base-Base interactions energy: -119.296 where: short stacking energy: -53.161 Base-Backbone interact. energy: -0.243 local terms energy: -62.904499 where: bonds (distance) C4'-P energy: -9.976 bonds (distance) P-C4' energy: -14.069 flat angles C4'-P-C4' energy: -15.230 flat angles P-C4'-P energy: -7.979 tors. eta vs tors. theta energy: -15.651 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: 6 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -165.923774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.923774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.923774 (E_RNA) where: Base-Base interactions energy: -111.450 where: short stacking energy: -51.340 Base-Backbone interact. energy: -0.210 local terms energy: -54.263815 where: bonds (distance) C4'-P energy: -7.555 bonds (distance) P-C4' energy: -16.404 flat angles C4'-P-C4' energy: -13.546 flat angles P-C4'-P energy: -6.608 tors. eta vs tors. theta energy: -10.152 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: 2 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -174.221935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.221935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.221935 (E_RNA) where: Base-Base interactions energy: -124.024 where: short stacking energy: -51.066 Base-Backbone interact. energy: -0.169 local terms energy: -50.028712 where: bonds (distance) C4'-P energy: -6.607 bonds (distance) P-C4' energy: -13.986 flat angles C4'-P-C4' energy: -11.884 flat angles P-C4'-P energy: -9.736 tors. eta vs tors. theta energy: -7.816 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: 331 Temperature: 1.250000 Total energy: -158.441188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.441188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.441188 (E_RNA) where: Base-Base interactions energy: -93.249 where: short stacking energy: -42.664 Base-Backbone interact. energy: -0.090 local terms energy: -65.102532 where: bonds (distance) C4'-P energy: -14.978 bonds (distance) P-C4' energy: -15.044 flat angles C4'-P-C4' energy: -13.963 flat angles P-C4'-P energy: -6.946 tors. eta vs tors. theta energy: -14.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -79.870348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.870348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.870348 (E_RNA) where: Base-Base interactions energy: -32.545 where: short stacking energy: -32.545 Base-Backbone interact. energy: -0.105 local terms energy: -47.219977 where: bonds (distance) C4'-P energy: -11.902 bonds (distance) P-C4' energy: -12.622 flat angles C4'-P-C4' energy: -12.584 flat angles P-C4'-P energy: -5.477 tors. eta vs tors. theta energy: -4.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -92.267984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.267984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.267984 (E_RNA) where: Base-Base interactions energy: -45.208 where: short stacking energy: -18.968 Base-Backbone interact. energy: -0.038 local terms energy: -47.021984 where: bonds (distance) C4'-P energy: -11.809 bonds (distance) P-C4' energy: -16.715 flat angles C4'-P-C4' energy: -10.710 flat angles P-C4'-P energy: -11.624 tors. eta vs tors. theta energy: 3.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -211.585841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.585841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.585841 (E_RNA) where: Base-Base interactions energy: -137.877 where: short stacking energy: -68.339 Base-Backbone interact. energy: -0.355 local terms energy: -73.353153 where: bonds (distance) C4'-P energy: -16.045 bonds (distance) P-C4' energy: -14.061 flat angles C4'-P-C4' energy: -14.537 flat angles P-C4'-P energy: -9.291 tors. eta vs tors. theta energy: -19.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -213.227346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.227346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.227346 (E_RNA) where: Base-Base interactions energy: -140.527 where: short stacking energy: -71.458 Base-Backbone interact. energy: -0.006 local terms energy: -72.694187 where: bonds (distance) C4'-P energy: -16.417 bonds (distance) P-C4' energy: -11.676 flat angles C4'-P-C4' energy: -14.662 flat angles P-C4'-P energy: -9.197 tors. eta vs tors. theta energy: -20.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -199.437546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.437546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.437546 (E_RNA) where: Base-Base interactions energy: -129.055 where: short stacking energy: -59.667 Base-Backbone interact. energy: -0.034 local terms energy: -70.349116 where: bonds (distance) C4'-P energy: -13.819 bonds (distance) P-C4' energy: -13.727 flat angles C4'-P-C4' energy: -13.594 flat angles P-C4'-P energy: -10.977 tors. eta vs tors. theta energy: -18.232 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: 7 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -187.683808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.683808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.683808 (E_RNA) where: Base-Base interactions energy: -124.836 where: short stacking energy: -57.882 Base-Backbone interact. energy: -0.025 local terms energy: -62.823395 where: bonds (distance) C4'-P energy: -11.450 bonds (distance) P-C4' energy: -11.991 flat angles C4'-P-C4' energy: -13.721 flat angles P-C4'-P energy: -10.353 tors. eta vs tors. theta energy: -15.309 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: 6 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -203.072163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.072163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.072163 (E_RNA) where: Base-Base interactions energy: -145.448 where: short stacking energy: -59.924 Base-Backbone interact. energy: -0.001 local terms energy: -57.623128 where: bonds (distance) C4'-P energy: -11.542 bonds (distance) P-C4' energy: -12.496 flat angles C4'-P-C4' energy: -12.320 flat angles P-C4'-P energy: -5.138 tors. eta vs tors. theta energy: -16.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -176.009358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.009358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.009358 (E_RNA) where: Base-Base interactions energy: -119.236 where: short stacking energy: -54.168 Base-Backbone interact. energy: -0.459 local terms energy: -56.314465 where: bonds (distance) C4'-P energy: -9.786 bonds (distance) P-C4' energy: -14.916 flat angles C4'-P-C4' energy: -14.291 flat angles P-C4'-P energy: -6.364 tors. eta vs tors. theta energy: -10.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -137.669577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.669577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.669577 (E_RNA) where: Base-Base interactions energy: -86.199 where: short stacking energy: -45.471 Base-Backbone interact. energy: -0.429 local terms energy: -51.042038 where: bonds (distance) C4'-P energy: -15.950 bonds (distance) P-C4' energy: -13.001 flat angles C4'-P-C4' energy: -11.812 flat angles P-C4'-P energy: -5.515 tors. eta vs tors. theta energy: -4.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -156.078959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.078959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.078959 (E_RNA) where: Base-Base interactions energy: -95.753 where: short stacking energy: -43.685 Base-Backbone interact. energy: -0.112 local terms energy: -60.213455 where: bonds (distance) C4'-P energy: -10.754 bonds (distance) P-C4' energy: -15.459 flat angles C4'-P-C4' energy: -14.316 flat angles P-C4'-P energy: -11.386 tors. eta vs tors. theta energy: -8.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -87.502895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.502895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.502895 (E_RNA) where: Base-Base interactions energy: -36.824 where: short stacking energy: -36.824 Base-Backbone interact. energy: 0.574 local terms energy: -51.252963 where: bonds (distance) C4'-P energy: -12.324 bonds (distance) P-C4' energy: -12.493 flat angles C4'-P-C4' energy: -10.598 flat angles P-C4'-P energy: -10.810 tors. eta vs tors. theta energy: -5.029 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: 3 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -85.087952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.087952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.087952 (E_RNA) where: Base-Base interactions energy: -37.373 where: short stacking energy: -24.454 Base-Backbone interact. energy: -0.551 local terms energy: -47.163312 where: bonds (distance) C4'-P energy: -13.247 bonds (distance) P-C4' energy: -13.644 flat angles C4'-P-C4' energy: -14.801 flat angles P-C4'-P energy: -5.340 tors. eta vs tors. theta energy: -0.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -213.299829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.299829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.299829 (E_RNA) where: Base-Base interactions energy: -141.435 where: short stacking energy: -63.105 Base-Backbone interact. energy: -0.043 local terms energy: -71.822470 where: bonds (distance) C4'-P energy: -14.642 bonds (distance) P-C4' energy: -12.225 flat angles C4'-P-C4' energy: -16.858 flat angles P-C4'-P energy: -10.285 tors. eta vs tors. theta energy: -17.813 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: 5 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -196.605603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.605603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.605603 (E_RNA) where: Base-Base interactions energy: -129.092 where: short stacking energy: -64.520 Base-Backbone interact. energy: -0.100 local terms energy: -67.413543 where: bonds (distance) C4'-P energy: -12.973 bonds (distance) P-C4' energy: -13.529 flat angles C4'-P-C4' energy: -12.933 flat angles P-C4'-P energy: -7.747 tors. eta vs tors. theta energy: -20.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -189.222897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.222897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.222897 (E_RNA) where: Base-Base interactions energy: -122.144 where: short stacking energy: -62.367 Base-Backbone interact. energy: -0.005 local terms energy: -67.073991 where: bonds (distance) C4'-P energy: -16.729 bonds (distance) P-C4' energy: -12.549 flat angles C4'-P-C4' energy: -13.769 flat angles P-C4'-P energy: -10.023 tors. eta vs tors. theta energy: -14.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -188.813722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.813722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.813722 (E_RNA) where: Base-Base interactions energy: -131.783 where: short stacking energy: -58.571 Base-Backbone interact. energy: -0.001 local terms energy: -57.029555 where: bonds (distance) C4'-P energy: -13.865 bonds (distance) P-C4' energy: -10.046 flat angles C4'-P-C4' energy: -11.198 flat angles P-C4'-P energy: -7.716 tors. eta vs tors. theta energy: -14.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -175.221127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.221127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.221127 (E_RNA) where: Base-Base interactions energy: -111.757 where: short stacking energy: -50.439 Base-Backbone interact. energy: -0.406 local terms energy: -63.057401 where: bonds (distance) C4'-P energy: -15.606 bonds (distance) P-C4' energy: -13.992 flat angles C4'-P-C4' energy: -11.333 flat angles P-C4'-P energy: -10.542 tors. eta vs tors. theta energy: -11.584 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: 6, replica: 4 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -182.811076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.811076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.811076 (E_RNA) where: Base-Base interactions energy: -124.945 where: short stacking energy: -50.216 Base-Backbone interact. energy: -0.611 local terms energy: -57.255030 where: bonds (distance) C4'-P energy: -8.328 bonds (distance) P-C4' energy: -16.259 flat angles C4'-P-C4' energy: -12.848 flat angles P-C4'-P energy: -4.727 tors. eta vs tors. theta energy: -15.092 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: 8 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -133.695733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.695733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.695733 (E_RNA) where: Base-Base interactions energy: -82.671 where: short stacking energy: -27.064 Base-Backbone interact. energy: -0.941 local terms energy: -50.083964 where: bonds (distance) C4'-P energy: -14.121 bonds (distance) P-C4' energy: -13.928 flat angles C4'-P-C4' energy: -9.555 flat angles P-C4'-P energy: -10.163 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: 8, replica: 2 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -164.552890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.552890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.552890 (E_RNA) where: Base-Base interactions energy: -109.733 where: short stacking energy: -44.343 Base-Backbone interact. energy: -0.032 local terms energy: -54.788706 where: bonds (distance) C4'-P energy: -12.874 bonds (distance) P-C4' energy: -14.342 flat angles C4'-P-C4' energy: -13.610 flat angles P-C4'-P energy: -7.590 tors. eta vs tors. theta energy: -6.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -84.587536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.587536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.587536 (E_RNA) where: Base-Base interactions energy: -31.562 where: short stacking energy: -29.364 Base-Backbone interact. energy: -0.015 local terms energy: -53.010665 where: bonds (distance) C4'-P energy: -14.013 bonds (distance) P-C4' energy: -17.073 flat angles C4'-P-C4' energy: -13.192 flat angles P-C4'-P energy: -8.577 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: 10, replica: 3 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -74.392276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.392276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.392276 (E_RNA) where: Base-Base interactions energy: -31.588 where: short stacking energy: -30.013 Base-Backbone interact. energy: -0.141 local terms energy: -42.662466 where: bonds (distance) C4'-P energy: -10.834 bonds (distance) P-C4' energy: -16.041 flat angles C4'-P-C4' energy: -8.882 flat angles P-C4'-P energy: -3.236 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: 1, replica: 9 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -204.175217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.175217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.175217 (E_RNA) where: Base-Base interactions energy: -132.534 where: short stacking energy: -62.913 Base-Backbone interact. energy: -0.003 local terms energy: -71.638710 where: bonds (distance) C4'-P energy: -13.955 bonds (distance) P-C4' energy: -14.536 flat angles C4'-P-C4' energy: -13.106 flat angles P-C4'-P energy: -10.729 tors. eta vs tors. theta energy: -19.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -195.302122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.302122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.302122 (E_RNA) where: Base-Base interactions energy: -122.798 where: short stacking energy: -59.924 Base-Backbone interact. energy: -0.006 local terms energy: -72.498033 where: bonds (distance) C4'-P energy: -16.783 bonds (distance) P-C4' energy: -13.987 flat angles C4'-P-C4' energy: -15.164 flat angles P-C4'-P energy: -10.542 tors. eta vs tors. theta energy: -16.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -213.400306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.400306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.400306 (E_RNA) where: Base-Base interactions energy: -148.389 where: short stacking energy: -63.615 Base-Backbone interact. energy: -0.856 local terms energy: -64.155616 where: bonds (distance) C4'-P energy: -11.989 bonds (distance) P-C4' energy: -13.497 flat angles C4'-P-C4' energy: -16.372 flat angles P-C4'-P energy: -4.896 tors. eta vs tors. theta energy: -17.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -192.548720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.548720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.548720 (E_RNA) where: Base-Base interactions energy: -120.404 where: short stacking energy: -60.738 Base-Backbone interact. energy: -0.002 local terms energy: -72.143129 where: bonds (distance) C4'-P energy: -13.814 bonds (distance) P-C4' energy: -13.318 flat angles C4'-P-C4' energy: -16.330 flat angles P-C4'-P energy: -9.563 tors. eta vs tors. theta energy: -19.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -178.900410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.900410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.900410 (E_RNA) where: Base-Base interactions energy: -110.778 where: short stacking energy: -56.325 Base-Backbone interact. energy: -0.029 local terms energy: -68.093429 where: bonds (distance) C4'-P energy: -12.833 bonds (distance) P-C4' energy: -13.224 flat angles C4'-P-C4' energy: -16.586 flat angles P-C4'-P energy: -9.899 tors. eta vs tors. theta energy: -15.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -172.625499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.625499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.625499 (E_RNA) where: Base-Base interactions energy: -120.796 where: short stacking energy: -48.771 Base-Backbone interact. energy: -0.408 local terms energy: -51.420785 where: bonds (distance) C4'-P energy: -7.282 bonds (distance) P-C4' energy: -14.867 flat angles C4'-P-C4' energy: -13.176 flat angles P-C4'-P energy: -3.788 tors. eta vs tors. theta energy: -12.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -176.220257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.220257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.220257 (E_RNA) where: Base-Base interactions energy: -121.455 where: short stacking energy: -53.626 Base-Backbone interact. energy: -0.567 local terms energy: -54.197614 where: bonds (distance) C4'-P energy: -9.259 bonds (distance) P-C4' energy: -13.214 flat angles C4'-P-C4' energy: -12.199 flat angles P-C4'-P energy: -4.156 tors. eta vs tors. theta energy: -15.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -97.498819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.498819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.498819 (E_RNA) where: Base-Base interactions energy: -52.179 where: short stacking energy: -33.875 Base-Backbone interact. energy: -0.224 local terms energy: -45.095884 where: bonds (distance) C4'-P energy: -14.817 bonds (distance) P-C4' energy: -7.168 flat angles C4'-P-C4' energy: -11.357 flat angles P-C4'-P energy: -6.446 tors. eta vs tors. theta energy: -5.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -92.307251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.307251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.307251 (E_RNA) where: Base-Base interactions energy: -36.970 where: short stacking energy: -34.148 Base-Backbone interact. energy: -0.007 local terms energy: -55.330453 where: bonds (distance) C4'-P energy: -12.030 bonds (distance) P-C4' energy: -12.431 flat angles C4'-P-C4' energy: -12.779 flat angles P-C4'-P energy: -7.172 tors. eta vs tors. theta energy: -10.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -90.502494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.502494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.502494 (E_RNA) where: Base-Base interactions energy: -50.488 where: short stacking energy: -22.722 Base-Backbone interact. energy: -0.262 local terms energy: -39.752082 where: bonds (distance) C4'-P energy: -10.929 bonds (distance) P-C4' energy: -7.609 flat angles C4'-P-C4' energy: -14.495 flat angles P-C4'-P energy: -9.059 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: 1, replica: 9 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -209.014642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.014642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.014642 (E_RNA) where: Base-Base interactions energy: -143.834 where: short stacking energy: -63.935 Base-Backbone interact. energy: 1.052 local terms energy: -66.231934 where: bonds (distance) C4'-P energy: -12.555 bonds (distance) P-C4' energy: -16.407 flat angles C4'-P-C4' energy: -14.169 flat angles P-C4'-P energy: -5.800 tors. eta vs tors. theta energy: -17.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -189.008821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.008821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.008821 (E_RNA) where: Base-Base interactions energy: -126.061 where: short stacking energy: -46.311 Base-Backbone interact. energy: -0.775 local terms energy: -62.172214 where: bonds (distance) C4'-P energy: -13.835 bonds (distance) P-C4' energy: -12.933 flat angles C4'-P-C4' energy: -13.230 flat angles P-C4'-P energy: -10.919 tors. eta vs tors. theta energy: -11.255 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: 5 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -200.057132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.057132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.057132 (E_RNA) where: Base-Base interactions energy: -130.768 where: short stacking energy: -59.229 Base-Backbone interact. energy: -0.006 local terms energy: -69.282409 where: bonds (distance) C4'-P energy: -14.634 bonds (distance) P-C4' energy: -12.802 flat angles C4'-P-C4' energy: -15.729 flat angles P-C4'-P energy: -9.932 tors. eta vs tors. theta energy: -16.185 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: 335 Temperature: 1.050000 Total energy: -185.305029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.305029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.305029 (E_RNA) where: Base-Base interactions energy: -122.326 where: short stacking energy: -60.794 Base-Backbone interact. energy: -0.014 local terms energy: -62.965043 where: bonds (distance) C4'-P energy: -13.774 bonds (distance) P-C4' energy: -12.396 flat angles C4'-P-C4' energy: -13.841 flat angles P-C4'-P energy: -8.694 tors. eta vs tors. theta energy: -14.260 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: 10 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -185.742258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.742258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.742258 (E_RNA) where: Base-Base interactions energy: -122.282 where: short stacking energy: -62.933 Base-Backbone interact. energy: -2.232 local terms energy: -61.228098 where: bonds (distance) C4'-P energy: -9.996 bonds (distance) P-C4' energy: -12.838 flat angles C4'-P-C4' energy: -15.486 flat angles P-C4'-P energy: -4.784 tors. eta vs tors. theta energy: -18.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -171.085065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.085065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.085065 (E_RNA) where: Base-Base interactions energy: -120.832 where: short stacking energy: -51.511 Base-Backbone interact. energy: 0.466 local terms energy: -50.718201 where: bonds (distance) C4'-P energy: -14.733 bonds (distance) P-C4' energy: -6.070 flat angles C4'-P-C4' energy: -14.144 flat angles P-C4'-P energy: -6.034 tors. eta vs tors. theta energy: -9.737 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: 7 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -153.705991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.705991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.705991 (E_RNA) where: Base-Base interactions energy: -98.536 where: short stacking energy: -36.428 Base-Backbone interact. energy: -0.348 local terms energy: -54.821295 where: bonds (distance) C4'-P energy: -13.268 bonds (distance) P-C4' energy: -12.807 flat angles C4'-P-C4' energy: -14.358 flat angles P-C4'-P energy: -9.686 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: 8, replica: 3 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -99.307741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.307741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.307741 (E_RNA) where: Base-Base interactions energy: -42.999 where: short stacking energy: -37.565 Base-Backbone interact. energy: -0.049 local terms energy: -56.259927 where: bonds (distance) C4'-P energy: -12.283 bonds (distance) P-C4' energy: -7.136 flat angles C4'-P-C4' energy: -16.537 flat angles P-C4'-P energy: -9.313 tors. eta vs tors. theta energy: -10.991 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: 335 Temperature: 1.300000 Total energy: -91.497707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.497707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.497707 (E_RNA) where: Base-Base interactions energy: -33.969 where: short stacking energy: -33.805 Base-Backbone interact. energy: -0.007 local terms energy: -57.521312 where: bonds (distance) C4'-P energy: -14.182 bonds (distance) P-C4' energy: -14.516 flat angles C4'-P-C4' energy: -7.983 flat angles P-C4'-P energy: -10.075 tors. eta vs tors. theta energy: -10.765 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: 10, replica: 1 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -94.798865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.798865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.798865 (E_RNA) where: Base-Base interactions energy: -57.895 where: short stacking energy: -26.848 Base-Backbone interact. energy: -0.257 local terms energy: -36.646070 where: bonds (distance) C4'-P energy: -7.910 bonds (distance) P-C4' energy: -9.574 flat angles C4'-P-C4' energy: -9.550 flat angles P-C4'-P energy: -8.916 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: 1, replica: 9 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -202.926034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.926034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.926034 (E_RNA) where: Base-Base interactions energy: -134.831 where: short stacking energy: -58.230 Base-Backbone interact. energy: -0.398 local terms energy: -67.696433 where: bonds (distance) C4'-P energy: -12.052 bonds (distance) P-C4' energy: -15.980 flat angles C4'-P-C4' energy: -15.385 flat angles P-C4'-P energy: -8.878 tors. eta vs tors. theta energy: -15.401 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: 6 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -200.807228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.807228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.807228 (E_RNA) where: Base-Base interactions energy: -127.950 where: short stacking energy: -59.146 Base-Backbone interact. energy: -0.177 local terms energy: -72.680114 where: bonds (distance) C4'-P energy: -13.879 bonds (distance) P-C4' energy: -14.470 flat angles C4'-P-C4' energy: -16.213 flat angles P-C4'-P energy: -8.536 tors. eta vs tors. theta energy: -19.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -187.676312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.676312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.676312 (E_RNA) where: Base-Base interactions energy: -115.551 where: short stacking energy: -56.933 Base-Backbone interact. energy: -0.005 local terms energy: -72.120019 where: bonds (distance) C4'-P energy: -14.507 bonds (distance) P-C4' energy: -14.865 flat angles C4'-P-C4' energy: -16.085 flat angles P-C4'-P energy: -12.588 tors. eta vs tors. theta energy: -14.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -188.563297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.563297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.563297 (E_RNA) where: Base-Base interactions energy: -120.749 where: short stacking energy: -48.144 Base-Backbone interact. energy: -0.003 local terms energy: -67.810984 where: bonds (distance) C4'-P energy: -15.566 bonds (distance) P-C4' energy: -16.823 flat angles C4'-P-C4' energy: -11.550 flat angles P-C4'-P energy: -8.481 tors. eta vs tors. theta energy: -15.392 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: 10 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -199.828420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.828420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.828420 (E_RNA) where: Base-Base interactions energy: -134.266 where: short stacking energy: -66.362 Base-Backbone interact. energy: -0.030 local terms energy: -65.531843 where: bonds (distance) C4'-P energy: -13.322 bonds (distance) P-C4' energy: -12.463 flat angles C4'-P-C4' energy: -15.779 flat angles P-C4'-P energy: -6.297 tors. eta vs tors. theta energy: -17.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -175.319779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.319779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.319779 (E_RNA) where: Base-Base interactions energy: -114.344 where: short stacking energy: -51.888 Base-Backbone interact. energy: 0.143 local terms energy: -61.118858 where: bonds (distance) C4'-P energy: -11.473 bonds (distance) P-C4' energy: -13.463 flat angles C4'-P-C4' energy: -13.481 flat angles P-C4'-P energy: -9.477 tors. eta vs tors. theta energy: -13.226 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: 7 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -174.345882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.345882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.345882 (E_RNA) where: Base-Base interactions energy: -111.784 where: short stacking energy: -59.466 Base-Backbone interact. energy: -0.062 local terms energy: -62.499675 where: bonds (distance) C4'-P energy: -10.949 bonds (distance) P-C4' energy: -12.643 flat angles C4'-P-C4' energy: -15.093 flat angles P-C4'-P energy: -7.215 tors. eta vs tors. theta energy: -16.600 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: 3 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -86.834224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.834224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.834224 (E_RNA) where: Base-Base interactions energy: -31.098 where: short stacking energy: -30.348 Base-Backbone interact. energy: -0.118 local terms energy: -55.618191 where: bonds (distance) C4'-P energy: -11.337 bonds (distance) P-C4' energy: -15.296 flat angles C4'-P-C4' energy: -14.718 flat angles P-C4'-P energy: -7.065 tors. eta vs tors. theta energy: -7.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -87.913397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.913397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.913397 (E_RNA) where: Base-Base interactions energy: -42.263 where: short stacking energy: -27.127 Base-Backbone interact. energy: -0.090 local terms energy: -45.559875 where: bonds (distance) C4'-P energy: -13.069 bonds (distance) P-C4' energy: -15.516 flat angles C4'-P-C4' energy: -8.422 flat angles P-C4'-P energy: -10.416 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: 10, replica: 8 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -117.496436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.496436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.496436 (E_RNA) where: Base-Base interactions energy: -75.113 where: short stacking energy: -30.208 Base-Backbone interact. energy: -0.095 local terms energy: -42.288695 where: bonds (distance) C4'-P energy: -13.702 bonds (distance) P-C4' energy: -11.882 flat angles C4'-P-C4' energy: -6.750 flat angles P-C4'-P energy: -8.373 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: 337 Temperature: 0.900000 Total energy: -205.430543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.430543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.430543 (E_RNA) where: Base-Base interactions energy: -134.040 where: short stacking energy: -57.354 Base-Backbone interact. energy: -0.245 local terms energy: -71.145228 where: bonds (distance) C4'-P energy: -12.535 bonds (distance) P-C4' energy: -15.953 flat angles C4'-P-C4' energy: -15.934 flat angles P-C4'-P energy: -8.958 tors. eta vs tors. theta energy: -17.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -199.114024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.114024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.114024 (E_RNA) where: Base-Base interactions energy: -133.662 where: short stacking energy: -49.573 Base-Backbone interact. energy: -0.858 local terms energy: -64.594471 where: bonds (distance) C4'-P energy: -10.457 bonds (distance) P-C4' energy: -16.650 flat angles C4'-P-C4' energy: -12.022 flat angles P-C4'-P energy: -11.043 tors. eta vs tors. theta energy: -14.423 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: 3, replica: 4 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -188.923153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.923153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.923153 (E_RNA) where: Base-Base interactions energy: -120.475 where: short stacking energy: -58.875 Base-Backbone interact. energy: -0.004 local terms energy: -68.443817 where: bonds (distance) C4'-P energy: -16.311 bonds (distance) P-C4' energy: -16.843 flat angles C4'-P-C4' energy: -16.207 flat angles P-C4'-P energy: -6.692 tors. eta vs tors. theta energy: -12.390 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: 10 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -206.060061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.060061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.060061 (E_RNA) where: Base-Base interactions energy: -146.912 where: short stacking energy: -70.302 Base-Backbone interact. energy: -0.005 local terms energy: -59.142179 where: bonds (distance) C4'-P energy: -11.305 bonds (distance) P-C4' energy: -10.045 flat angles C4'-P-C4' energy: -14.129 flat angles P-C4'-P energy: -6.087 tors. eta vs tors. theta energy: -17.575 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: 5 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -185.808938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.808938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.808938 (E_RNA) where: Base-Base interactions energy: -130.322 where: short stacking energy: -48.498 Base-Backbone interact. energy: -0.242 local terms energy: -55.245059 where: bonds (distance) C4'-P energy: -11.155 bonds (distance) P-C4' energy: -12.142 flat angles C4'-P-C4' energy: -13.879 flat angles P-C4'-P energy: -7.928 tors. eta vs tors. theta energy: -10.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -179.783917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.783917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.783917 (E_RNA) where: Base-Base interactions energy: -126.450 where: short stacking energy: -54.184 Base-Backbone interact. energy: -0.334 local terms energy: -53.000309 where: bonds (distance) C4'-P energy: -13.532 bonds (distance) P-C4' energy: -9.611 flat angles C4'-P-C4' energy: -12.975 flat angles P-C4'-P energy: -9.129 tors. eta vs tors. theta energy: -7.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -168.525052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.525052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.525052 (E_RNA) where: Base-Base interactions energy: -113.992 where: short stacking energy: -46.412 Base-Backbone interact. energy: -0.136 local terms energy: -54.397041 where: bonds (distance) C4'-P energy: -12.403 bonds (distance) P-C4' energy: -10.559 flat angles C4'-P-C4' energy: -14.126 flat angles P-C4'-P energy: -3.876 tors. eta vs tors. theta energy: -13.433 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: 1 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -105.276451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.276451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.276451 (E_RNA) where: Base-Base interactions energy: -64.098 where: short stacking energy: -32.448 Base-Backbone interact. energy: 0.700 local terms energy: -41.878842 where: bonds (distance) C4'-P energy: -13.864 bonds (distance) P-C4' energy: -14.127 flat angles C4'-P-C4' energy: -11.954 flat angles P-C4'-P energy: 1.491 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: 9, replica: 3 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -87.727162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.727162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.727162 (E_RNA) where: Base-Base interactions energy: -31.209 where: short stacking energy: -31.209 Base-Backbone interact. energy: -0.411 local terms energy: -56.107755 where: bonds (distance) C4'-P energy: -13.566 bonds (distance) P-C4' energy: -15.237 flat angles C4'-P-C4' energy: -11.050 flat angles P-C4'-P energy: -6.796 tors. eta vs tors. theta energy: -9.458 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: 8 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -133.850760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.850760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.850760 (E_RNA) where: Base-Base interactions energy: -79.201 where: short stacking energy: -34.298 Base-Backbone interact. energy: -0.233 local terms energy: -54.416105 where: bonds (distance) C4'-P energy: -13.321 bonds (distance) P-C4' energy: -16.004 flat angles C4'-P-C4' energy: -10.627 flat angles P-C4'-P energy: -11.497 tors. eta vs tors. theta energy: -2.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -219.162049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.162049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.162049 (E_RNA) where: Base-Base interactions energy: -149.245 where: short stacking energy: -69.234 Base-Backbone interact. energy: -0.011 local terms energy: -69.905294 where: bonds (distance) C4'-P energy: -13.731 bonds (distance) P-C4' energy: -16.590 flat angles C4'-P-C4' energy: -15.397 flat angles P-C4'-P energy: -4.411 tors. eta vs tors. theta energy: -19.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -205.861528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.861528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.861528 (E_RNA) where: Base-Base interactions energy: -129.410 where: short stacking energy: -65.286 Base-Backbone interact. energy: -0.001 local terms energy: -76.451178 where: bonds (distance) C4'-P energy: -10.993 bonds (distance) P-C4' energy: -17.516 flat angles C4'-P-C4' energy: -15.509 flat angles P-C4'-P energy: -13.107 tors. eta vs tors. theta energy: -19.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -208.510981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.510981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.510981 (E_RNA) where: Base-Base interactions energy: -145.369 where: short stacking energy: -66.173 Base-Backbone interact. energy: -0.001 local terms energy: -63.141688 where: bonds (distance) C4'-P energy: -12.157 bonds (distance) P-C4' energy: -13.987 flat angles C4'-P-C4' energy: -12.493 flat angles P-C4'-P energy: -9.131 tors. eta vs tors. theta energy: -15.373 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: 4 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -192.413461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.413461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.413461 (E_RNA) where: Base-Base interactions energy: -125.009 where: short stacking energy: -66.366 Base-Backbone interact. energy: -0.013 local terms energy: -67.391652 where: bonds (distance) C4'-P energy: -13.151 bonds (distance) P-C4' energy: -12.051 flat angles C4'-P-C4' energy: -15.450 flat angles P-C4'-P energy: -10.410 tors. eta vs tors. theta energy: -16.329 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: 5, replica: 5 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -185.269304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.269304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.269304 (E_RNA) where: Base-Base interactions energy: -119.236 where: short stacking energy: -57.654 Base-Backbone interact. energy: -0.077 local terms energy: -65.956231 where: bonds (distance) C4'-P energy: -10.267 bonds (distance) P-C4' energy: -15.097 flat angles C4'-P-C4' energy: -14.668 flat angles P-C4'-P energy: -9.549 tors. eta vs tors. theta energy: -16.376 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: 6, replica: 7 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -176.484115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.484115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.484115 (E_RNA) where: Base-Base interactions energy: -115.996 where: short stacking energy: -48.991 Base-Backbone interact. energy: -0.358 local terms energy: -60.130274 where: bonds (distance) C4'-P energy: -13.645 bonds (distance) P-C4' energy: -16.253 flat angles C4'-P-C4' energy: -9.679 flat angles P-C4'-P energy: -10.626 tors. eta vs tors. theta energy: -9.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -168.980405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.980405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.980405 (E_RNA) where: Base-Base interactions energy: -112.318 where: short stacking energy: -43.595 Base-Backbone interact. energy: -0.353 local terms energy: -56.308916 where: bonds (distance) C4'-P energy: -12.794 bonds (distance) P-C4' energy: -12.372 flat angles C4'-P-C4' energy: -12.681 flat angles P-C4'-P energy: -9.383 tors. eta vs tors. theta energy: -9.079 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: 1 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -102.267110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.267110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.267110 (E_RNA) where: Base-Base interactions energy: -53.336 where: short stacking energy: -35.453 Base-Backbone interact. energy: -0.083 local terms energy: -48.848112 where: bonds (distance) C4'-P energy: -8.552 bonds (distance) P-C4' energy: -11.089 flat angles C4'-P-C4' energy: -13.149 flat angles P-C4'-P energy: -8.208 tors. eta vs tors. theta energy: -7.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -128.296881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.296881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.296881 (E_RNA) where: Base-Base interactions energy: -80.275 where: short stacking energy: -30.699 Base-Backbone interact. energy: -0.453 local terms energy: -47.568951 where: bonds (distance) C4'-P energy: -12.067 bonds (distance) P-C4' energy: -15.913 flat angles C4'-P-C4' energy: -8.551 flat angles P-C4'-P energy: -7.689 tors. eta vs tors. theta energy: -3.349 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: 338 Temperature: 1.350000 Total energy: -78.183752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.183752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.183752 (E_RNA) where: Base-Base interactions energy: -36.784 where: short stacking energy: -36.759 Base-Backbone interact. energy: -0.008 local terms energy: -41.391249 where: bonds (distance) C4'-P energy: -10.594 bonds (distance) P-C4' energy: -10.896 flat angles C4'-P-C4' energy: -13.866 flat angles P-C4'-P energy: -3.166 tors. eta vs tors. theta energy: -2.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -219.920745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.920745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.920745 (E_RNA) where: Base-Base interactions energy: -150.082 where: short stacking energy: -71.891 Base-Backbone interact. energy: -0.004 local terms energy: -69.835380 where: bonds (distance) C4'-P energy: -14.232 bonds (distance) P-C4' energy: -12.216 flat angles C4'-P-C4' energy: -14.807 flat angles P-C4'-P energy: -10.757 tors. eta vs tors. theta energy: -17.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -215.834640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.834640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.834640 (E_RNA) where: Base-Base interactions energy: -148.171 where: short stacking energy: -66.584 Base-Backbone interact. energy: -0.001 local terms energy: -67.663198 where: bonds (distance) C4'-P energy: -14.911 bonds (distance) P-C4' energy: -15.481 flat angles C4'-P-C4' energy: -15.628 flat angles P-C4'-P energy: -2.154 tors. eta vs tors. theta energy: -19.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -192.467203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.467203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.467203 (E_RNA) where: Base-Base interactions energy: -125.918 where: short stacking energy: -67.145 Base-Backbone interact. energy: -0.063 local terms energy: -66.486134 where: bonds (distance) C4'-P energy: -13.036 bonds (distance) P-C4' energy: -14.729 flat angles C4'-P-C4' energy: -10.347 flat angles P-C4'-P energy: -9.621 tors. eta vs tors. theta energy: -18.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -176.863302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.863302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.863302 (E_RNA) where: Base-Base interactions energy: -115.087 where: short stacking energy: -47.000 Base-Backbone interact. energy: 0.026 local terms energy: -61.802757 where: bonds (distance) C4'-P energy: -15.877 bonds (distance) P-C4' energy: -16.367 flat angles C4'-P-C4' energy: -12.150 flat angles P-C4'-P energy: -3.565 tors. eta vs tors. theta energy: -13.844 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: 4 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -184.127753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.127753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.127753 (E_RNA) where: Base-Base interactions energy: -125.267 where: short stacking energy: -56.787 Base-Backbone interact. energy: 0.830 local terms energy: -59.690158 where: bonds (distance) C4'-P energy: -8.366 bonds (distance) P-C4' energy: -14.893 flat angles C4'-P-C4' energy: -15.578 flat angles P-C4'-P energy: -4.659 tors. eta vs tors. theta energy: -16.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -182.520885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.520885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.520885 (E_RNA) where: Base-Base interactions energy: -126.380 where: short stacking energy: -55.540 Base-Backbone interact. energy: 0.097 local terms energy: -56.237786 where: bonds (distance) C4'-P energy: -11.865 bonds (distance) P-C4' energy: -10.946 flat angles C4'-P-C4' energy: -10.581 flat angles P-C4'-P energy: -11.589 tors. eta vs tors. theta energy: -11.257 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: 339 Temperature: 1.200000 Total energy: -177.500686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.500686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.500686 (E_RNA) where: Base-Base interactions energy: -112.267 where: short stacking energy: -53.710 Base-Backbone interact. energy: -0.217 local terms energy: -65.017456 where: bonds (distance) C4'-P energy: -14.927 bonds (distance) P-C4' energy: -14.290 flat angles C4'-P-C4' energy: -12.909 flat angles P-C4'-P energy: -10.578 tors. eta vs tors. theta energy: -12.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -155.585148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.585148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.585148 (E_RNA) where: Base-Base interactions energy: -99.400 where: short stacking energy: -43.964 Base-Backbone interact. energy: 2.488 local terms energy: -58.673814 where: bonds (distance) C4'-P energy: -12.048 bonds (distance) P-C4' energy: -13.239 flat angles C4'-P-C4' energy: -11.664 flat angles P-C4'-P energy: -10.150 tors. eta vs tors. theta energy: -11.573 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: 1 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -100.705047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.705047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.705047 (E_RNA) where: Base-Base interactions energy: -46.214 where: short stacking energy: -32.817 Base-Backbone interact. energy: -0.032 local terms energy: -54.459699 where: bonds (distance) C4'-P energy: -11.582 bonds (distance) P-C4' energy: -14.793 flat angles C4'-P-C4' energy: -14.833 flat angles P-C4'-P energy: -6.417 tors. eta vs tors. theta energy: -6.834 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: 3 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -72.869110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.869110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.869110 (E_RNA) where: Base-Base interactions energy: -26.955 where: short stacking energy: -22.935 Base-Backbone interact. energy: -0.025 local terms energy: -45.889325 where: bonds (distance) C4'-P energy: -11.165 bonds (distance) P-C4' energy: -16.544 flat angles C4'-P-C4' energy: -8.548 flat angles P-C4'-P energy: -6.163 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: 1, replica: 10 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -217.383028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.383028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.383028 (E_RNA) where: Base-Base interactions energy: -140.563 where: short stacking energy: -62.180 Base-Backbone interact. energy: -0.126 local terms energy: -76.694499 where: bonds (distance) C4'-P energy: -15.317 bonds (distance) P-C4' energy: -16.833 flat angles C4'-P-C4' energy: -16.364 flat angles P-C4'-P energy: -10.801 tors. eta vs tors. theta energy: -17.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -203.822039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.822039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.822039 (E_RNA) where: Base-Base interactions energy: -134.402 where: short stacking energy: -62.803 Base-Backbone interact. energy: -0.151 local terms energy: -69.268778 where: bonds (distance) C4'-P energy: -12.787 bonds (distance) P-C4' energy: -18.250 flat angles C4'-P-C4' energy: -14.909 flat angles P-C4'-P energy: -7.515 tors. eta vs tors. theta energy: -15.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -179.052461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.052461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.052461 (E_RNA) where: Base-Base interactions energy: -116.981 where: short stacking energy: -52.076 Base-Backbone interact. energy: -0.353 local terms energy: -61.718151 where: bonds (distance) C4'-P energy: -15.892 bonds (distance) P-C4' energy: -14.256 flat angles C4'-P-C4' energy: -16.074 flat angles P-C4'-P energy: -7.147 tors. eta vs tors. theta energy: -8.348 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: 4, replica: 6 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -203.025644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.025644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.025644 (E_RNA) where: Base-Base interactions energy: -136.085 where: short stacking energy: -63.948 Base-Backbone interact. energy: -0.008 local terms energy: -66.933081 where: bonds (distance) C4'-P energy: -12.340 bonds (distance) P-C4' energy: -13.017 flat angles C4'-P-C4' energy: -13.022 flat angles P-C4'-P energy: -10.930 tors. eta vs tors. theta energy: -17.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -177.663561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.663561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.663561 (E_RNA) where: Base-Base interactions energy: -119.419 where: short stacking energy: -48.939 Base-Backbone interact. energy: -0.193 local terms energy: -58.051613 where: bonds (distance) C4'-P energy: -6.370 bonds (distance) P-C4' energy: -16.153 flat angles C4'-P-C4' energy: -15.006 flat angles P-C4'-P energy: -9.300 tors. eta vs tors. theta energy: -11.222 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: 4 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -176.335082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.335082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.335082 (E_RNA) where: Base-Base interactions energy: -111.735 where: short stacking energy: -52.037 Base-Backbone interact. energy: -0.002 local terms energy: -64.598395 where: bonds (distance) C4'-P energy: -13.039 bonds (distance) P-C4' energy: -18.007 flat angles C4'-P-C4' energy: -13.301 flat angles P-C4'-P energy: -6.779 tors. eta vs tors. theta energy: -13.472 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: 2 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -173.843802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.843802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.843802 (E_RNA) where: Base-Base interactions energy: -106.484 where: short stacking energy: -48.259 Base-Backbone interact. energy: -0.106 local terms energy: -67.253707 where: bonds (distance) C4'-P energy: -13.633 bonds (distance) P-C4' energy: -14.377 flat angles C4'-P-C4' energy: -16.212 flat angles P-C4'-P energy: -8.688 tors. eta vs tors. theta energy: -14.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -150.833167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.833167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.833167 (E_RNA) where: Base-Base interactions energy: -89.248 where: short stacking energy: -37.981 Base-Backbone interact. energy: -0.385 local terms energy: -61.200356 where: bonds (distance) C4'-P energy: -13.685 bonds (distance) P-C4' energy: -17.207 flat angles C4'-P-C4' energy: -13.991 flat angles P-C4'-P energy: -10.140 tors. eta vs tors. theta energy: -6.179 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: 3 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -85.572858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.572858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.572858 (E_RNA) where: Base-Base interactions energy: -30.957 where: short stacking energy: -29.591 Base-Backbone interact. energy: -0.028 local terms energy: -54.588385 where: bonds (distance) C4'-P energy: -14.345 bonds (distance) P-C4' energy: -11.905 flat angles C4'-P-C4' energy: -13.533 flat angles P-C4'-P energy: -9.911 tors. eta vs tors. theta energy: -4.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -78.879781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.879781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.879781 (E_RNA) where: Base-Base interactions energy: -31.462 where: short stacking energy: -23.333 Base-Backbone interact. energy: -0.047 local terms energy: -47.370871 where: bonds (distance) C4'-P energy: -16.936 bonds (distance) P-C4' energy: -12.355 flat angles C4'-P-C4' energy: -12.347 flat angles P-C4'-P energy: -2.816 tors. eta vs tors. theta energy: -2.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -218.400188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.400188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.400188 (E_RNA) where: Base-Base interactions energy: -144.411 where: short stacking energy: -69.137 Base-Backbone interact. energy: -0.692 local terms energy: -73.296729 where: bonds (distance) C4'-P energy: -14.837 bonds (distance) P-C4' energy: -16.354 flat angles C4'-P-C4' energy: -16.174 flat angles P-C4'-P energy: -7.122 tors. eta vs tors. theta energy: -18.810 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: 2, replica: 9 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -202.452698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.452698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.452698 (E_RNA) where: Base-Base interactions energy: -137.847 where: short stacking energy: -59.008 Base-Backbone interact. energy: -0.043 local terms energy: -64.562188 where: bonds (distance) C4'-P energy: -13.404 bonds (distance) P-C4' energy: -12.601 flat angles C4'-P-C4' energy: -15.585 flat angles P-C4'-P energy: -6.507 tors. eta vs tors. theta energy: -16.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -194.551144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.551144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.551144 (E_RNA) where: Base-Base interactions energy: -127.736 where: short stacking energy: -69.926 Base-Backbone interact. energy: -0.002 local terms energy: -66.813185 where: bonds (distance) C4'-P energy: -11.654 bonds (distance) P-C4' energy: -8.853 flat angles C4'-P-C4' energy: -15.872 flat angles P-C4'-P energy: -11.913 tors. eta vs tors. theta energy: -18.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -189.498313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.498313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.498313 (E_RNA) where: Base-Base interactions energy: -128.355 where: short stacking energy: -46.454 Base-Backbone interact. energy: -0.412 local terms energy: -60.730856 where: bonds (distance) C4'-P energy: -15.082 bonds (distance) P-C4' energy: -13.879 flat angles C4'-P-C4' energy: -8.809 flat angles P-C4'-P energy: -7.491 tors. eta vs tors. theta energy: -15.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -174.428001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.428001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.428001 (E_RNA) where: Base-Base interactions energy: -112.400 where: short stacking energy: -55.892 Base-Backbone interact. energy: -0.032 local terms energy: -61.996342 where: bonds (distance) C4'-P energy: -10.415 bonds (distance) P-C4' energy: -13.149 flat angles C4'-P-C4' energy: -14.296 flat angles P-C4'-P energy: -11.299 tors. eta vs tors. theta energy: -12.837 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: 2 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -172.533222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.533222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.533222 (E_RNA) where: Base-Base interactions energy: -110.451 where: short stacking energy: -47.243 Base-Backbone interact. energy: -0.284 local terms energy: -61.797933 where: bonds (distance) C4'-P energy: -14.535 bonds (distance) P-C4' energy: -11.463 flat angles C4'-P-C4' energy: -14.113 flat angles P-C4'-P energy: -10.611 tors. eta vs tors. theta energy: -11.075 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: 4 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -172.343679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.343679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.343679 (E_RNA) where: Base-Base interactions energy: -117.675 where: short stacking energy: -51.357 Base-Backbone interact. energy: -0.085 local terms energy: -54.583732 where: bonds (distance) C4'-P energy: -14.850 bonds (distance) P-C4' energy: -9.849 flat angles C4'-P-C4' energy: -13.785 flat angles P-C4'-P energy: -2.844 tors. eta vs tors. theta energy: -13.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -174.952867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.952867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.952867 (E_RNA) where: Base-Base interactions energy: -114.972 where: short stacking energy: -52.852 Base-Backbone interact. energy: -0.224 local terms energy: -59.757042 where: bonds (distance) C4'-P energy: -9.190 bonds (distance) P-C4' energy: -15.591 flat angles C4'-P-C4' energy: -12.176 flat angles P-C4'-P energy: -9.609 tors. eta vs tors. theta energy: -13.190 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: 3 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -70.636688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.636688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.636688 (E_RNA) where: Base-Base interactions energy: -19.718 where: short stacking energy: -21.358 Base-Backbone interact. energy: -0.284 local terms energy: -50.634552 where: bonds (distance) C4'-P energy: -12.299 bonds (distance) P-C4' energy: -14.159 flat angles C4'-P-C4' energy: -13.525 flat angles P-C4'-P energy: -9.317 tors. eta vs tors. theta energy: -1.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -75.316353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.316353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.316353 (E_RNA) where: Base-Base interactions energy: -28.594 where: short stacking energy: -28.594 Base-Backbone interact. energy: -0.014 local terms energy: -46.708815 where: bonds (distance) C4'-P energy: -8.432 bonds (distance) P-C4' energy: -17.047 flat angles C4'-P-C4' energy: -7.919 flat angles P-C4'-P energy: -8.009 tors. eta vs tors. theta energy: -5.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -218.918197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.918197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.918197 (E_RNA) where: Base-Base interactions energy: -151.312 where: short stacking energy: -71.618 Base-Backbone interact. energy: -0.099 local terms energy: -67.506751 where: bonds (distance) C4'-P energy: -12.490 bonds (distance) P-C4' energy: -11.711 flat angles C4'-P-C4' energy: -15.674 flat angles P-C4'-P energy: -8.280 tors. eta vs tors. theta energy: -19.352 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: 9 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -206.076123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.076123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.076123 (E_RNA) where: Base-Base interactions energy: -138.141 where: short stacking energy: -62.684 Base-Backbone interact. energy: -0.040 local terms energy: -67.894209 where: bonds (distance) C4'-P energy: -12.962 bonds (distance) P-C4' energy: -16.758 flat angles C4'-P-C4' energy: -13.002 flat angles P-C4'-P energy: -8.515 tors. eta vs tors. theta energy: -16.657 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: 6 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -193.545698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.545698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.545698 (E_RNA) where: Base-Base interactions energy: -125.888 where: short stacking energy: -53.207 Base-Backbone interact. energy: -0.007 local terms energy: -67.651172 where: bonds (distance) C4'-P energy: -15.566 bonds (distance) P-C4' energy: -13.395 flat angles C4'-P-C4' energy: -16.024 flat angles P-C4'-P energy: -9.747 tors. eta vs tors. theta energy: -12.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -189.519705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.519705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.519705 (E_RNA) where: Base-Base interactions energy: -121.698 where: short stacking energy: -56.983 Base-Backbone interact. energy: -0.023 local terms energy: -67.798707 where: bonds (distance) C4'-P energy: -13.600 bonds (distance) P-C4' energy: -13.725 flat angles C4'-P-C4' energy: -15.050 flat angles P-C4'-P energy: -9.062 tors. eta vs tors. theta energy: -16.361 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: 2 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -177.336540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.336540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.336540 (E_RNA) where: Base-Base interactions energy: -120.584 where: short stacking energy: -57.069 Base-Backbone interact. energy: -0.292 local terms energy: -56.460186 where: bonds (distance) C4'-P energy: -10.953 bonds (distance) P-C4' energy: -11.689 flat angles C4'-P-C4' energy: -11.966 flat angles P-C4'-P energy: -9.085 tors. eta vs tors. theta energy: -12.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -174.244532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.244532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.244532 (E_RNA) where: Base-Base interactions energy: -109.425 where: short stacking energy: -50.870 Base-Backbone interact. energy: -0.198 local terms energy: -64.621972 where: bonds (distance) C4'-P energy: -13.548 bonds (distance) P-C4' energy: -12.564 flat angles C4'-P-C4' energy: -15.077 flat angles P-C4'-P energy: -10.920 tors. eta vs tors. theta energy: -12.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -165.323153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.323153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.323153 (E_RNA) where: Base-Base interactions energy: -113.983 where: short stacking energy: -47.221 Base-Backbone interact. energy: -0.142 local terms energy: -51.198256 where: bonds (distance) C4'-P energy: -12.183 bonds (distance) P-C4' energy: -11.836 flat angles C4'-P-C4' energy: -7.096 flat angles P-C4'-P energy: -8.205 tors. eta vs tors. theta energy: -11.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -157.668714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.668714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.668714 (E_RNA) where: Base-Base interactions energy: -105.631 where: short stacking energy: -44.579 Base-Backbone interact. energy: -0.088 local terms energy: -51.950013 where: bonds (distance) C4'-P energy: -11.724 bonds (distance) P-C4' energy: -11.145 flat angles C4'-P-C4' energy: -13.967 flat angles P-C4'-P energy: -7.476 tors. eta vs tors. theta energy: -7.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -83.575395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.575395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.575395 (E_RNA) where: Base-Base interactions energy: -41.451 where: short stacking energy: -41.451 Base-Backbone interact. energy: -0.006 local terms energy: -42.119103 where: bonds (distance) C4'-P energy: -13.504 bonds (distance) P-C4' energy: -9.767 flat angles C4'-P-C4' energy: -9.871 flat angles P-C4'-P energy: -5.986 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: 10, replica: 1 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -80.293635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.293635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.293635 (E_RNA) where: Base-Base interactions energy: -32.441 where: short stacking energy: -28.786 Base-Backbone interact. energy: -0.015 local terms energy: -47.837109 where: bonds (distance) C4'-P energy: -11.198 bonds (distance) P-C4' energy: -10.139 flat angles C4'-P-C4' energy: -8.738 flat angles P-C4'-P energy: -10.449 tors. eta vs tors. theta energy: -7.313 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: 343 Temperature: 0.900000 Total energy: -221.318489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.318489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.318489 (E_RNA) where: Base-Base interactions energy: -141.472 where: short stacking energy: -69.033 Base-Backbone interact. energy: 0.401 local terms energy: -80.247815 where: bonds (distance) C4'-P energy: -16.633 bonds (distance) P-C4' energy: -15.917 flat angles C4'-P-C4' energy: -17.768 flat angles P-C4'-P energy: -10.095 tors. eta vs tors. theta energy: -19.836 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: 9 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -219.014345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.014345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.014345 (E_RNA) where: Base-Base interactions energy: -144.915 where: short stacking energy: -63.616 Base-Backbone interact. energy: -0.489 local terms energy: -73.609804 where: bonds (distance) C4'-P energy: -13.474 bonds (distance) P-C4' energy: -15.158 flat angles C4'-P-C4' energy: -13.331 flat angles P-C4'-P energy: -10.390 tors. eta vs tors. theta energy: -21.258 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: 6 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -192.890468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.890468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.890468 (E_RNA) where: Base-Base interactions energy: -122.661 where: short stacking energy: -50.932 Base-Backbone interact. energy: 0.523 local terms energy: -70.752723 where: bonds (distance) C4'-P energy: -14.749 bonds (distance) P-C4' energy: -12.482 flat angles C4'-P-C4' energy: -15.910 flat angles P-C4'-P energy: -12.703 tors. eta vs tors. theta energy: -14.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -189.809523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.809523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.809523 (E_RNA) where: Base-Base interactions energy: -129.443 where: short stacking energy: -62.068 Base-Backbone interact. energy: -0.107 local terms energy: -60.259140 where: bonds (distance) C4'-P energy: -14.617 bonds (distance) P-C4' energy: -14.597 flat angles C4'-P-C4' energy: -9.080 flat angles P-C4'-P energy: -7.567 tors. eta vs tors. theta energy: -14.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -163.173295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.173295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.173295 (E_RNA) where: Base-Base interactions energy: -110.335 where: short stacking energy: -49.955 Base-Backbone interact. energy: 0.406 local terms energy: -53.244730 where: bonds (distance) C4'-P energy: -10.648 bonds (distance) P-C4' energy: -14.846 flat angles C4'-P-C4' energy: -12.610 flat angles P-C4'-P energy: -5.490 tors. eta vs tors. theta energy: -9.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -170.393862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.393862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.393862 (E_RNA) where: Base-Base interactions energy: -112.420 where: short stacking energy: -47.057 Base-Backbone interact. energy: 0.178 local terms energy: -58.151928 where: bonds (distance) C4'-P energy: -11.674 bonds (distance) P-C4' energy: -15.047 flat angles C4'-P-C4' energy: -13.113 flat angles P-C4'-P energy: -7.904 tors. eta vs tors. theta energy: -10.413 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: 8 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -167.244666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.244666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.244666 (E_RNA) where: Base-Base interactions energy: -113.310 where: short stacking energy: -50.234 Base-Backbone interact. energy: -0.089 local terms energy: -53.845203 where: bonds (distance) C4'-P energy: -10.150 bonds (distance) P-C4' energy: -13.989 flat angles C4'-P-C4' energy: -10.058 flat angles P-C4'-P energy: -8.617 tors. eta vs tors. theta energy: -11.030 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: 343 Temperature: 1.250000 Total energy: -161.322401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.322401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.322401 (E_RNA) where: Base-Base interactions energy: -105.554 where: short stacking energy: -45.135 Base-Backbone interact. energy: -0.050 local terms energy: -55.718633 where: bonds (distance) C4'-P energy: -14.980 bonds (distance) P-C4' energy: -14.610 flat angles C4'-P-C4' energy: -7.993 flat angles P-C4'-P energy: -8.801 tors. eta vs tors. theta energy: -9.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -85.849202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.849202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.849202 (E_RNA) where: Base-Base interactions energy: -35.023 where: short stacking energy: -34.381 Base-Backbone interact. energy: -0.568 local terms energy: -50.258460 where: bonds (distance) C4'-P energy: -10.929 bonds (distance) P-C4' energy: -12.757 flat angles C4'-P-C4' energy: -11.227 flat angles P-C4'-P energy: -9.638 tors. eta vs tors. theta energy: -5.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -74.874551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.874551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.874551 (E_RNA) where: Base-Base interactions energy: -21.067 where: short stacking energy: -19.851 Base-Backbone interact. energy: -0.028 local terms energy: -53.780442 where: bonds (distance) C4'-P energy: -16.177 bonds (distance) P-C4' energy: -16.048 flat angles C4'-P-C4' energy: -10.576 flat angles P-C4'-P energy: -9.525 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: 1, replica: 10 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -217.718929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.718929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.718929 (E_RNA) where: Base-Base interactions energy: -143.890 where: short stacking energy: -72.434 Base-Backbone interact. energy: -0.002 local terms energy: -73.827469 where: bonds (distance) C4'-P energy: -12.681 bonds (distance) P-C4' energy: -16.027 flat angles C4'-P-C4' energy: -15.663 flat angles P-C4'-P energy: -8.104 tors. eta vs tors. theta energy: -21.352 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: 9 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -211.046259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.046259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.046259 (E_RNA) where: Base-Base interactions energy: -142.625 where: short stacking energy: -65.024 Base-Backbone interact. energy: -0.014 local terms energy: -68.407583 where: bonds (distance) C4'-P energy: -12.505 bonds (distance) P-C4' energy: -13.781 flat angles C4'-P-C4' energy: -13.932 flat angles P-C4'-P energy: -7.362 tors. eta vs tors. theta energy: -20.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -202.303359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.303359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.303359 (E_RNA) where: Base-Base interactions energy: -132.291 where: short stacking energy: -53.704 Base-Backbone interact. energy: -0.332 local terms energy: -69.680239 where: bonds (distance) C4'-P energy: -12.369 bonds (distance) P-C4' energy: -15.746 flat angles C4'-P-C4' energy: -13.820 flat angles P-C4'-P energy: -10.533 tors. eta vs tors. theta energy: -17.212 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: 4, replica: 6 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -192.190421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.190421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.190421 (E_RNA) where: Base-Base interactions energy: -128.355 where: short stacking energy: -48.992 Base-Backbone interact. energy: -0.108 local terms energy: -63.727237 where: bonds (distance) C4'-P energy: -15.366 bonds (distance) P-C4' energy: -11.303 flat angles C4'-P-C4' energy: -15.637 flat angles P-C4'-P energy: -7.973 tors. eta vs tors. theta energy: -13.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -170.105741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.105741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.105741 (E_RNA) where: Base-Base interactions energy: -115.099 where: short stacking energy: -57.533 Base-Backbone interact. energy: -0.227 local terms energy: -54.780094 where: bonds (distance) C4'-P energy: -9.729 bonds (distance) P-C4' energy: -11.662 flat angles C4'-P-C4' energy: -13.255 flat angles P-C4'-P energy: -9.028 tors. eta vs tors. theta energy: -11.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -183.555603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.555603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.555603 (E_RNA) where: Base-Base interactions energy: -117.726 where: short stacking energy: -55.749 Base-Backbone interact. energy: -0.064 local terms energy: -65.765504 where: bonds (distance) C4'-P energy: -14.883 bonds (distance) P-C4' energy: -12.386 flat angles C4'-P-C4' energy: -15.976 flat angles P-C4'-P energy: -9.416 tors. eta vs tors. theta energy: -13.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -164.629923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.629923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.629923 (E_RNA) where: Base-Base interactions energy: -108.271 where: short stacking energy: -46.663 Base-Backbone interact. energy: -0.133 local terms energy: -56.226564 where: bonds (distance) C4'-P energy: -12.837 bonds (distance) P-C4' energy: -11.979 flat angles C4'-P-C4' energy: -12.144 flat angles P-C4'-P energy: -6.637 tors. eta vs tors. theta energy: -12.630 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: 8 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -143.897107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.897107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.897107 (E_RNA) where: Base-Base interactions energy: -81.078 where: short stacking energy: -41.714 Base-Backbone interact. energy: -0.025 local terms energy: -62.794209 where: bonds (distance) C4'-P energy: -14.581 bonds (distance) P-C4' energy: -15.122 flat angles C4'-P-C4' energy: -14.916 flat angles P-C4'-P energy: -8.079 tors. eta vs tors. theta energy: -10.097 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: 344 Temperature: 1.300000 Total energy: -93.933396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.933396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.933396 (E_RNA) where: Base-Base interactions energy: -35.568 where: short stacking energy: -33.398 Base-Backbone interact. energy: -0.202 local terms energy: -58.163764 where: bonds (distance) C4'-P energy: -16.525 bonds (distance) P-C4' energy: -14.650 flat angles C4'-P-C4' energy: -10.320 flat angles P-C4'-P energy: -3.489 tors. eta vs tors. theta energy: -13.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -74.206930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.206930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.206930 (E_RNA) where: Base-Base interactions energy: -20.611 where: short stacking energy: -20.611 Base-Backbone interact. energy: 1.894 local terms energy: -55.490019 where: bonds (distance) C4'-P energy: -15.822 bonds (distance) P-C4' energy: -12.364 flat angles C4'-P-C4' energy: -11.989 flat angles P-C4'-P energy: -10.615 tors. eta vs tors. theta energy: -4.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -218.680898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.680898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.680898 (E_RNA) where: Base-Base interactions energy: -143.275 where: short stacking energy: -68.186 Base-Backbone interact. energy: -0.070 local terms energy: -75.336507 where: bonds (distance) C4'-P energy: -15.167 bonds (distance) P-C4' energy: -15.967 flat angles C4'-P-C4' energy: -14.045 flat angles P-C4'-P energy: -9.283 tors. eta vs tors. theta energy: -20.874 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: 9 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -207.481661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.481661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.481661 (E_RNA) where: Base-Base interactions energy: -139.133 where: short stacking energy: -58.182 Base-Backbone interact. energy: -0.021 local terms energy: -68.327788 where: bonds (distance) C4'-P energy: -16.016 bonds (distance) P-C4' energy: -11.247 flat angles C4'-P-C4' energy: -15.881 flat angles P-C4'-P energy: -4.450 tors. eta vs tors. theta energy: -20.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -198.250385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.250385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.250385 (E_RNA) where: Base-Base interactions energy: -130.180 where: short stacking energy: -58.013 Base-Backbone interact. energy: -0.178 local terms energy: -67.892345 where: bonds (distance) C4'-P energy: -13.288 bonds (distance) P-C4' energy: -14.912 flat angles C4'-P-C4' energy: -16.857 flat angles P-C4'-P energy: -7.899 tors. eta vs tors. theta energy: -14.937 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: 6 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -191.666648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.666648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.666648 (E_RNA) where: Base-Base interactions energy: -133.220 where: short stacking energy: -57.710 Base-Backbone interact. energy: -0.002 local terms energy: -58.444554 where: bonds (distance) C4'-P energy: -13.575 bonds (distance) P-C4' energy: -13.017 flat angles C4'-P-C4' energy: -13.326 flat angles P-C4'-P energy: -3.044 tors. eta vs tors. theta energy: -15.482 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: 5 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -188.859250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.859250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.859250 (E_RNA) where: Base-Base interactions energy: -123.894 where: short stacking energy: -52.796 Base-Backbone interact. energy: -0.003 local terms energy: -64.962128 where: bonds (distance) C4'-P energy: -11.151 bonds (distance) P-C4' energy: -17.362 flat angles C4'-P-C4' energy: -14.803 flat angles P-C4'-P energy: -9.606 tors. eta vs tors. theta energy: -12.041 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: 4 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -177.292445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.292445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.292445 (E_RNA) where: Base-Base interactions energy: -122.811 where: short stacking energy: -47.879 Base-Backbone interact. energy: -0.016 local terms energy: -54.464752 where: bonds (distance) C4'-P energy: -15.458 bonds (distance) P-C4' energy: -7.857 flat angles C4'-P-C4' energy: -12.130 flat angles P-C4'-P energy: -9.154 tors. eta vs tors. theta energy: -9.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -164.136630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.136630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.136630 (E_RNA) where: Base-Base interactions energy: -107.988 where: short stacking energy: -50.463 Base-Backbone interact. energy: -0.137 local terms energy: -56.011002 where: bonds (distance) C4'-P energy: -7.053 bonds (distance) P-C4' energy: -14.346 flat angles C4'-P-C4' energy: -9.742 flat angles P-C4'-P energy: -11.649 tors. eta vs tors. theta energy: -13.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -151.485378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.485378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.485378 (E_RNA) where: Base-Base interactions energy: -97.924 where: short stacking energy: -39.836 Base-Backbone interact. energy: -0.623 local terms energy: -52.937870 where: bonds (distance) C4'-P energy: -14.817 bonds (distance) P-C4' energy: -7.189 flat angles C4'-P-C4' energy: -13.415 flat angles P-C4'-P energy: -10.512 tors. eta vs tors. theta energy: -7.005 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: 1 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -97.364599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.364599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.364599 (E_RNA) where: Base-Base interactions energy: -53.341 where: short stacking energy: -38.415 Base-Backbone interact. energy: -0.172 local terms energy: -43.851768 where: bonds (distance) C4'-P energy: -5.583 bonds (distance) P-C4' energy: -11.194 flat angles C4'-P-C4' energy: -13.946 flat angles P-C4'-P energy: -6.571 tors. eta vs tors. theta energy: -6.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -87.203965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.203965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.203965 (E_RNA) where: Base-Base interactions energy: -43.569 where: short stacking energy: -31.466 Base-Backbone interact. energy: -0.127 local terms energy: -43.507353 where: bonds (distance) C4'-P energy: -11.416 bonds (distance) P-C4' energy: -10.620 flat angles C4'-P-C4' energy: -10.066 flat angles P-C4'-P energy: -7.693 tors. eta vs tors. theta energy: -3.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -210.586756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.586756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.586756 (E_RNA) where: Base-Base interactions energy: -142.020 where: short stacking energy: -60.957 Base-Backbone interact. energy: -0.124 local terms energy: -68.442895 where: bonds (distance) C4'-P energy: -14.870 bonds (distance) P-C4' energy: -15.504 flat angles C4'-P-C4' energy: -14.983 flat angles P-C4'-P energy: -5.822 tors. eta vs tors. theta energy: -17.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -212.384330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.384330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.384330 (E_RNA) where: Base-Base interactions energy: -143.682 where: short stacking energy: -68.670 Base-Backbone interact. energy: -0.227 local terms energy: -68.475765 where: bonds (distance) C4'-P energy: -9.969 bonds (distance) P-C4' energy: -15.350 flat angles C4'-P-C4' energy: -14.939 flat angles P-C4'-P energy: -7.057 tors. eta vs tors. theta energy: -21.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -207.212387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.212387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.212387 (E_RNA) where: Base-Base interactions energy: -142.511 where: short stacking energy: -60.546 Base-Backbone interact. energy: -0.101 local terms energy: -64.601201 where: bonds (distance) C4'-P energy: -15.338 bonds (distance) P-C4' energy: -13.095 flat angles C4'-P-C4' energy: -14.153 flat angles P-C4'-P energy: -8.915 tors. eta vs tors. theta energy: -13.100 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: 346 Temperature: 1.050000 Total energy: -195.258496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.258496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.258496 (E_RNA) where: Base-Base interactions energy: -125.882 where: short stacking energy: -60.739 Base-Backbone interact. energy: -0.001 local terms energy: -69.374656 where: bonds (distance) C4'-P energy: -13.984 bonds (distance) P-C4' energy: -17.556 flat angles C4'-P-C4' energy: -16.121 flat angles P-C4'-P energy: -3.401 tors. eta vs tors. theta energy: -18.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -194.903731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.903731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.903731 (E_RNA) where: Base-Base interactions energy: -126.088 where: short stacking energy: -55.366 Base-Backbone interact. energy: -0.007 local terms energy: -68.809294 where: bonds (distance) C4'-P energy: -14.845 bonds (distance) P-C4' energy: -16.791 flat angles C4'-P-C4' energy: -13.513 flat angles P-C4'-P energy: -8.334 tors. eta vs tors. theta energy: -15.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -167.957752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.957752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.957752 (E_RNA) where: Base-Base interactions energy: -112.336 where: short stacking energy: -49.797 Base-Backbone interact. energy: -0.042 local terms energy: -55.579486 where: bonds (distance) C4'-P energy: -13.917 bonds (distance) P-C4' energy: -12.157 flat angles C4'-P-C4' energy: -13.375 flat angles P-C4'-P energy: -3.593 tors. eta vs tors. theta energy: -12.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -184.793427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.793427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.793427 (E_RNA) where: Base-Base interactions energy: -129.348 where: short stacking energy: -49.770 Base-Backbone interact. energy: -0.001 local terms energy: -55.444597 where: bonds (distance) C4'-P energy: -10.204 bonds (distance) P-C4' energy: -12.348 flat angles C4'-P-C4' energy: -13.469 flat angles P-C4'-P energy: -4.737 tors. eta vs tors. theta energy: -14.686 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: 7 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -168.906360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.906360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.906360 (E_RNA) where: Base-Base interactions energy: -105.197 where: short stacking energy: -52.004 Base-Backbone interact. energy: -0.004 local terms energy: -63.705449 where: bonds (distance) C4'-P energy: -10.788 bonds (distance) P-C4' energy: -13.588 flat angles C4'-P-C4' energy: -14.357 flat angles P-C4'-P energy: -9.224 tors. eta vs tors. theta energy: -15.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -80.607958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.607958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.607958 (E_RNA) where: Base-Base interactions energy: -31.317 where: short stacking energy: -22.692 Base-Backbone interact. energy: -0.149 local terms energy: -49.142937 where: bonds (distance) C4'-P energy: -14.697 bonds (distance) P-C4' energy: -10.250 flat angles C4'-P-C4' energy: -14.357 flat angles P-C4'-P energy: -10.298 tors. eta vs tors. theta energy: 0.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -94.949330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.949330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.949330 (E_RNA) where: Base-Base interactions energy: -49.498 where: short stacking energy: -27.009 Base-Backbone interact. energy: 0.347 local terms energy: -45.798259 where: bonds (distance) C4'-P energy: -12.920 bonds (distance) P-C4' energy: -11.887 flat angles C4'-P-C4' energy: -11.549 flat angles P-C4'-P energy: -9.571 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: 1, replica: 9 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -214.870697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.870697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.870697 (E_RNA) where: Base-Base interactions energy: -144.051 where: short stacking energy: -62.784 Base-Backbone interact. energy: -0.005 local terms energy: -70.815215 where: bonds (distance) C4'-P energy: -15.388 bonds (distance) P-C4' energy: -13.905 flat angles C4'-P-C4' energy: -13.134 flat angles P-C4'-P energy: -6.706 tors. eta vs tors. theta energy: -21.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -195.819076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.819076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.819076 (E_RNA) where: Base-Base interactions energy: -131.880 where: short stacking energy: -51.174 Base-Backbone interact. energy: -0.147 local terms energy: -63.791410 where: bonds (distance) C4'-P energy: -15.222 bonds (distance) P-C4' energy: -16.653 flat angles C4'-P-C4' energy: -13.982 flat angles P-C4'-P energy: -7.375 tors. eta vs tors. theta energy: -10.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -215.054623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.054623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.054623 (E_RNA) where: Base-Base interactions energy: -138.558 where: short stacking energy: -64.457 Base-Backbone interact. energy: -0.612 local terms energy: -75.884305 where: bonds (distance) C4'-P energy: -16.890 bonds (distance) P-C4' energy: -13.051 flat angles C4'-P-C4' energy: -16.488 flat angles P-C4'-P energy: -11.448 tors. eta vs tors. theta energy: -18.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -183.694878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.694878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.694878 (E_RNA) where: Base-Base interactions energy: -131.786 where: short stacking energy: -59.521 Base-Backbone interact. energy: -0.018 local terms energy: -51.891081 where: bonds (distance) C4'-P energy: -10.519 bonds (distance) P-C4' energy: -9.972 flat angles C4'-P-C4' energy: -11.163 flat angles P-C4'-P energy: -8.573 tors. eta vs tors. theta energy: -11.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -188.844662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.844662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.844662 (E_RNA) where: Base-Base interactions energy: -128.131 where: short stacking energy: -57.804 Base-Backbone interact. energy: -0.698 local terms energy: -60.014847 where: bonds (distance) C4'-P energy: -12.221 bonds (distance) P-C4' energy: -11.261 flat angles C4'-P-C4' energy: -15.125 flat angles P-C4'-P energy: -5.186 tors. eta vs tors. theta energy: -16.222 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: 8 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -178.425969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.425969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.425969 (E_RNA) where: Base-Base interactions energy: -114.176 where: short stacking energy: -60.041 Base-Backbone interact. energy: 0.540 local terms energy: -64.789948 where: bonds (distance) C4'-P energy: -14.567 bonds (distance) P-C4' energy: -15.882 flat angles C4'-P-C4' energy: -11.518 flat angles P-C4'-P energy: -7.157 tors. eta vs tors. theta energy: -15.666 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: 5 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -162.949571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.949571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.949571 (E_RNA) where: Base-Base interactions energy: -113.534 where: short stacking energy: -43.060 Base-Backbone interact. energy: -0.035 local terms energy: -49.380218 where: bonds (distance) C4'-P energy: -9.360 bonds (distance) P-C4' energy: -10.909 flat angles C4'-P-C4' energy: -11.554 flat angles P-C4'-P energy: -9.525 tors. eta vs tors. theta energy: -8.033 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: 7 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -158.857261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.857261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.857261 (E_RNA) where: Base-Base interactions energy: -103.121 where: short stacking energy: -46.509 Base-Backbone interact. energy: -0.380 local terms energy: -55.356209 where: bonds (distance) C4'-P energy: -14.614 bonds (distance) P-C4' energy: -11.852 flat angles C4'-P-C4' energy: -12.705 flat angles P-C4'-P energy: -10.360 tors. eta vs tors. theta energy: -5.825 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: 9, replica: 3 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -79.692879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.692879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.692879 (E_RNA) where: Base-Base interactions energy: -34.607 where: short stacking energy: -24.636 Base-Backbone interact. energy: -0.309 local terms energy: -44.776959 where: bonds (distance) C4'-P energy: -8.636 bonds (distance) P-C4' energy: -15.115 flat angles C4'-P-C4' energy: -11.724 flat angles P-C4'-P energy: -6.786 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: 10, replica: 1 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -75.814466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.814466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.814466 (E_RNA) where: Base-Base interactions energy: -24.601 where: short stacking energy: -19.620 Base-Backbone interact. energy: -0.482 local terms energy: -50.730965 where: bonds (distance) C4'-P energy: -11.906 bonds (distance) P-C4' energy: -14.786 flat angles C4'-P-C4' energy: -14.491 flat angles P-C4'-P energy: -8.241 tors. eta vs tors. theta energy: -1.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -221.514552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.514552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.514552 (E_RNA) where: Base-Base interactions energy: -149.063 where: short stacking energy: -65.574 Base-Backbone interact. energy: -0.004 local terms energy: -72.447673 where: bonds (distance) C4'-P energy: -13.143 bonds (distance) P-C4' energy: -15.738 flat angles C4'-P-C4' energy: -15.518 flat angles P-C4'-P energy: -10.828 tors. eta vs tors. theta energy: -17.220 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: 2 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -201.367857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.367857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.367857 (E_RNA) where: Base-Base interactions energy: -130.723 where: short stacking energy: -58.540 Base-Backbone interact. energy: -0.038 local terms energy: -70.606297 where: bonds (distance) C4'-P energy: -14.298 bonds (distance) P-C4' energy: -14.480 flat angles C4'-P-C4' energy: -14.419 flat angles P-C4'-P energy: -11.492 tors. eta vs tors. theta energy: -15.918 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: 10 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -213.016743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.016743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.016743 (E_RNA) where: Base-Base interactions energy: -139.174 where: short stacking energy: -61.957 Base-Backbone interact. energy: -0.056 local terms energy: -73.786972 where: bonds (distance) C4'-P energy: -16.078 bonds (distance) P-C4' energy: -13.079 flat angles C4'-P-C4' energy: -16.273 flat angles P-C4'-P energy: -8.878 tors. eta vs tors. theta energy: -19.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -173.314627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.314627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.314627 (E_RNA) where: Base-Base interactions energy: -114.254 where: short stacking energy: -48.260 Base-Backbone interact. energy: 0.717 local terms energy: -59.777311 where: bonds (distance) C4'-P energy: -14.795 bonds (distance) P-C4' energy: -10.710 flat angles C4'-P-C4' energy: -13.901 flat angles P-C4'-P energy: -9.350 tors. eta vs tors. theta energy: -11.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -184.733869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.733869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.733869 (E_RNA) where: Base-Base interactions energy: -122.109 where: short stacking energy: -56.233 Base-Backbone interact. energy: -0.301 local terms energy: -62.323581 where: bonds (distance) C4'-P energy: -11.040 bonds (distance) P-C4' energy: -17.079 flat angles C4'-P-C4' energy: -11.056 flat angles P-C4'-P energy: -5.831 tors. eta vs tors. theta energy: -17.318 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: 6, replica: 8 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -184.618456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.618456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.618456 (E_RNA) where: Base-Base interactions energy: -120.560 where: short stacking energy: -53.903 Base-Backbone interact. energy: 0.150 local terms energy: -64.208731 where: bonds (distance) C4'-P energy: -15.097 bonds (distance) P-C4' energy: -12.467 flat angles C4'-P-C4' energy: -9.888 flat angles P-C4'-P energy: -10.435 tors. eta vs tors. theta energy: -16.321 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: 7 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -166.294932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.294932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.294932 (E_RNA) where: Base-Base interactions energy: -108.781 where: short stacking energy: -52.449 Base-Backbone interact. energy: 0.809 local terms energy: -58.323011 where: bonds (distance) C4'-P energy: -12.538 bonds (distance) P-C4' energy: -12.046 flat angles C4'-P-C4' energy: -13.580 flat angles P-C4'-P energy: -7.380 tors. eta vs tors. theta energy: -12.778 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: 5 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -138.621720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.621720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.621720 (E_RNA) where: Base-Base interactions energy: -79.734 where: short stacking energy: -30.489 Base-Backbone interact. energy: -1.689 local terms energy: -57.198726 where: bonds (distance) C4'-P energy: -12.522 bonds (distance) P-C4' energy: -16.296 flat angles C4'-P-C4' energy: -11.271 flat angles P-C4'-P energy: -7.898 tors. eta vs tors. theta energy: -9.211 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: 3 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -73.194675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.194675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.194675 (E_RNA) where: Base-Base interactions energy: -35.524 where: short stacking energy: -32.255 Base-Backbone interact. energy: -0.071 local terms energy: -37.599929 where: bonds (distance) C4'-P energy: -13.437 bonds (distance) P-C4' energy: -9.660 flat angles C4'-P-C4' energy: -2.483 flat angles P-C4'-P energy: -7.698 tors. eta vs tors. theta energy: -4.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -81.895336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.895336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.895336 (E_RNA) where: Base-Base interactions energy: -39.933 where: short stacking energy: -20.097 Base-Backbone interact. energy: 0.262 local terms energy: -42.223867 where: bonds (distance) C4'-P energy: -12.667 bonds (distance) P-C4' energy: -8.688 flat angles C4'-P-C4' energy: -8.455 flat angles P-C4'-P energy: -9.643 tors. eta vs tors. theta energy: -2.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -212.316137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.316137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.316137 (E_RNA) where: Base-Base interactions energy: -148.951 where: short stacking energy: -68.724 Base-Backbone interact. energy: -0.002 local terms energy: -63.362981 where: bonds (distance) C4'-P energy: -14.137 bonds (distance) P-C4' energy: -10.220 flat angles C4'-P-C4' energy: -17.150 flat angles P-C4'-P energy: -5.270 tors. eta vs tors. theta energy: -16.586 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: 10 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -204.743816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.743816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.743816 (E_RNA) where: Base-Base interactions energy: -132.236 where: short stacking energy: -64.262 Base-Backbone interact. energy: -0.001 local terms energy: -72.506334 where: bonds (distance) C4'-P energy: -15.027 bonds (distance) P-C4' energy: -14.986 flat angles C4'-P-C4' energy: -11.832 flat angles P-C4'-P energy: -11.682 tors. eta vs tors. theta energy: -18.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -196.775999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.775999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.775999 (E_RNA) where: Base-Base interactions energy: -127.343 where: short stacking energy: -57.017 Base-Backbone interact. energy: -0.280 local terms energy: -69.153956 where: bonds (distance) C4'-P energy: -14.186 bonds (distance) P-C4' energy: -15.125 flat angles C4'-P-C4' energy: -14.030 flat angles P-C4'-P energy: -11.663 tors. eta vs tors. theta energy: -14.149 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: 6 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -187.072151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.072151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.072151 (E_RNA) where: Base-Base interactions energy: -119.298 where: short stacking energy: -51.788 Base-Backbone interact. energy: 0.361 local terms energy: -68.134874 where: bonds (distance) C4'-P energy: -12.652 bonds (distance) P-C4' energy: -15.019 flat angles C4'-P-C4' energy: -16.107 flat angles P-C4'-P energy: -9.123 tors. eta vs tors. theta energy: -15.234 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: 349 Temperature: 1.100000 Total energy: -177.598927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.598927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.598927 (E_RNA) where: Base-Base interactions energy: -116.600 where: short stacking energy: -51.510 Base-Backbone interact. energy: 0.707 local terms energy: -61.705622 where: bonds (distance) C4'-P energy: -12.963 bonds (distance) P-C4' energy: -14.222 flat angles C4'-P-C4' energy: -14.362 flat angles P-C4'-P energy: -8.902 tors. eta vs tors. theta energy: -11.256 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: 7 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -152.247261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.247261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.247261 (E_RNA) where: Base-Base interactions energy: -96.665 where: short stacking energy: -36.918 Base-Backbone interact. energy: -0.185 local terms energy: -55.397301 where: bonds (distance) C4'-P energy: -13.478 bonds (distance) P-C4' energy: -11.756 flat angles C4'-P-C4' energy: -12.453 flat angles P-C4'-P energy: -11.392 tors. eta vs tors. theta energy: -6.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -191.262851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.262851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.262851 (E_RNA) where: Base-Base interactions energy: -128.036 where: short stacking energy: -55.985 Base-Backbone interact. energy: -0.009 local terms energy: -63.218137 where: bonds (distance) C4'-P energy: -11.699 bonds (distance) P-C4' energy: -10.424 flat angles C4'-P-C4' energy: -14.625 flat angles P-C4'-P energy: -9.645 tors. eta vs tors. theta energy: -16.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -145.589124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.589124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.589124 (E_RNA) where: Base-Base interactions energy: -88.998 where: short stacking energy: -38.576 Base-Backbone interact. energy: -0.741 local terms energy: -55.850227 where: bonds (distance) C4'-P energy: -13.571 bonds (distance) P-C4' energy: -12.279 flat angles C4'-P-C4' energy: -14.210 flat angles P-C4'-P energy: -8.902 tors. eta vs tors. theta energy: -6.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -75.208344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.208344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.208344 (E_RNA) where: Base-Base interactions energy: -23.071 where: short stacking energy: -22.332 Base-Backbone interact. energy: 1.142 local terms energy: -53.279379 where: bonds (distance) C4'-P energy: -16.000 bonds (distance) P-C4' energy: -16.784 flat angles C4'-P-C4' energy: -9.303 flat angles P-C4'-P energy: -8.185 tors. eta vs tors. theta energy: -3.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -85.328721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.328721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.328721 (E_RNA) where: Base-Base interactions energy: -47.849 where: short stacking energy: -34.213 Base-Backbone interact. energy: -0.493 local terms energy: -36.986034 where: bonds (distance) C4'-P energy: -5.273 bonds (distance) P-C4' energy: -11.774 flat angles C4'-P-C4' energy: -7.167 flat angles P-C4'-P energy: -9.127 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: 1, replica: 9 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -214.445197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.445197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.445197 (E_RNA) where: Base-Base interactions energy: -148.665 where: short stacking energy: -67.770 Base-Backbone interact. energy: -0.004 local terms energy: -65.776029 where: bonds (distance) C4'-P energy: -12.796 bonds (distance) P-C4' energy: -16.146 flat angles C4'-P-C4' energy: -13.364 flat angles P-C4'-P energy: -4.374 tors. eta vs tors. theta energy: -19.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -215.970794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.970794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.970794 (E_RNA) where: Base-Base interactions energy: -143.989 where: short stacking energy: -66.268 Base-Backbone interact. energy: -0.007 local terms energy: -71.974931 where: bonds (distance) C4'-P energy: -15.983 bonds (distance) P-C4' energy: -16.188 flat angles C4'-P-C4' energy: -14.653 flat angles P-C4'-P energy: -7.174 tors. eta vs tors. theta energy: -17.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -191.363888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.363888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.363888 (E_RNA) where: Base-Base interactions energy: -124.292 where: short stacking energy: -57.747 Base-Backbone interact. energy: -0.378 local terms energy: -66.693983 where: bonds (distance) C4'-P energy: -15.726 bonds (distance) P-C4' energy: -14.063 flat angles C4'-P-C4' energy: -11.154 flat angles P-C4'-P energy: -11.975 tors. eta vs tors. theta energy: -13.776 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: 2 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -188.082968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.082968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.082968 (E_RNA) where: Base-Base interactions energy: -114.343 where: short stacking energy: -59.514 Base-Backbone interact. energy: -0.011 local terms energy: -73.728964 where: bonds (distance) C4'-P energy: -14.542 bonds (distance) P-C4' energy: -13.992 flat angles C4'-P-C4' energy: -15.802 flat angles P-C4'-P energy: -13.439 tors. eta vs tors. theta energy: -15.953 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: 5, replica: 7 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -177.062550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.062550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.062550 (E_RNA) where: Base-Base interactions energy: -124.387 where: short stacking energy: -43.424 Base-Backbone interact. energy: 0.180 local terms energy: -52.855942 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -14.229 flat angles C4'-P-C4' energy: -12.205 flat angles P-C4'-P energy: -10.220 tors. eta vs tors. theta energy: -8.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -184.521457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.521457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.521457 (E_RNA) where: Base-Base interactions energy: -130.899 where: short stacking energy: -51.314 Base-Backbone interact. energy: -0.100 local terms energy: -53.522316 where: bonds (distance) C4'-P energy: -9.079 bonds (distance) P-C4' energy: -16.247 flat angles C4'-P-C4' energy: -12.497 flat angles P-C4'-P energy: -6.315 tors. eta vs tors. theta energy: -9.384 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: 350 Temperature: 1.200000 Total energy: -164.024314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.024314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.024314 (E_RNA) where: Base-Base interactions energy: -106.302 where: short stacking energy: -47.109 Base-Backbone interact. energy: -0.245 local terms energy: -57.477020 where: bonds (distance) C4'-P energy: -10.601 bonds (distance) P-C4' energy: -15.333 flat angles C4'-P-C4' energy: -16.057 flat angles P-C4'-P energy: -10.290 tors. eta vs tors. theta energy: -5.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -173.256575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.256575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.256575 (E_RNA) where: Base-Base interactions energy: -109.458 where: short stacking energy: -50.020 Base-Backbone interact. energy: 0.185 local terms energy: -63.983392 where: bonds (distance) C4'-P energy: -13.902 bonds (distance) P-C4' energy: -14.753 flat angles C4'-P-C4' energy: -12.037 flat angles P-C4'-P energy: -11.721 tors. eta vs tors. theta energy: -11.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -91.111184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.111184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.111184 (E_RNA) where: Base-Base interactions energy: -37.567 where: short stacking energy: -29.503 Base-Backbone interact. energy: -0.112 local terms energy: -53.433069 where: bonds (distance) C4'-P energy: -13.374 bonds (distance) P-C4' energy: -11.669 flat angles C4'-P-C4' energy: -14.902 flat angles P-C4'-P energy: -7.048 tors. eta vs tors. theta energy: -6.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -76.303576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.303576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.303576 (E_RNA) where: Base-Base interactions energy: -33.793 where: short stacking energy: -25.306 Base-Backbone interact. energy: 1.300 local terms energy: -43.811368 where: bonds (distance) C4'-P energy: -10.693 bonds (distance) P-C4' energy: -17.087 flat angles C4'-P-C4' energy: -11.597 flat angles P-C4'-P energy: -2.979 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: 1, replica: 9 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -218.973316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.973316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.973316 (E_RNA) where: Base-Base interactions energy: -146.386 where: short stacking energy: -67.554 Base-Backbone interact. energy: -0.054 local terms energy: -72.532902 where: bonds (distance) C4'-P energy: -16.215 bonds (distance) P-C4' energy: -13.366 flat angles C4'-P-C4' energy: -14.895 flat angles P-C4'-P energy: -7.084 tors. eta vs tors. theta energy: -20.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -206.776738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.776738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.776738 (E_RNA) where: Base-Base interactions energy: -140.339 where: short stacking energy: -70.005 Base-Backbone interact. energy: -0.129 local terms energy: -66.308549 where: bonds (distance) C4'-P energy: -13.027 bonds (distance) P-C4' energy: -13.377 flat angles C4'-P-C4' energy: -14.117 flat angles P-C4'-P energy: -7.951 tors. eta vs tors. theta energy: -17.838 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: 6 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -191.901253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.901253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.901253 (E_RNA) where: Base-Base interactions energy: -121.486 where: short stacking energy: -57.004 Base-Backbone interact. energy: -0.013 local terms energy: -70.402023 where: bonds (distance) C4'-P energy: -15.417 bonds (distance) P-C4' energy: -14.677 flat angles C4'-P-C4' energy: -15.073 flat angles P-C4'-P energy: -7.454 tors. eta vs tors. theta energy: -17.781 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: 351 Temperature: 1.050000 Total energy: -167.744961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.744961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.744961 (E_RNA) where: Base-Base interactions energy: -108.410 where: short stacking energy: -45.558 Base-Backbone interact. energy: -0.103 local terms energy: -59.231645 where: bonds (distance) C4'-P energy: -11.653 bonds (distance) P-C4' energy: -17.309 flat angles C4'-P-C4' energy: -10.430 flat angles P-C4'-P energy: -10.929 tors. eta vs tors. theta energy: -8.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -191.754593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.754593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.754593 (E_RNA) where: Base-Base interactions energy: -128.960 where: short stacking energy: -57.335 Base-Backbone interact. energy: -0.175 local terms energy: -62.619146 where: bonds (distance) C4'-P energy: -14.605 bonds (distance) P-C4' energy: -12.852 flat angles C4'-P-C4' energy: -14.639 flat angles P-C4'-P energy: -4.905 tors. eta vs tors. theta energy: -15.618 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: 4 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -177.357277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.357277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.357277 (E_RNA) where: Base-Base interactions energy: -115.572 where: short stacking energy: -59.158 Base-Backbone interact. energy: -0.079 local terms energy: -61.706532 where: bonds (distance) C4'-P energy: -11.633 bonds (distance) P-C4' energy: -13.191 flat angles C4'-P-C4' energy: -13.090 flat angles P-C4'-P energy: -7.221 tors. eta vs tors. theta energy: -16.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -163.904396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.904396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.904396 (E_RNA) where: Base-Base interactions energy: -99.711 where: short stacking energy: -52.470 Base-Backbone interact. energy: 0.247 local terms energy: -64.439919 where: bonds (distance) C4'-P energy: -15.441 bonds (distance) P-C4' energy: -15.175 flat angles C4'-P-C4' energy: -12.229 flat angles P-C4'-P energy: -7.561 tors. eta vs tors. theta energy: -14.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -170.318741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.318741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.318741 (E_RNA) where: Base-Base interactions energy: -114.457 where: short stacking energy: -56.618 Base-Backbone interact. energy: -0.253 local terms energy: -55.608360 where: bonds (distance) C4'-P energy: -11.770 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -12.705 flat angles P-C4'-P energy: -7.681 tors. eta vs tors. theta energy: -16.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -85.368808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.368808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.368808 (E_RNA) where: Base-Base interactions energy: -36.134 where: short stacking energy: -30.241 Base-Backbone interact. energy: -1.166 local terms energy: -48.069109 where: bonds (distance) C4'-P energy: -14.936 bonds (distance) P-C4' energy: -9.877 flat angles C4'-P-C4' energy: -12.853 flat angles P-C4'-P energy: -10.430 tors. eta vs tors. theta energy: 0.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -76.059118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.059118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.059118 (E_RNA) where: Base-Base interactions energy: -28.283 where: short stacking energy: -25.653 Base-Backbone interact. energy: -0.179 local terms energy: -47.597196 where: bonds (distance) C4'-P energy: -11.467 bonds (distance) P-C4' energy: -14.814 flat angles C4'-P-C4' energy: -12.138 flat angles P-C4'-P energy: -5.881 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: 1, replica: 10 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -225.361636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.361636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.361636 (E_RNA) where: Base-Base interactions energy: -155.954 where: short stacking energy: -77.508 Base-Backbone interact. energy: -0.067 local terms energy: -69.339785 where: bonds (distance) C4'-P energy: -11.815 bonds (distance) P-C4' energy: -15.055 flat angles C4'-P-C4' energy: -14.619 flat angles P-C4'-P energy: -6.873 tors. eta vs tors. theta energy: -20.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -215.281232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.281232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.281232 (E_RNA) where: Base-Base interactions energy: -147.701 where: short stacking energy: -66.844 Base-Backbone interact. energy: -0.046 local terms energy: -67.534438 where: bonds (distance) C4'-P energy: -12.565 bonds (distance) P-C4' energy: -12.909 flat angles C4'-P-C4' energy: -13.459 flat angles P-C4'-P energy: -8.898 tors. eta vs tors. theta energy: -19.704 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: 352 Temperature: 1.000000 Total energy: -209.992835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.992835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.992835 (E_RNA) where: Base-Base interactions energy: -145.512 where: short stacking energy: -55.256 Base-Backbone interact. energy: -0.219 local terms energy: -64.261054 where: bonds (distance) C4'-P energy: -13.385 bonds (distance) P-C4' energy: -12.057 flat angles C4'-P-C4' energy: -14.205 flat angles P-C4'-P energy: -8.574 tors. eta vs tors. theta energy: -16.040 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: 7 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -177.774422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.774422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.774422 (E_RNA) where: Base-Base interactions energy: -111.213 where: short stacking energy: -50.814 Base-Backbone interact. energy: -0.084 local terms energy: -66.476849 where: bonds (distance) C4'-P energy: -11.464 bonds (distance) P-C4' energy: -13.374 flat angles C4'-P-C4' energy: -14.193 flat angles P-C4'-P energy: -10.801 tors. eta vs tors. theta energy: -16.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -188.413178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.413178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.413178 (E_RNA) where: Base-Base interactions energy: -122.585 where: short stacking energy: -63.404 Base-Backbone interact. energy: -0.011 local terms energy: -65.818058 where: bonds (distance) C4'-P energy: -12.100 bonds (distance) P-C4' energy: -11.366 flat angles C4'-P-C4' energy: -15.714 flat angles P-C4'-P energy: -8.550 tors. eta vs tors. theta energy: -18.088 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: 4 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -179.512282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.512282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.512282 (E_RNA) where: Base-Base interactions energy: -117.707 where: short stacking energy: -47.241 Base-Backbone interact. energy: 0.542 local terms energy: -62.346445 where: bonds (distance) C4'-P energy: -13.541 bonds (distance) P-C4' energy: -15.041 flat angles C4'-P-C4' energy: -12.836 flat angles P-C4'-P energy: -6.572 tors. eta vs tors. theta energy: -14.357 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: 7, replica: 8 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -160.684403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.684403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.684403 (E_RNA) where: Base-Base interactions energy: -105.930 where: short stacking energy: -41.063 Base-Backbone interact. energy: -0.238 local terms energy: -54.516548 where: bonds (distance) C4'-P energy: -10.556 bonds (distance) P-C4' energy: -10.829 flat angles C4'-P-C4' energy: -14.199 flat angles P-C4'-P energy: -10.383 tors. eta vs tors. theta energy: -8.550 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: 5 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -151.727095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.727095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.727095 (E_RNA) where: Base-Base interactions energy: -101.013 where: short stacking energy: -46.778 Base-Backbone interact. energy: -0.375 local terms energy: -50.339592 where: bonds (distance) C4'-P energy: -13.467 bonds (distance) P-C4' energy: -10.389 flat angles C4'-P-C4' energy: -13.620 flat angles P-C4'-P energy: -5.591 tors. eta vs tors. theta energy: -7.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -83.619929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.619929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.619929 (E_RNA) where: Base-Base interactions energy: -31.800 where: short stacking energy: -31.800 Base-Backbone interact. energy: -0.110 local terms energy: -51.709347 where: bonds (distance) C4'-P energy: -12.879 bonds (distance) P-C4' energy: -14.424 flat angles C4'-P-C4' energy: -12.546 flat angles P-C4'-P energy: -8.193 tors. eta vs tors. theta energy: -3.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -70.893563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.893563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.893563 (E_RNA) where: Base-Base interactions energy: -28.416 where: short stacking energy: -28.416 Base-Backbone interact. energy: -0.493 local terms energy: -41.984871 where: bonds (distance) C4'-P energy: -13.797 bonds (distance) P-C4' energy: -16.156 flat angles C4'-P-C4' energy: -6.768 flat angles P-C4'-P energy: -3.896 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: 10 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -220.097410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.097410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.097410 (E_RNA) where: Base-Base interactions energy: -142.115 where: short stacking energy: -70.120 Base-Backbone interact. energy: -0.003 local terms energy: -77.979508 where: bonds (distance) C4'-P energy: -15.528 bonds (distance) P-C4' energy: -15.502 flat angles C4'-P-C4' energy: -14.882 flat angles P-C4'-P energy: -11.193 tors. eta vs tors. theta energy: -20.874 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: 6 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -206.408920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.408920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.408920 (E_RNA) where: Base-Base interactions energy: -149.416 where: short stacking energy: -53.945 Base-Backbone interact. energy: -0.405 local terms energy: -56.588357 where: bonds (distance) C4'-P energy: -14.717 bonds (distance) P-C4' energy: -11.567 flat angles C4'-P-C4' energy: -10.393 flat angles P-C4'-P energy: -4.728 tors. eta vs tors. theta energy: -15.183 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: 9 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -204.236338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.236338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.236338 (E_RNA) where: Base-Base interactions energy: -130.672 where: short stacking energy: -60.086 Base-Backbone interact. energy: -0.589 local terms energy: -72.974933 where: bonds (distance) C4'-P energy: -15.292 bonds (distance) P-C4' energy: -13.582 flat angles C4'-P-C4' energy: -15.533 flat angles P-C4'-P energy: -9.740 tors. eta vs tors. theta energy: -18.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -198.756495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.756495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.756495 (E_RNA) where: Base-Base interactions energy: -127.587 where: short stacking energy: -58.294 Base-Backbone interact. energy: -0.002 local terms energy: -71.167540 where: bonds (distance) C4'-P energy: -14.084 bonds (distance) P-C4' energy: -13.845 flat angles C4'-P-C4' energy: -15.238 flat angles P-C4'-P energy: -10.928 tors. eta vs tors. theta energy: -17.073 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: 7 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -188.796022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.796022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.796022 (E_RNA) where: Base-Base interactions energy: -123.036 where: short stacking energy: -45.829 Base-Backbone interact. energy: -0.709 local terms energy: -65.051254 where: bonds (distance) C4'-P energy: -14.320 bonds (distance) P-C4' energy: -17.116 flat angles C4'-P-C4' energy: -13.099 flat angles P-C4'-P energy: -8.103 tors. eta vs tors. theta energy: -12.413 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: 8 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -157.051227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.051227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.051227 (E_RNA) where: Base-Base interactions energy: -95.682 where: short stacking energy: -50.031 Base-Backbone interact. energy: -0.886 local terms energy: -60.482638 where: bonds (distance) C4'-P energy: -12.166 bonds (distance) P-C4' energy: -13.615 flat angles C4'-P-C4' energy: -14.282 flat angles P-C4'-P energy: -10.785 tors. eta vs tors. theta energy: -9.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -172.145850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.145850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.145850 (E_RNA) where: Base-Base interactions energy: -118.427 where: short stacking energy: -53.683 Base-Backbone interact. energy: -0.492 local terms energy: -53.227055 where: bonds (distance) C4'-P energy: -12.424 bonds (distance) P-C4' energy: -12.878 flat angles C4'-P-C4' energy: -12.921 flat angles P-C4'-P energy: -5.102 tors. eta vs tors. theta energy: -9.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -87.519418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.519418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.519418 (E_RNA) where: Base-Base interactions energy: -37.027 where: short stacking energy: -37.027 Base-Backbone interact. energy: 0.249 local terms energy: -50.740653 where: bonds (distance) C4'-P energy: -10.924 bonds (distance) P-C4' energy: -13.214 flat angles C4'-P-C4' energy: -14.013 flat angles P-C4'-P energy: -5.100 tors. eta vs tors. theta energy: -7.490 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: 5 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -153.357838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.357838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.357838 (E_RNA) where: Base-Base interactions energy: -95.906 where: short stacking energy: -40.021 Base-Backbone interact. energy: -0.082 local terms energy: -57.369755 where: bonds (distance) C4'-P energy: -13.814 bonds (distance) P-C4' energy: -13.543 flat angles C4'-P-C4' energy: -14.253 flat angles P-C4'-P energy: -9.225 tors. eta vs tors. theta energy: -6.534 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: 1 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -78.095317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.095317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.095317 (E_RNA) where: Base-Base interactions energy: -29.005 where: short stacking energy: -29.005 Base-Backbone interact. energy: -0.080 local terms energy: -49.009910 where: bonds (distance) C4'-P energy: -11.491 bonds (distance) P-C4' energy: -15.621 flat angles C4'-P-C4' energy: -14.070 flat angles P-C4'-P energy: -3.300 tors. eta vs tors. theta energy: -4.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -219.038967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.038967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.038967 (E_RNA) where: Base-Base interactions energy: -144.597 where: short stacking energy: -68.380 Base-Backbone interact. energy: -0.000 local terms energy: -74.441682 where: bonds (distance) C4'-P energy: -11.428 bonds (distance) P-C4' energy: -13.883 flat angles C4'-P-C4' energy: -16.600 flat angles P-C4'-P energy: -11.670 tors. eta vs tors. theta energy: -20.860 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: 6 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -210.362262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.362262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.362262 (E_RNA) where: Base-Base interactions energy: -140.889 where: short stacking energy: -63.678 Base-Backbone interact. energy: -0.108 local terms energy: -69.365926 where: bonds (distance) C4'-P energy: -14.022 bonds (distance) P-C4' energy: -16.153 flat angles C4'-P-C4' energy: -13.377 flat angles P-C4'-P energy: -6.082 tors. eta vs tors. theta energy: -19.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -191.162479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.162479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.162479 (E_RNA) where: Base-Base interactions energy: -124.445 where: short stacking energy: -52.627 Base-Backbone interact. energy: -0.291 local terms energy: -66.425940 where: bonds (distance) C4'-P energy: -12.999 bonds (distance) P-C4' energy: -11.705 flat angles C4'-P-C4' energy: -13.570 flat angles P-C4'-P energy: -12.147 tors. eta vs tors. theta energy: -16.005 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: 9 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -194.050869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.050869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.050869 (E_RNA) where: Base-Base interactions energy: -133.282 where: short stacking energy: -58.964 Base-Backbone interact. energy: -0.173 local terms energy: -60.595948 where: bonds (distance) C4'-P energy: -10.764 bonds (distance) P-C4' energy: -11.965 flat angles C4'-P-C4' energy: -15.873 flat angles P-C4'-P energy: -7.968 tors. eta vs tors. theta energy: -14.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -181.382530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.382530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.382530 (E_RNA) where: Base-Base interactions energy: -121.875 where: short stacking energy: -50.849 Base-Backbone interact. energy: 0.217 local terms energy: -59.724820 where: bonds (distance) C4'-P energy: -11.669 bonds (distance) P-C4' energy: -12.506 flat angles C4'-P-C4' energy: -14.600 flat angles P-C4'-P energy: -8.413 tors. eta vs tors. theta energy: -12.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -184.451956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.451956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.451956 (E_RNA) where: Base-Base interactions energy: -131.696 where: short stacking energy: -51.786 Base-Backbone interact. energy: -0.002 local terms energy: -52.753726 where: bonds (distance) C4'-P energy: -10.576 bonds (distance) P-C4' energy: -14.578 flat angles C4'-P-C4' energy: -8.796 flat angles P-C4'-P energy: -9.374 tors. eta vs tors. theta energy: -9.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -174.959871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.959871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.959871 (E_RNA) where: Base-Base interactions energy: -119.950 where: short stacking energy: -56.243 Base-Backbone interact. energy: -0.288 local terms energy: -54.722229 where: bonds (distance) C4'-P energy: -5.911 bonds (distance) P-C4' energy: -13.860 flat angles C4'-P-C4' energy: -10.142 flat angles P-C4'-P energy: -7.845 tors. eta vs tors. theta energy: -16.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -99.569536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.569536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.569536 (E_RNA) where: Base-Base interactions energy: -50.362 where: short stacking energy: -26.658 Base-Backbone interact. energy: -0.257 local terms energy: -48.950510 where: bonds (distance) C4'-P energy: -13.144 bonds (distance) P-C4' energy: -12.236 flat angles C4'-P-C4' energy: -12.090 flat angles P-C4'-P energy: -10.647 tors. eta vs tors. theta energy: -0.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -126.155438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.155438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.155438 (E_RNA) where: Base-Base interactions energy: -67.870 where: short stacking energy: -34.640 Base-Backbone interact. energy: -0.314 local terms energy: -57.971589 where: bonds (distance) C4'-P energy: -15.094 bonds (distance) P-C4' energy: -17.362 flat angles C4'-P-C4' energy: -10.152 flat angles P-C4'-P energy: -11.978 tors. eta vs tors. theta energy: -3.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -74.211490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.211490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.211490 (E_RNA) where: Base-Base interactions energy: -27.137 where: short stacking energy: -27.137 Base-Backbone interact. energy: 0.359 local terms energy: -47.432988 where: bonds (distance) C4'-P energy: -13.807 bonds (distance) P-C4' energy: -13.292 flat angles C4'-P-C4' energy: -13.094 flat angles P-C4'-P energy: -2.535 tors. eta vs tors. theta energy: -4.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -214.625475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.625475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.625475 (E_RNA) where: Base-Base interactions energy: -143.461 where: short stacking energy: -71.369 Base-Backbone interact. energy: -0.375 local terms energy: -70.789592 where: bonds (distance) C4'-P energy: -14.988 bonds (distance) P-C4' energy: -14.193 flat angles C4'-P-C4' energy: -15.338 flat angles P-C4'-P energy: -4.556 tors. eta vs tors. theta energy: -21.715 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: 2 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -209.396738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.396738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.396738 (E_RNA) where: Base-Base interactions energy: -145.082 where: short stacking energy: -63.685 Base-Backbone interact. energy: -0.003 local terms energy: -64.311823 where: bonds (distance) C4'-P energy: -15.486 bonds (distance) P-C4' energy: -14.751 flat angles C4'-P-C4' energy: -13.742 flat angles P-C4'-P energy: -2.044 tors. eta vs tors. theta energy: -18.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -208.316903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.316903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.316903 (E_RNA) where: Base-Base interactions energy: -136.438 where: short stacking energy: -66.378 Base-Backbone interact. energy: -0.007 local terms energy: -71.871542 where: bonds (distance) C4'-P energy: -16.936 bonds (distance) P-C4' energy: -14.753 flat angles C4'-P-C4' energy: -12.617 flat angles P-C4'-P energy: -9.473 tors. eta vs tors. theta energy: -18.092 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: 4, replica: 8 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -197.273198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.273198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.273198 (E_RNA) where: Base-Base interactions energy: -129.876 where: short stacking energy: -59.328 Base-Backbone interact. energy: -0.001 local terms energy: -67.396000 where: bonds (distance) C4'-P energy: -11.488 bonds (distance) P-C4' energy: -14.846 flat angles C4'-P-C4' energy: -15.224 flat angles P-C4'-P energy: -10.588 tors. eta vs tors. theta energy: -15.250 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: 9 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -184.904611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.904611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.904611 (E_RNA) where: Base-Base interactions energy: -123.800 where: short stacking energy: -50.984 Base-Backbone interact. energy: -0.119 local terms energy: -60.985189 where: bonds (distance) C4'-P energy: -13.835 bonds (distance) P-C4' energy: -8.811 flat angles C4'-P-C4' energy: -12.383 flat angles P-C4'-P energy: -11.594 tors. eta vs tors. theta energy: -14.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -190.497136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.497136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.497136 (E_RNA) where: Base-Base interactions energy: -125.101 where: short stacking energy: -51.988 Base-Backbone interact. energy: -0.043 local terms energy: -65.353561 where: bonds (distance) C4'-P energy: -15.610 bonds (distance) P-C4' energy: -15.356 flat angles C4'-P-C4' energy: -10.657 flat angles P-C4'-P energy: -6.838 tors. eta vs tors. theta energy: -16.893 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: 7 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -175.895739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.895739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.895739 (E_RNA) where: Base-Base interactions energy: -112.665 where: short stacking energy: -55.784 Base-Backbone interact. energy: -0.184 local terms energy: -63.046743 where: bonds (distance) C4'-P energy: -9.555 bonds (distance) P-C4' energy: -15.562 flat angles C4'-P-C4' energy: -15.275 flat angles P-C4'-P energy: -8.262 tors. eta vs tors. theta energy: -14.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -87.537450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.537450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.537450 (E_RNA) where: Base-Base interactions energy: -33.683 where: short stacking energy: -29.609 Base-Backbone interact. energy: 0.280 local terms energy: -54.134518 where: bonds (distance) C4'-P energy: -11.691 bonds (distance) P-C4' energy: -16.901 flat angles C4'-P-C4' energy: -9.881 flat angles P-C4'-P energy: -12.034 tors. eta vs tors. theta energy: -3.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -82.887141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.887141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.887141 (E_RNA) where: Base-Base interactions energy: -35.426 where: short stacking energy: -32.234 Base-Backbone interact. energy: 0.560 local terms energy: -48.021614 where: bonds (distance) C4'-P energy: -13.198 bonds (distance) P-C4' energy: -14.719 flat angles C4'-P-C4' energy: -11.700 flat angles P-C4'-P energy: -4.780 tors. eta vs tors. theta energy: -3.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -75.358342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.358342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.358342 (E_RNA) where: Base-Base interactions energy: -34.108 where: short stacking energy: -34.108 Base-Backbone interact. energy: 0.040 local terms energy: -41.290587 where: bonds (distance) C4'-P energy: -10.779 bonds (distance) P-C4' energy: -7.552 flat angles C4'-P-C4' energy: -12.868 flat angles P-C4'-P energy: -6.929 tors. eta vs tors. theta energy: -3.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -202.523319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.523319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.523319 (E_RNA) where: Base-Base interactions energy: -127.470 where: short stacking energy: -67.303 Base-Backbone interact. energy: -0.018 local terms energy: -75.034825 where: bonds (distance) C4'-P energy: -12.758 bonds (distance) P-C4' energy: -14.582 flat angles C4'-P-C4' energy: -16.495 flat angles P-C4'-P energy: -10.840 tors. eta vs tors. theta energy: -20.359 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: 10 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -215.224969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.224969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.224969 (E_RNA) where: Base-Base interactions energy: -137.557 where: short stacking energy: -64.347 Base-Backbone interact. energy: -0.111 local terms energy: -77.556222 where: bonds (distance) C4'-P energy: -15.032 bonds (distance) P-C4' energy: -16.564 flat angles C4'-P-C4' energy: -15.627 flat angles P-C4'-P energy: -11.508 tors. eta vs tors. theta energy: -18.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -196.700125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.700125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.700125 (E_RNA) where: Base-Base interactions energy: -134.476 where: short stacking energy: -58.921 Base-Backbone interact. energy: -0.017 local terms energy: -62.207249 where: bonds (distance) C4'-P energy: -12.366 bonds (distance) P-C4' energy: -14.339 flat angles C4'-P-C4' energy: -12.321 flat angles P-C4'-P energy: -8.398 tors. eta vs tors. theta energy: -14.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -188.624208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.624208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.624208 (E_RNA) where: Base-Base interactions energy: -127.735 where: short stacking energy: -50.159 Base-Backbone interact. energy: -0.019 local terms energy: -60.870706 where: bonds (distance) C4'-P energy: -16.062 bonds (distance) P-C4' energy: -11.094 flat angles C4'-P-C4' energy: -10.201 flat angles P-C4'-P energy: -7.809 tors. eta vs tors. theta energy: -15.705 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: 356 Temperature: 1.100000 Total energy: -188.204578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.204578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.204578 (E_RNA) where: Base-Base interactions energy: -123.743 where: short stacking energy: -51.945 Base-Backbone interact. energy: -0.044 local terms energy: -64.417600 where: bonds (distance) C4'-P energy: -12.335 bonds (distance) P-C4' energy: -15.642 flat angles C4'-P-C4' energy: -11.986 flat angles P-C4'-P energy: -10.635 tors. eta vs tors. theta energy: -13.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -172.509548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.509548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.509548 (E_RNA) where: Base-Base interactions energy: -115.821 where: short stacking energy: -53.865 Base-Backbone interact. energy: 0.286 local terms energy: -56.974550 where: bonds (distance) C4'-P energy: -11.066 bonds (distance) P-C4' energy: -12.172 flat angles C4'-P-C4' energy: -13.325 flat angles P-C4'-P energy: -10.079 tors. eta vs tors. theta energy: -10.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -171.418897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.418897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.418897 (E_RNA) where: Base-Base interactions energy: -114.427 where: short stacking energy: -49.367 Base-Backbone interact. energy: -0.098 local terms energy: -56.893723 where: bonds (distance) C4'-P energy: -11.255 bonds (distance) P-C4' energy: -10.777 flat angles C4'-P-C4' energy: -13.361 flat angles P-C4'-P energy: -9.784 tors. eta vs tors. theta energy: -11.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -88.163260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.163260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.163260 (E_RNA) where: Base-Base interactions energy: -43.134 where: short stacking energy: -20.327 Base-Backbone interact. energy: 0.368 local terms energy: -45.397643 where: bonds (distance) C4'-P energy: -13.408 bonds (distance) P-C4' energy: -9.816 flat angles C4'-P-C4' energy: -13.137 flat angles P-C4'-P energy: -7.642 tors. eta vs tors. theta energy: -1.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -81.879779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.879779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.879779 (E_RNA) where: Base-Base interactions energy: -32.067 where: short stacking energy: -30.185 Base-Backbone interact. energy: -0.142 local terms energy: -49.670829 where: bonds (distance) C4'-P energy: -12.308 bonds (distance) P-C4' energy: -11.787 flat angles C4'-P-C4' energy: -12.364 flat angles P-C4'-P energy: -7.660 tors. eta vs tors. theta energy: -5.552 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: 3 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -73.218926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.218926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.218926 (E_RNA) where: Base-Base interactions energy: -28.964 where: short stacking energy: -27.161 Base-Backbone interact. energy: 0.074 local terms energy: -44.329017 where: bonds (distance) C4'-P energy: -8.668 bonds (distance) P-C4' energy: -12.051 flat angles C4'-P-C4' energy: -13.614 flat angles P-C4'-P energy: -9.476 tors. eta vs tors. theta energy: -0.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -213.998806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.998806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.998806 (E_RNA) where: Base-Base interactions energy: -136.297 where: short stacking energy: -64.254 Base-Backbone interact. energy: -0.001 local terms energy: -77.701319 where: bonds (distance) C4'-P energy: -14.961 bonds (distance) P-C4' energy: -16.956 flat angles C4'-P-C4' energy: -17.197 flat angles P-C4'-P energy: -6.459 tors. eta vs tors. theta energy: -22.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -206.165927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.165927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.165927 (E_RNA) where: Base-Base interactions energy: -133.040 where: short stacking energy: -63.996 Base-Backbone interact. energy: -0.294 local terms energy: -72.832078 where: bonds (distance) C4'-P energy: -14.324 bonds (distance) P-C4' energy: -15.924 flat angles C4'-P-C4' energy: -16.368 flat angles P-C4'-P energy: -7.812 tors. eta vs tors. theta energy: -18.403 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: 10 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -214.189984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.189984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.189984 (E_RNA) where: Base-Base interactions energy: -145.440 where: short stacking energy: -65.115 Base-Backbone interact. energy: -0.671 local terms energy: -68.078919 where: bonds (distance) C4'-P energy: -13.350 bonds (distance) P-C4' energy: -15.498 flat angles C4'-P-C4' energy: -11.058 flat angles P-C4'-P energy: -10.237 tors. eta vs tors. theta energy: -17.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -196.935811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.935811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.935811 (E_RNA) where: Base-Base interactions energy: -134.838 where: short stacking energy: -55.861 Base-Backbone interact. energy: -0.035 local terms energy: -62.062501 where: bonds (distance) C4'-P energy: -13.749 bonds (distance) P-C4' energy: -15.330 flat angles C4'-P-C4' energy: -10.513 flat angles P-C4'-P energy: -10.095 tors. eta vs tors. theta energy: -12.376 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: 9 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -186.535776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.535776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.535776 (E_RNA) where: Base-Base interactions energy: -137.533 where: short stacking energy: -57.141 Base-Backbone interact. energy: -0.079 local terms energy: -48.923257 where: bonds (distance) C4'-P energy: -9.375 bonds (distance) P-C4' energy: -7.632 flat angles C4'-P-C4' energy: -13.819 flat angles P-C4'-P energy: -4.250 tors. eta vs tors. theta energy: -13.847 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: 7 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -173.663214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.663214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.663214 (E_RNA) where: Base-Base interactions energy: -113.430 where: short stacking energy: -52.446 Base-Backbone interact. energy: -0.104 local terms energy: -60.128595 where: bonds (distance) C4'-P energy: -10.896 bonds (distance) P-C4' energy: -15.570 flat angles C4'-P-C4' energy: -13.445 flat angles P-C4'-P energy: -5.350 tors. eta vs tors. theta energy: -14.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -178.583903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.583903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.583903 (E_RNA) where: Base-Base interactions energy: -124.920 where: short stacking energy: -46.422 Base-Backbone interact. energy: -0.101 local terms energy: -53.562660 where: bonds (distance) C4'-P energy: -8.747 bonds (distance) P-C4' energy: -11.088 flat angles C4'-P-C4' energy: -15.144 flat angles P-C4'-P energy: -6.812 tors. eta vs tors. theta energy: -11.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -91.047200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.047200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.047200 (E_RNA) where: Base-Base interactions energy: -44.953 where: short stacking energy: -25.174 Base-Backbone interact. energy: -0.007 local terms energy: -46.086920 where: bonds (distance) C4'-P energy: -16.559 bonds (distance) P-C4' energy: -13.667 flat angles C4'-P-C4' energy: -7.085 flat angles P-C4'-P energy: -5.223 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: 9, replica: 5 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -130.658237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.658237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.658237 (E_RNA) where: Base-Base interactions energy: -79.966 where: short stacking energy: -44.400 Base-Backbone interact. energy: -0.062 local terms energy: -50.630173 where: bonds (distance) C4'-P energy: -13.462 bonds (distance) P-C4' energy: -15.769 flat angles C4'-P-C4' energy: -12.549 flat angles P-C4'-P energy: -3.604 tors. eta vs tors. theta energy: -5.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -80.796241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.796241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.796241 (E_RNA) where: Base-Base interactions energy: -26.378 where: short stacking energy: -26.378 Base-Backbone interact. energy: 0.451 local terms energy: -54.868486 where: bonds (distance) C4'-P energy: -11.344 bonds (distance) P-C4' energy: -16.544 flat angles C4'-P-C4' energy: -14.593 flat angles P-C4'-P energy: -11.983 tors. eta vs tors. theta energy: -0.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -213.773156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.773156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.773156 (E_RNA) where: Base-Base interactions energy: -145.289 where: short stacking energy: -70.616 Base-Backbone interact. energy: -0.076 local terms energy: -68.407927 where: bonds (distance) C4'-P energy: -13.455 bonds (distance) P-C4' energy: -17.317 flat angles C4'-P-C4' energy: -12.879 flat angles P-C4'-P energy: -7.409 tors. eta vs tors. theta energy: -17.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -210.475762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.475762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.475762 (E_RNA) where: Base-Base interactions energy: -145.296 where: short stacking energy: -67.266 Base-Backbone interact. energy: -0.180 local terms energy: -64.999941 where: bonds (distance) C4'-P energy: -14.242 bonds (distance) P-C4' energy: -14.046 flat angles C4'-P-C4' energy: -9.230 flat angles P-C4'-P energy: -8.825 tors. eta vs tors. theta energy: -18.656 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: 3, replica: 6 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -198.310959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.310959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.310959 (E_RNA) where: Base-Base interactions energy: -133.981 where: short stacking energy: -56.190 Base-Backbone interact. energy: -0.018 local terms energy: -64.312101 where: bonds (distance) C4'-P energy: -16.258 bonds (distance) P-C4' energy: -10.454 flat angles C4'-P-C4' energy: -14.430 flat angles P-C4'-P energy: -3.383 tors. eta vs tors. theta energy: -19.787 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: 10 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -214.323712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.323712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.323712 (E_RNA) where: Base-Base interactions energy: -140.276 where: short stacking energy: -65.585 Base-Backbone interact. energy: -0.001 local terms energy: -74.047148 where: bonds (distance) C4'-P energy: -13.884 bonds (distance) P-C4' energy: -15.885 flat angles C4'-P-C4' energy: -14.445 flat angles P-C4'-P energy: -10.253 tors. eta vs tors. theta energy: -19.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -190.424899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.424899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.424899 (E_RNA) where: Base-Base interactions energy: -131.577 where: short stacking energy: -54.159 Base-Backbone interact. energy: -0.145 local terms energy: -58.702795 where: bonds (distance) C4'-P energy: -15.947 bonds (distance) P-C4' energy: -9.332 flat angles C4'-P-C4' energy: -12.803 flat angles P-C4'-P energy: -4.494 tors. eta vs tors. theta energy: -16.126 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: 7 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -170.304603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.304603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.304603 (E_RNA) where: Base-Base interactions energy: -108.360 where: short stacking energy: -53.708 Base-Backbone interact. energy: -0.022 local terms energy: -61.923130 where: bonds (distance) C4'-P energy: -11.787 bonds (distance) P-C4' energy: -14.710 flat angles C4'-P-C4' energy: -12.287 flat angles P-C4'-P energy: -7.104 tors. eta vs tors. theta energy: -16.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -174.150240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.150240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.150240 (E_RNA) where: Base-Base interactions energy: -119.390 where: short stacking energy: -46.521 Base-Backbone interact. energy: -0.439 local terms energy: -54.321660 where: bonds (distance) C4'-P energy: -14.088 bonds (distance) P-C4' energy: -13.376 flat angles C4'-P-C4' energy: -11.669 flat angles P-C4'-P energy: -7.071 tors. eta vs tors. theta energy: -8.118 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: 1 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -87.848459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.848459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.848459 (E_RNA) where: Base-Base interactions energy: -46.264 where: short stacking energy: -35.401 Base-Backbone interact. energy: -0.283 local terms energy: -41.301545 where: bonds (distance) C4'-P energy: -7.233 bonds (distance) P-C4' energy: -14.656 flat angles C4'-P-C4' energy: -9.406 flat angles P-C4'-P energy: -6.988 tors. eta vs tors. theta energy: -3.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -117.367461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.367461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.367461 (E_RNA) where: Base-Base interactions energy: -71.493 where: short stacking energy: -30.932 Base-Backbone interact. energy: 0.482 local terms energy: -46.357185 where: bonds (distance) C4'-P energy: -7.641 bonds (distance) P-C4' energy: -14.859 flat angles C4'-P-C4' energy: -10.131 flat angles P-C4'-P energy: -9.542 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: 10, replica: 5 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -74.830283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.830283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.830283 (E_RNA) where: Base-Base interactions energy: -28.094 where: short stacking energy: -28.094 Base-Backbone interact. energy: 2.714 local terms energy: -49.450463 where: bonds (distance) C4'-P energy: -9.483 bonds (distance) P-C4' energy: -13.211 flat angles C4'-P-C4' energy: -15.465 flat angles P-C4'-P energy: -9.859 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: 1, replica: 8 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -212.902771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.902771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.902771 (E_RNA) where: Base-Base interactions energy: -139.480 where: short stacking energy: -64.741 Base-Backbone interact. energy: -0.136 local terms energy: -73.286961 where: bonds (distance) C4'-P energy: -16.037 bonds (distance) P-C4' energy: -15.787 flat angles C4'-P-C4' energy: -14.812 flat angles P-C4'-P energy: -8.127 tors. eta vs tors. theta energy: -18.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -210.549074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.549074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.549074 (E_RNA) where: Base-Base interactions energy: -137.405 where: short stacking energy: -59.972 Base-Backbone interact. energy: -0.330 local terms energy: -72.814819 where: bonds (distance) C4'-P energy: -10.750 bonds (distance) P-C4' energy: -16.374 flat angles C4'-P-C4' energy: -16.641 flat angles P-C4'-P energy: -10.956 tors. eta vs tors. theta energy: -18.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -199.456507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.456507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.456507 (E_RNA) where: Base-Base interactions energy: -138.232 where: short stacking energy: -62.326 Base-Backbone interact. energy: 1.301 local terms energy: -62.525645 where: bonds (distance) C4'-P energy: -14.348 bonds (distance) P-C4' energy: -13.184 flat angles C4'-P-C4' energy: -12.757 flat angles P-C4'-P energy: -8.746 tors. eta vs tors. theta energy: -13.491 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: 10 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -211.393402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.393402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.393402 (E_RNA) where: Base-Base interactions energy: -144.036 where: short stacking energy: -74.398 Base-Backbone interact. energy: -0.004 local terms energy: -67.353348 where: bonds (distance) C4'-P energy: -12.564 bonds (distance) P-C4' energy: -11.227 flat angles C4'-P-C4' energy: -15.859 flat angles P-C4'-P energy: -9.828 tors. eta vs tors. theta energy: -17.876 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: 5, replica: 9 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -206.530645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.530645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.530645 (E_RNA) where: Base-Base interactions energy: -139.089 where: short stacking energy: -56.397 Base-Backbone interact. energy: -0.090 local terms energy: -67.352338 where: bonds (distance) C4'-P energy: -11.926 bonds (distance) P-C4' energy: -12.771 flat angles C4'-P-C4' energy: -15.245 flat angles P-C4'-P energy: -11.945 tors. eta vs tors. theta energy: -15.466 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: 4 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -184.408480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.408480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.408480 (E_RNA) where: Base-Base interactions energy: -130.185 where: short stacking energy: -65.877 Base-Backbone interact. energy: -0.051 local terms energy: -54.172162 where: bonds (distance) C4'-P energy: -6.840 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -12.624 flat angles P-C4'-P energy: -8.862 tors. eta vs tors. theta energy: -18.104 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: 7 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -166.808353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.808353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.808353 (E_RNA) where: Base-Base interactions energy: -106.782 where: short stacking energy: -52.314 Base-Backbone interact. energy: -0.032 local terms energy: -59.994586 where: bonds (distance) C4'-P energy: -12.900 bonds (distance) P-C4' energy: -16.048 flat angles C4'-P-C4' energy: -10.613 flat angles P-C4'-P energy: -10.396 tors. eta vs tors. theta energy: -10.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -99.153325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.153325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.153325 (E_RNA) where: Base-Base interactions energy: -51.417 where: short stacking energy: -34.579 Base-Backbone interact. energy: -0.630 local terms energy: -47.106093 where: bonds (distance) C4'-P energy: -11.600 bonds (distance) P-C4' energy: -13.558 flat angles C4'-P-C4' energy: -8.351 flat angles P-C4'-P energy: -11.609 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: 9, replica: 1 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -94.486759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.486759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.486759 (E_RNA) where: Base-Base interactions energy: -44.926 where: short stacking energy: -44.926 Base-Backbone interact. energy: -0.001 local terms energy: -49.560046 where: bonds (distance) C4'-P energy: -11.422 bonds (distance) P-C4' energy: -12.162 flat angles C4'-P-C4' energy: -11.261 flat angles P-C4'-P energy: -5.404 tors. eta vs tors. theta energy: -9.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -87.135978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.135978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.135978 (E_RNA) where: Base-Base interactions energy: -37.796 where: short stacking energy: -37.319 Base-Backbone interact. energy: -0.042 local terms energy: -49.297246 where: bonds (distance) C4'-P energy: -10.085 bonds (distance) P-C4' energy: -10.050 flat angles C4'-P-C4' energy: -14.314 flat angles P-C4'-P energy: -4.497 tors. eta vs tors. theta energy: -10.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -211.554763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.554763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.554763 (E_RNA) where: Base-Base interactions energy: -144.479 where: short stacking energy: -70.713 Base-Backbone interact. energy: -0.041 local terms energy: -67.034543 where: bonds (distance) C4'-P energy: -15.102 bonds (distance) P-C4' energy: -17.724 flat angles C4'-P-C4' energy: -12.021 flat angles P-C4'-P energy: -6.970 tors. eta vs tors. theta energy: -15.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -205.399713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.399713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.399713 (E_RNA) where: Base-Base interactions energy: -138.106 where: short stacking energy: -54.728 Base-Backbone interact. energy: -0.301 local terms energy: -66.992843 where: bonds (distance) C4'-P energy: -14.102 bonds (distance) P-C4' energy: -13.452 flat angles C4'-P-C4' energy: -12.768 flat angles P-C4'-P energy: -11.389 tors. eta vs tors. theta energy: -15.282 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: 10 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -192.892678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.892678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.892678 (E_RNA) where: Base-Base interactions energy: -123.344 where: short stacking energy: -64.390 Base-Backbone interact. energy: -0.082 local terms energy: -69.466502 where: bonds (distance) C4'-P energy: -15.424 bonds (distance) P-C4' energy: -13.030 flat angles C4'-P-C4' energy: -14.058 flat angles P-C4'-P energy: -5.648 tors. eta vs tors. theta energy: -21.307 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: 4, replica: 2 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -192.585932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.585932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.585932 (E_RNA) where: Base-Base interactions energy: -124.245 where: short stacking energy: -59.095 Base-Backbone interact. energy: -0.001 local terms energy: -68.339144 where: bonds (distance) C4'-P energy: -12.523 bonds (distance) P-C4' energy: -15.283 flat angles C4'-P-C4' energy: -15.609 flat angles P-C4'-P energy: -9.750 tors. eta vs tors. theta energy: -15.174 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: 9 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -185.021819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.021819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.021819 (E_RNA) where: Base-Base interactions energy: -132.736 where: short stacking energy: -55.699 Base-Backbone interact. energy: -0.246 local terms energy: -52.039410 where: bonds (distance) C4'-P energy: -15.432 bonds (distance) P-C4' energy: -7.004 flat angles C4'-P-C4' energy: -10.973 flat angles P-C4'-P energy: -7.782 tors. eta vs tors. theta energy: -10.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -175.557115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.557115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.557115 (E_RNA) where: Base-Base interactions energy: -119.842 where: short stacking energy: -55.567 Base-Backbone interact. energy: -0.007 local terms energy: -55.708002 where: bonds (distance) C4'-P energy: -11.339 bonds (distance) P-C4' energy: -12.020 flat angles C4'-P-C4' energy: -11.618 flat angles P-C4'-P energy: -6.782 tors. eta vs tors. theta energy: -13.949 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: 7 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -174.296056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.296056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.296056 (E_RNA) where: Base-Base interactions energy: -113.413 where: short stacking energy: -38.552 Base-Backbone interact. energy: -0.108 local terms energy: -60.775066 where: bonds (distance) C4'-P energy: -11.141 bonds (distance) P-C4' energy: -13.337 flat angles C4'-P-C4' energy: -15.338 flat angles P-C4'-P energy: -10.328 tors. eta vs tors. theta energy: -10.630 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: 3 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -101.916519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.916519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.916519 (E_RNA) where: Base-Base interactions energy: -45.621 where: short stacking energy: -34.781 Base-Backbone interact. energy: -0.182 local terms energy: -56.114073 where: bonds (distance) C4'-P energy: -12.605 bonds (distance) P-C4' energy: -15.709 flat angles C4'-P-C4' energy: -13.342 flat angles P-C4'-P energy: -8.330 tors. eta vs tors. theta energy: -6.128 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: 5 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -78.665484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.665484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.665484 (E_RNA) where: Base-Base interactions energy: -34.067 where: short stacking energy: -26.636 Base-Backbone interact. energy: 0.095 local terms energy: -44.693694 where: bonds (distance) C4'-P energy: -7.141 bonds (distance) P-C4' energy: -17.796 flat angles C4'-P-C4' energy: -12.547 flat angles P-C4'-P energy: -4.547 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: 10, replica: 1 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -79.876689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.876689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.876689 (E_RNA) where: Base-Base interactions energy: -46.616 where: short stacking energy: -21.363 Base-Backbone interact. energy: 0.692 local terms energy: -33.953020 where: bonds (distance) C4'-P energy: -13.905 bonds (distance) P-C4' energy: -8.790 flat angles C4'-P-C4' energy: -6.028 flat angles P-C4'-P energy: -4.826 tors. eta vs tors. theta energy: -0.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -208.209033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.209033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.209033 (E_RNA) where: Base-Base interactions energy: -139.715 where: short stacking energy: -64.614 Base-Backbone interact. energy: -0.014 local terms energy: -68.479807 where: bonds (distance) C4'-P energy: -13.055 bonds (distance) P-C4' energy: -13.472 flat angles C4'-P-C4' energy: -12.361 flat angles P-C4'-P energy: -8.770 tors. eta vs tors. theta energy: -20.822 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: 10 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -190.744855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.744855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.744855 (E_RNA) where: Base-Base interactions energy: -120.810 where: short stacking energy: -59.344 Base-Backbone interact. energy: -0.116 local terms energy: -69.819723 where: bonds (distance) C4'-P energy: -13.773 bonds (distance) P-C4' energy: -17.066 flat angles C4'-P-C4' energy: -13.217 flat angles P-C4'-P energy: -9.165 tors. eta vs tors. theta energy: -16.599 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: 3, replica: 6 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -208.121026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.121026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.121026 (E_RNA) where: Base-Base interactions energy: -140.913 where: short stacking energy: -66.458 Base-Backbone interact. energy: -0.112 local terms energy: -67.095706 where: bonds (distance) C4'-P energy: -15.574 bonds (distance) P-C4' energy: -17.062 flat angles C4'-P-C4' energy: -11.148 flat angles P-C4'-P energy: -6.062 tors. eta vs tors. theta energy: -17.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -190.217204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.217204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.217204 (E_RNA) where: Base-Base interactions energy: -131.467 where: short stacking energy: -43.893 Base-Backbone interact. energy: -0.029 local terms energy: -58.720661 where: bonds (distance) C4'-P energy: -14.037 bonds (distance) P-C4' energy: -10.217 flat angles C4'-P-C4' energy: -16.222 flat angles P-C4'-P energy: -7.959 tors. eta vs tors. theta energy: -10.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -184.052870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.052870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.052870 (E_RNA) where: Base-Base interactions energy: -119.506 where: short stacking energy: -46.359 Base-Backbone interact. energy: 0.269 local terms energy: -64.815967 where: bonds (distance) C4'-P energy: -16.285 bonds (distance) P-C4' energy: -15.732 flat angles C4'-P-C4' energy: -10.668 flat angles P-C4'-P energy: -10.371 tors. eta vs tors. theta energy: -11.760 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: 6, replica: 7 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -174.365245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.365245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.365245 (E_RNA) where: Base-Base interactions energy: -113.622 where: short stacking energy: -49.399 Base-Backbone interact. energy: -0.113 local terms energy: -60.629979 where: bonds (distance) C4'-P energy: -11.910 bonds (distance) P-C4' energy: -10.880 flat angles C4'-P-C4' energy: -15.295 flat angles P-C4'-P energy: -6.898 tors. eta vs tors. theta energy: -15.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -164.858640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.858640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.858640 (E_RNA) where: Base-Base interactions energy: -104.881 where: short stacking energy: -50.206 Base-Backbone interact. energy: -0.059 local terms energy: -59.919083 where: bonds (distance) C4'-P energy: -10.763 bonds (distance) P-C4' energy: -15.315 flat angles C4'-P-C4' energy: -11.655 flat angles P-C4'-P energy: -10.438 tors. eta vs tors. theta energy: -11.748 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: 5 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -84.849006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.849006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.849006 (E_RNA) where: Base-Base interactions energy: -29.464 where: short stacking energy: -29.464 Base-Backbone interact. energy: -0.100 local terms energy: -55.285107 where: bonds (distance) C4'-P energy: -17.023 bonds (distance) P-C4' energy: -12.794 flat angles C4'-P-C4' energy: -14.650 flat angles P-C4'-P energy: -7.822 tors. eta vs tors. theta energy: -2.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -72.962907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.962907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.962907 (E_RNA) where: Base-Base interactions energy: -30.909 where: short stacking energy: -29.862 Base-Backbone interact. energy: -0.166 local terms energy: -41.887838 where: bonds (distance) C4'-P energy: -9.409 bonds (distance) P-C4' energy: -13.736 flat angles C4'-P-C4' energy: -13.700 flat angles P-C4'-P energy: -5.408 tors. eta vs tors. theta energy: 0.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -84.773322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.773322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.773322 (E_RNA) where: Base-Base interactions energy: -41.306 where: short stacking energy: -24.432 Base-Backbone interact. energy: -0.034 local terms energy: -43.433117 where: bonds (distance) C4'-P energy: -13.367 bonds (distance) P-C4' energy: -13.070 flat angles C4'-P-C4' energy: -10.848 flat angles P-C4'-P energy: -4.937 tors. eta vs tors. theta energy: -1.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -206.715146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.715146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.715146 (E_RNA) where: Base-Base interactions energy: -134.578 where: short stacking energy: -64.257 Base-Backbone interact. energy: -0.789 local terms energy: -71.347459 where: bonds (distance) C4'-P energy: -12.270 bonds (distance) P-C4' energy: -14.926 flat angles C4'-P-C4' energy: -16.474 flat angles P-C4'-P energy: -10.682 tors. eta vs tors. theta energy: -16.995 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: 10 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -211.614810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.614810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.614810 (E_RNA) where: Base-Base interactions energy: -138.118 where: short stacking energy: -63.514 Base-Backbone interact. energy: 0.612 local terms energy: -74.108972 where: bonds (distance) C4'-P energy: -10.299 bonds (distance) P-C4' energy: -16.805 flat angles C4'-P-C4' energy: -15.480 flat angles P-C4'-P energy: -13.224 tors. eta vs tors. theta energy: -18.301 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: 3, replica: 9 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -204.800308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.800308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.800308 (E_RNA) where: Base-Base interactions energy: -137.548 where: short stacking energy: -57.563 Base-Backbone interact. energy: -0.060 local terms energy: -67.192100 where: bonds (distance) C4'-P energy: -14.278 bonds (distance) P-C4' energy: -14.846 flat angles C4'-P-C4' energy: -15.602 flat angles P-C4'-P energy: -9.837 tors. eta vs tors. theta energy: -12.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -187.720574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.720574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.720574 (E_RNA) where: Base-Base interactions energy: -126.452 where: short stacking energy: -56.523 Base-Backbone interact. energy: 1.130 local terms energy: -62.398699 where: bonds (distance) C4'-P energy: -14.455 bonds (distance) P-C4' energy: -10.966 flat angles C4'-P-C4' energy: -12.656 flat angles P-C4'-P energy: -8.892 tors. eta vs tors. theta energy: -15.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -187.755629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.755629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.755629 (E_RNA) where: Base-Base interactions energy: -126.546 where: short stacking energy: -53.742 Base-Backbone interact. energy: -0.246 local terms energy: -60.963897 where: bonds (distance) C4'-P energy: -13.479 bonds (distance) P-C4' energy: -14.352 flat angles C4'-P-C4' energy: -12.209 flat angles P-C4'-P energy: -7.236 tors. eta vs tors. theta energy: -13.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -156.085763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.085763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.085763 (E_RNA) where: Base-Base interactions energy: -102.115 where: short stacking energy: -45.404 Base-Backbone interact. energy: -0.287 local terms energy: -53.684073 where: bonds (distance) C4'-P energy: -12.924 bonds (distance) P-C4' energy: -11.394 flat angles C4'-P-C4' energy: -11.804 flat angles P-C4'-P energy: -11.818 tors. eta vs tors. theta energy: -5.744 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: 4 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -166.410666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.410666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.410666 (E_RNA) where: Base-Base interactions energy: -112.137 where: short stacking energy: -44.423 Base-Backbone interact. energy: 0.797 local terms energy: -55.070822 where: bonds (distance) C4'-P energy: -10.435 bonds (distance) P-C4' energy: -11.753 flat angles C4'-P-C4' energy: -12.783 flat angles P-C4'-P energy: -11.170 tors. eta vs tors. theta energy: -8.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -112.405815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.405815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.405815 (E_RNA) where: Base-Base interactions energy: -58.618 where: short stacking energy: -37.492 Base-Backbone interact. energy: -0.003 local terms energy: -53.785623 where: bonds (distance) C4'-P energy: -12.574 bonds (distance) P-C4' energy: -11.658 flat angles C4'-P-C4' energy: -12.333 flat angles P-C4'-P energy: -10.593 tors. eta vs tors. theta energy: -6.628 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: 1 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -82.493911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.493911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.493911 (E_RNA) where: Base-Base interactions energy: -34.360 where: short stacking energy: -31.512 Base-Backbone interact. energy: -0.108 local terms energy: -48.025463 where: bonds (distance) C4'-P energy: -7.378 bonds (distance) P-C4' energy: -16.422 flat angles C4'-P-C4' energy: -8.527 flat angles P-C4'-P energy: -6.139 tors. eta vs tors. theta energy: -9.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -72.359486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.359486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.359486 (E_RNA) where: Base-Base interactions energy: -21.342 where: short stacking energy: -16.186 Base-Backbone interact. energy: -0.174 local terms energy: -50.844070 where: bonds (distance) C4'-P energy: -14.194 bonds (distance) P-C4' energy: -12.913 flat angles C4'-P-C4' energy: -10.092 flat angles P-C4'-P energy: -10.483 tors. eta vs tors. theta energy: -3.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -206.974972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.974972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.974972 (E_RNA) where: Base-Base interactions energy: -135.896 where: short stacking energy: -62.422 Base-Backbone interact. energy: -0.081 local terms energy: -70.998541 where: bonds (distance) C4'-P energy: -13.077 bonds (distance) P-C4' energy: -15.434 flat angles C4'-P-C4' energy: -14.787 flat angles P-C4'-P energy: -8.520 tors. eta vs tors. theta energy: -19.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -216.931770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.931770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.931770 (E_RNA) where: Base-Base interactions energy: -142.292 where: short stacking energy: -65.538 Base-Backbone interact. energy: -0.001 local terms energy: -74.639201 where: bonds (distance) C4'-P energy: -15.486 bonds (distance) P-C4' energy: -14.653 flat angles C4'-P-C4' energy: -14.348 flat angles P-C4'-P energy: -13.050 tors. eta vs tors. theta energy: -17.102 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: 9 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -194.710524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.710524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.710524 (E_RNA) where: Base-Base interactions energy: -130.662 where: short stacking energy: -51.534 Base-Backbone interact. energy: -0.268 local terms energy: -63.780544 where: bonds (distance) C4'-P energy: -13.570 bonds (distance) P-C4' energy: -16.070 flat angles C4'-P-C4' energy: -15.131 flat angles P-C4'-P energy: -10.737 tors. eta vs tors. theta energy: -8.273 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: 363 Temperature: 1.050000 Total energy: -188.347147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.347147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.347147 (E_RNA) where: Base-Base interactions energy: -132.365 where: short stacking energy: -48.483 Base-Backbone interact. energy: 0.011 local terms energy: -55.993983 where: bonds (distance) C4'-P energy: -10.489 bonds (distance) P-C4' energy: -14.808 flat angles C4'-P-C4' energy: -10.230 flat angles P-C4'-P energy: -10.329 tors. eta vs tors. theta energy: -10.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -187.448578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.448578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.448578 (E_RNA) where: Base-Base interactions energy: -123.238 where: short stacking energy: -52.260 Base-Backbone interact. energy: -0.006 local terms energy: -64.204165 where: bonds (distance) C4'-P energy: -13.984 bonds (distance) P-C4' energy: -10.185 flat angles C4'-P-C4' energy: -13.964 flat angles P-C4'-P energy: -9.672 tors. eta vs tors. theta energy: -16.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -171.968951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.968951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.968951 (E_RNA) where: Base-Base interactions energy: -107.994 where: short stacking energy: -48.556 Base-Backbone interact. energy: -0.163 local terms energy: -63.811927 where: bonds (distance) C4'-P energy: -12.484 bonds (distance) P-C4' energy: -14.437 flat angles C4'-P-C4' energy: -14.537 flat angles P-C4'-P energy: -9.663 tors. eta vs tors. theta energy: -12.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -167.140957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.140957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.140957 (E_RNA) where: Base-Base interactions energy: -106.303 where: short stacking energy: -47.687 Base-Backbone interact. energy: -0.024 local terms energy: -60.814493 where: bonds (distance) C4'-P energy: -12.944 bonds (distance) P-C4' energy: -12.297 flat angles C4'-P-C4' energy: -15.289 flat angles P-C4'-P energy: -9.125 tors. eta vs tors. theta energy: -11.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -95.100918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.100918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.100918 (E_RNA) where: Base-Base interactions energy: -50.980 where: short stacking energy: -33.014 Base-Backbone interact. energy: 2.087 local terms energy: -46.208286 where: bonds (distance) C4'-P energy: -9.874 bonds (distance) P-C4' energy: -15.964 flat angles C4'-P-C4' energy: -11.694 flat angles P-C4'-P energy: -5.161 tors. eta vs tors. theta energy: -3.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -89.880460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.880460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.880460 (E_RNA) where: Base-Base interactions energy: -40.537 where: short stacking energy: -40.537 Base-Backbone interact. energy: -0.086 local terms energy: -49.257195 where: bonds (distance) C4'-P energy: -10.596 bonds (distance) P-C4' energy: -13.669 flat angles C4'-P-C4' energy: -7.332 flat angles P-C4'-P energy: -9.436 tors. eta vs tors. theta energy: -8.224 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: 363 Temperature: 1.350000 Total energy: -81.368662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.368662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.368662 (E_RNA) where: Base-Base interactions energy: -31.628 where: short stacking energy: -29.154 Base-Backbone interact. energy: -0.204 local terms energy: -49.536208 where: bonds (distance) C4'-P energy: -12.405 bonds (distance) P-C4' energy: -12.750 flat angles C4'-P-C4' energy: -9.860 flat angles P-C4'-P energy: -9.910 tors. eta vs tors. theta energy: -4.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -217.892786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.892786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.892786 (E_RNA) where: Base-Base interactions energy: -147.651 where: short stacking energy: -70.664 Base-Backbone interact. energy: -0.479 local terms energy: -69.762958 where: bonds (distance) C4'-P energy: -10.857 bonds (distance) P-C4' energy: -16.495 flat angles C4'-P-C4' energy: -14.655 flat angles P-C4'-P energy: -8.241 tors. eta vs tors. theta energy: -19.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -205.554934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.554934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.554934 (E_RNA) where: Base-Base interactions energy: -142.155 where: short stacking energy: -61.380 Base-Backbone interact. energy: -0.200 local terms energy: -63.200812 where: bonds (distance) C4'-P energy: -13.350 bonds (distance) P-C4' energy: -14.004 flat angles C4'-P-C4' energy: -14.643 flat angles P-C4'-P energy: -4.667 tors. eta vs tors. theta energy: -16.536 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: 2 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -194.080325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.080325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.080325 (E_RNA) where: Base-Base interactions energy: -126.731 where: short stacking energy: -53.495 Base-Backbone interact. energy: -0.048 local terms energy: -67.300743 where: bonds (distance) C4'-P energy: -14.050 bonds (distance) P-C4' energy: -16.612 flat angles C4'-P-C4' energy: -10.209 flat angles P-C4'-P energy: -13.307 tors. eta vs tors. theta energy: -13.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -184.048088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.048088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.048088 (E_RNA) where: Base-Base interactions energy: -125.851 where: short stacking energy: -46.008 Base-Backbone interact. energy: -0.289 local terms energy: -57.907778 where: bonds (distance) C4'-P energy: -15.275 bonds (distance) P-C4' energy: -14.054 flat angles C4'-P-C4' energy: -11.768 flat angles P-C4'-P energy: -8.955 tors. eta vs tors. theta energy: -7.855 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: 4 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -196.944701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.944701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.944701 (E_RNA) where: Base-Base interactions energy: -142.864 where: short stacking energy: -49.156 Base-Backbone interact. energy: -0.388 local terms energy: -53.692597 where: bonds (distance) C4'-P energy: -13.459 bonds (distance) P-C4' energy: -10.359 flat angles C4'-P-C4' energy: -12.173 flat angles P-C4'-P energy: -8.221 tors. eta vs tors. theta energy: -9.481 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: 6 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -196.695670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.695670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.695670 (E_RNA) where: Base-Base interactions energy: -134.821 where: short stacking energy: -62.551 Base-Backbone interact. energy: -0.028 local terms energy: -61.846528 where: bonds (distance) C4'-P energy: -9.743 bonds (distance) P-C4' energy: -11.897 flat angles C4'-P-C4' energy: -12.953 flat angles P-C4'-P energy: -9.400 tors. eta vs tors. theta energy: -17.853 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: 7 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -163.216380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.216380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.216380 (E_RNA) where: Base-Base interactions energy: -110.343 where: short stacking energy: -38.694 Base-Backbone interact. energy: -0.288 local terms energy: -52.585147 where: bonds (distance) C4'-P energy: -9.275 bonds (distance) P-C4' energy: -15.000 flat angles C4'-P-C4' energy: -11.194 flat angles P-C4'-P energy: -3.747 tors. eta vs tors. theta energy: -13.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -83.364601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.364601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.364601 (E_RNA) where: Base-Base interactions energy: -33.163 where: short stacking energy: -25.845 Base-Backbone interact. energy: -0.116 local terms energy: -50.085646 where: bonds (distance) C4'-P energy: -14.954 bonds (distance) P-C4' energy: -13.143 flat angles C4'-P-C4' energy: -9.709 flat angles P-C4'-P energy: -9.832 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: 3 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -94.294750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.294750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.294750 (E_RNA) where: Base-Base interactions energy: -46.042 where: short stacking energy: -28.474 Base-Backbone interact. energy: -0.182 local terms energy: -48.071583 where: bonds (distance) C4'-P energy: -4.023 bonds (distance) P-C4' energy: -16.228 flat angles C4'-P-C4' energy: -15.547 flat angles P-C4'-P energy: -9.246 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: 10, replica: 5 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -87.289896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.289896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.289896 (E_RNA) where: Base-Base interactions energy: -45.229 where: short stacking energy: -23.618 Base-Backbone interact. energy: -0.182 local terms energy: -41.878794 where: bonds (distance) C4'-P energy: -13.722 bonds (distance) P-C4' energy: -14.620 flat angles C4'-P-C4' energy: -9.322 flat angles P-C4'-P energy: -5.492 tors. eta vs tors. theta energy: 1.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -220.197031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.197031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.197031 (E_RNA) where: Base-Base interactions energy: -146.278 where: short stacking energy: -70.763 Base-Backbone interact. energy: -0.114 local terms energy: -73.805082 where: bonds (distance) C4'-P energy: -15.317 bonds (distance) P-C4' energy: -12.141 flat angles C4'-P-C4' energy: -14.444 flat angles P-C4'-P energy: -10.989 tors. eta vs tors. theta energy: -20.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -212.900347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.900347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.900347 (E_RNA) where: Base-Base interactions energy: -147.996 where: short stacking energy: -61.094 Base-Backbone interact. energy: 0.243 local terms energy: -65.147566 where: bonds (distance) C4'-P energy: -13.831 bonds (distance) P-C4' energy: -14.395 flat angles C4'-P-C4' energy: -8.632 flat angles P-C4'-P energy: -10.372 tors. eta vs tors. theta energy: -17.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -186.442849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.442849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.442849 (E_RNA) where: Base-Base interactions energy: -124.371 where: short stacking energy: -55.650 Base-Backbone interact. energy: -0.198 local terms energy: -61.874434 where: bonds (distance) C4'-P energy: -10.427 bonds (distance) P-C4' energy: -15.551 flat angles C4'-P-C4' energy: -14.898 flat angles P-C4'-P energy: -6.949 tors. eta vs tors. theta energy: -14.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -201.584824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.584824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.584824 (E_RNA) where: Base-Base interactions energy: -142.354 where: short stacking energy: -55.769 Base-Backbone interact. energy: -0.133 local terms energy: -59.098223 where: bonds (distance) C4'-P energy: -11.348 bonds (distance) P-C4' energy: -13.969 flat angles C4'-P-C4' energy: -14.227 flat angles P-C4'-P energy: -4.060 tors. eta vs tors. theta energy: -15.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -190.046700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.046700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.046700 (E_RNA) where: Base-Base interactions energy: -134.537 where: short stacking energy: -54.662 Base-Backbone interact. energy: -0.006 local terms energy: -55.503250 where: bonds (distance) C4'-P energy: -16.011 bonds (distance) P-C4' energy: -9.454 flat angles C4'-P-C4' energy: -14.283 flat angles P-C4'-P energy: -2.463 tors. eta vs tors. theta energy: -13.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -192.406884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.406884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.406884 (E_RNA) where: Base-Base interactions energy: -130.830 where: short stacking energy: -55.592 Base-Backbone interact. energy: -0.073 local terms energy: -61.503814 where: bonds (distance) C4'-P energy: -8.105 bonds (distance) P-C4' energy: -11.645 flat angles C4'-P-C4' energy: -15.124 flat angles P-C4'-P energy: -9.147 tors. eta vs tors. theta energy: -17.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -166.276966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.276966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.276966 (E_RNA) where: Base-Base interactions energy: -120.714 where: short stacking energy: -42.047 Base-Backbone interact. energy: -0.137 local terms energy: -45.425940 where: bonds (distance) C4'-P energy: -9.538 bonds (distance) P-C4' energy: -3.592 flat angles C4'-P-C4' energy: -10.885 flat angles P-C4'-P energy: -9.024 tors. eta vs tors. theta energy: -12.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -113.792276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.792276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.792276 (E_RNA) where: Base-Base interactions energy: -67.982 where: short stacking energy: -24.798 Base-Backbone interact. energy: 1.290 local terms energy: -47.100124 where: bonds (distance) C4'-P energy: -12.282 bonds (distance) P-C4' energy: -17.545 flat angles C4'-P-C4' energy: -11.533 flat angles P-C4'-P energy: -6.700 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: 1 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -84.833876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.833876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.833876 (E_RNA) where: Base-Base interactions energy: -40.453 where: short stacking energy: -26.000 Base-Backbone interact. energy: -0.208 local terms energy: -44.173385 where: bonds (distance) C4'-P energy: -11.731 bonds (distance) P-C4' energy: -10.103 flat angles C4'-P-C4' energy: -15.037 flat angles P-C4'-P energy: -3.426 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: 10, replica: 5 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -76.094512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.094512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.094512 (E_RNA) where: Base-Base interactions energy: -36.324 where: short stacking energy: -22.369 Base-Backbone interact. energy: -0.006 local terms energy: -39.764164 where: bonds (distance) C4'-P energy: -7.355 bonds (distance) P-C4' energy: -16.872 flat angles C4'-P-C4' energy: -6.753 flat angles P-C4'-P energy: -10.367 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: 2 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -207.725920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.725920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.725920 (E_RNA) where: Base-Base interactions energy: -141.529 where: short stacking energy: -65.615 Base-Backbone interact. energy: -0.075 local terms energy: -66.122260 where: bonds (distance) C4'-P energy: -13.578 bonds (distance) P-C4' energy: -14.583 flat angles C4'-P-C4' energy: -12.288 flat angles P-C4'-P energy: -7.637 tors. eta vs tors. theta energy: -18.036 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: 366 Temperature: 0.950000 Total energy: -212.331631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.331631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.331631 (E_RNA) where: Base-Base interactions energy: -141.040 where: short stacking energy: -68.722 Base-Backbone interact. energy: -0.000 local terms energy: -71.291894 where: bonds (distance) C4'-P energy: -11.480 bonds (distance) P-C4' energy: -15.945 flat angles C4'-P-C4' energy: -17.439 flat angles P-C4'-P energy: -7.605 tors. eta vs tors. theta energy: -18.823 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: 4 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -190.230432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.230432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.230432 (E_RNA) where: Base-Base interactions energy: -132.756 where: short stacking energy: -54.684 Base-Backbone interact. energy: 0.248 local terms energy: -57.722089 where: bonds (distance) C4'-P energy: -10.063 bonds (distance) P-C4' energy: -15.508 flat angles C4'-P-C4' energy: -16.195 flat angles P-C4'-P energy: -3.886 tors. eta vs tors. theta energy: -12.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -188.452946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.452946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.452946 (E_RNA) where: Base-Base interactions energy: -131.867 where: short stacking energy: -52.338 Base-Backbone interact. energy: -0.303 local terms energy: -56.283580 where: bonds (distance) C4'-P energy: -12.014 bonds (distance) P-C4' energy: -15.410 flat angles C4'-P-C4' energy: -6.343 flat angles P-C4'-P energy: -10.421 tors. eta vs tors. theta energy: -12.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -194.119697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.119697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.119697 (E_RNA) where: Base-Base interactions energy: -125.466 where: short stacking energy: -53.620 Base-Backbone interact. energy: -0.051 local terms energy: -68.602605 where: bonds (distance) C4'-P energy: -12.465 bonds (distance) P-C4' energy: -14.621 flat angles C4'-P-C4' energy: -17.201 flat angles P-C4'-P energy: -7.600 tors. eta vs tors. theta energy: -16.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -176.043002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.043002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.043002 (E_RNA) where: Base-Base interactions energy: -117.871 where: short stacking energy: -60.864 Base-Backbone interact. energy: -0.155 local terms energy: -58.017042 where: bonds (distance) C4'-P energy: -10.726 bonds (distance) P-C4' energy: -15.318 flat angles C4'-P-C4' energy: -14.781 flat angles P-C4'-P energy: -5.262 tors. eta vs tors. theta energy: -11.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -177.930208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.930208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.930208 (E_RNA) where: Base-Base interactions energy: -118.724 where: short stacking energy: -46.250 Base-Backbone interact. energy: -0.115 local terms energy: -59.091349 where: bonds (distance) C4'-P energy: -9.626 bonds (distance) P-C4' energy: -14.550 flat angles C4'-P-C4' energy: -15.341 flat angles P-C4'-P energy: -4.496 tors. eta vs tors. theta energy: -15.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -135.656747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.656747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.656747 (E_RNA) where: Base-Base interactions energy: -92.226 where: short stacking energy: -47.934 Base-Backbone interact. energy: -0.124 local terms energy: -43.306968 where: bonds (distance) C4'-P energy: -8.280 bonds (distance) P-C4' energy: -10.620 flat angles C4'-P-C4' energy: -9.501 flat angles P-C4'-P energy: -6.350 tors. eta vs tors. theta energy: -8.555 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: 5 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -139.548783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.548783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.548783 (E_RNA) where: Base-Base interactions energy: -90.790 where: short stacking energy: -43.962 Base-Backbone interact. energy: -0.128 local terms energy: -48.631586 where: bonds (distance) C4'-P energy: -6.868 bonds (distance) P-C4' energy: -15.504 flat angles C4'-P-C4' energy: -11.133 flat angles P-C4'-P energy: -6.904 tors. eta vs tors. theta energy: -8.223 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: 1 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -71.461342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.461342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.461342 (E_RNA) where: Base-Base interactions energy: -20.414 where: short stacking energy: -17.935 Base-Backbone interact. energy: -0.382 local terms energy: -50.665335 where: bonds (distance) C4'-P energy: -11.681 bonds (distance) P-C4' energy: -13.627 flat angles C4'-P-C4' energy: -15.227 flat angles P-C4'-P energy: -7.608 tors. eta vs tors. theta energy: -2.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -214.979319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.979319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.979319 (E_RNA) where: Base-Base interactions energy: -146.054 where: short stacking energy: -68.926 Base-Backbone interact. energy: -0.185 local terms energy: -68.740290 where: bonds (distance) C4'-P energy: -11.794 bonds (distance) P-C4' energy: -16.293 flat angles C4'-P-C4' energy: -14.728 flat angles P-C4'-P energy: -7.244 tors. eta vs tors. theta energy: -18.681 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: 10 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -211.761143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.761143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.761143 (E_RNA) where: Base-Base interactions energy: -138.704 where: short stacking energy: -61.654 Base-Backbone interact. energy: -0.093 local terms energy: -72.963941 where: bonds (distance) C4'-P energy: -15.218 bonds (distance) P-C4' energy: -14.241 flat angles C4'-P-C4' energy: -17.212 flat angles P-C4'-P energy: -8.843 tors. eta vs tors. theta energy: -17.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -196.958512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.958512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.958512 (E_RNA) where: Base-Base interactions energy: -132.742 where: short stacking energy: -50.248 Base-Backbone interact. energy: 0.207 local terms energy: -64.423375 where: bonds (distance) C4'-P energy: -14.134 bonds (distance) P-C4' energy: -15.513 flat angles C4'-P-C4' energy: -14.257 flat angles P-C4'-P energy: -10.827 tors. eta vs tors. theta energy: -9.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -201.048402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.048402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.048402 (E_RNA) where: Base-Base interactions energy: -134.338 where: short stacking energy: -68.884 Base-Backbone interact. energy: -0.154 local terms energy: -66.556617 where: bonds (distance) C4'-P energy: -14.266 bonds (distance) P-C4' energy: -11.984 flat angles C4'-P-C4' energy: -15.346 flat angles P-C4'-P energy: -6.682 tors. eta vs tors. theta energy: -18.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -177.144782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.144782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.144782 (E_RNA) where: Base-Base interactions energy: -113.621 where: short stacking energy: -53.551 Base-Backbone interact. energy: -0.419 local terms energy: -63.104668 where: bonds (distance) C4'-P energy: -12.884 bonds (distance) P-C4' energy: -14.355 flat angles C4'-P-C4' energy: -12.622 flat angles P-C4'-P energy: -10.287 tors. eta vs tors. theta energy: -12.957 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: 367 Temperature: 1.150000 Total energy: -171.927312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.927312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.927312 (E_RNA) where: Base-Base interactions energy: -109.681 where: short stacking energy: -47.555 Base-Backbone interact. energy: -0.085 local terms energy: -62.161903 where: bonds (distance) C4'-P energy: -12.290 bonds (distance) P-C4' energy: -15.688 flat angles C4'-P-C4' energy: -13.155 flat angles P-C4'-P energy: -10.043 tors. eta vs tors. theta energy: -10.987 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: 9 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -187.413074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.413074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.413074 (E_RNA) where: Base-Base interactions energy: -131.012 where: short stacking energy: -48.858 Base-Backbone interact. energy: -0.171 local terms energy: -56.230460 where: bonds (distance) C4'-P energy: -12.367 bonds (distance) P-C4' energy: -11.219 flat angles C4'-P-C4' energy: -15.280 flat angles P-C4'-P energy: -4.709 tors. eta vs tors. theta energy: -12.656 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: 8, replica: 5 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -158.640093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.640093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.640093 (E_RNA) where: Base-Base interactions energy: -100.974 where: short stacking energy: -50.198 Base-Backbone interact. energy: -0.121 local terms energy: -57.545116 where: bonds (distance) C4'-P energy: -15.094 bonds (distance) P-C4' energy: -12.377 flat angles C4'-P-C4' energy: -12.051 flat angles P-C4'-P energy: -6.383 tors. eta vs tors. theta energy: -11.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -133.554936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.554936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.554936 (E_RNA) where: Base-Base interactions energy: -84.783 where: short stacking energy: -37.341 Base-Backbone interact. energy: -0.246 local terms energy: -48.526626 where: bonds (distance) C4'-P energy: -13.462 bonds (distance) P-C4' energy: -15.469 flat angles C4'-P-C4' energy: -5.686 flat angles P-C4'-P energy: -7.272 tors. eta vs tors. theta energy: -6.637 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: 1 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -65.811815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.811815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.811815 (E_RNA) where: Base-Base interactions energy: -23.398 where: short stacking energy: -16.002 Base-Backbone interact. energy: 1.443 local terms energy: -43.856769 where: bonds (distance) C4'-P energy: -14.461 bonds (distance) P-C4' energy: -10.309 flat angles C4'-P-C4' energy: -7.972 flat angles P-C4'-P energy: -6.643 tors. eta vs tors. theta energy: -4.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -222.664595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.664595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.664595 (E_RNA) where: Base-Base interactions energy: -149.471 where: short stacking energy: -69.354 Base-Backbone interact. energy: -0.393 local terms energy: -72.799927 where: bonds (distance) C4'-P energy: -15.218 bonds (distance) P-C4' energy: -14.126 flat angles C4'-P-C4' energy: -15.935 flat angles P-C4'-P energy: -7.028 tors. eta vs tors. theta energy: -20.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -206.141490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.141490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.141490 (E_RNA) where: Base-Base interactions energy: -136.920 where: short stacking energy: -65.158 Base-Backbone interact. energy: -0.000 local terms energy: -69.220866 where: bonds (distance) C4'-P energy: -12.477 bonds (distance) P-C4' energy: -15.812 flat angles C4'-P-C4' energy: -11.533 flat angles P-C4'-P energy: -10.282 tors. eta vs tors. theta energy: -19.117 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: 6 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -201.330447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.330447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.330447 (E_RNA) where: Base-Base interactions energy: -135.073 where: short stacking energy: -61.972 Base-Backbone interact. energy: -0.055 local terms energy: -66.202171 where: bonds (distance) C4'-P energy: -13.602 bonds (distance) P-C4' energy: -12.713 flat angles C4'-P-C4' energy: -15.484 flat angles P-C4'-P energy: -10.317 tors. eta vs tors. theta energy: -14.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -190.450266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.450266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.450266 (E_RNA) where: Base-Base interactions energy: -130.909 where: short stacking energy: -53.981 Base-Backbone interact. energy: -0.160 local terms energy: -59.380883 where: bonds (distance) C4'-P energy: -8.920 bonds (distance) P-C4' energy: -16.833 flat angles C4'-P-C4' energy: -14.133 flat angles P-C4'-P energy: -7.776 tors. eta vs tors. theta energy: -11.720 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: 7 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -191.477487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.477487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.477487 (E_RNA) where: Base-Base interactions energy: -122.092 where: short stacking energy: -55.337 Base-Backbone interact. energy: -0.745 local terms energy: -68.640784 where: bonds (distance) C4'-P energy: -13.177 bonds (distance) P-C4' energy: -15.195 flat angles C4'-P-C4' energy: -14.483 flat angles P-C4'-P energy: -8.147 tors. eta vs tors. theta energy: -17.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -161.833329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.833329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.833329 (E_RNA) where: Base-Base interactions energy: -94.639 where: short stacking energy: -37.992 Base-Backbone interact. energy: -0.942 local terms energy: -66.252636 where: bonds (distance) C4'-P energy: -14.924 bonds (distance) P-C4' energy: -16.836 flat angles C4'-P-C4' energy: -13.882 flat angles P-C4'-P energy: -9.689 tors. eta vs tors. theta energy: -10.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -163.084455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.084455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.084455 (E_RNA) where: Base-Base interactions energy: -111.022 where: short stacking energy: -45.053 Base-Backbone interact. energy: -0.296 local terms energy: -51.766985 where: bonds (distance) C4'-P energy: -11.417 bonds (distance) P-C4' energy: -12.330 flat angles C4'-P-C4' energy: -8.081 flat angles P-C4'-P energy: -5.743 tors. eta vs tors. theta energy: -14.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -169.891136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.891136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.891136 (E_RNA) where: Base-Base interactions energy: -113.653 where: short stacking energy: -52.117 Base-Backbone interact. energy: -0.002 local terms energy: -56.236375 where: bonds (distance) C4'-P energy: -8.709 bonds (distance) P-C4' energy: -10.763 flat angles C4'-P-C4' energy: -12.216 flat angles P-C4'-P energy: -10.382 tors. eta vs tors. theta energy: -14.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -153.968641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.968641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.968641 (E_RNA) where: Base-Base interactions energy: -98.280 where: short stacking energy: -55.498 Base-Backbone interact. energy: -0.108 local terms energy: -55.580129 where: bonds (distance) C4'-P energy: -13.702 bonds (distance) P-C4' energy: -14.250 flat angles C4'-P-C4' energy: -8.982 flat angles P-C4'-P energy: -5.980 tors. eta vs tors. theta energy: -12.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -75.625499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.625499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.625499 (E_RNA) where: Base-Base interactions energy: -24.123 where: short stacking energy: -19.432 Base-Backbone interact. energy: -0.019 local terms energy: -51.483184 where: bonds (distance) C4'-P energy: -14.149 bonds (distance) P-C4' energy: -13.892 flat angles C4'-P-C4' energy: -13.047 flat angles P-C4'-P energy: -7.075 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: 1, replica: 10 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -218.085294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.085294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.085294 (E_RNA) where: Base-Base interactions energy: -140.598 where: short stacking energy: -66.466 Base-Backbone interact. energy: -0.005 local terms energy: -77.481926 where: bonds (distance) C4'-P energy: -15.458 bonds (distance) P-C4' energy: -14.400 flat angles C4'-P-C4' energy: -15.287 flat angles P-C4'-P energy: -12.640 tors. eta vs tors. theta energy: -19.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -209.119766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.119766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.119766 (E_RNA) where: Base-Base interactions energy: -142.941 where: short stacking energy: -62.333 Base-Backbone interact. energy: -0.405 local terms energy: -65.774061 where: bonds (distance) C4'-P energy: -16.737 bonds (distance) P-C4' energy: -9.029 flat angles C4'-P-C4' energy: -17.205 flat angles P-C4'-P energy: -7.817 tors. eta vs tors. theta energy: -14.986 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: 2 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -210.640904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.640904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.640904 (E_RNA) where: Base-Base interactions energy: -142.713 where: short stacking energy: -62.600 Base-Backbone interact. energy: -0.014 local terms energy: -67.913796 where: bonds (distance) C4'-P energy: -13.425 bonds (distance) P-C4' energy: -14.070 flat angles C4'-P-C4' energy: -15.820 flat angles P-C4'-P energy: -7.459 tors. eta vs tors. theta energy: -17.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -184.458528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.458528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.458528 (E_RNA) where: Base-Base interactions energy: -117.178 where: short stacking energy: -50.274 Base-Backbone interact. energy: -1.041 local terms energy: -66.239782 where: bonds (distance) C4'-P energy: -16.223 bonds (distance) P-C4' energy: -13.113 flat angles C4'-P-C4' energy: -13.973 flat angles P-C4'-P energy: -10.570 tors. eta vs tors. theta energy: -12.361 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: 4 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -180.379206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.379206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.379206 (E_RNA) where: Base-Base interactions energy: -117.891 where: short stacking energy: -47.918 Base-Backbone interact. energy: -0.237 local terms energy: -62.250996 where: bonds (distance) C4'-P energy: -15.097 bonds (distance) P-C4' energy: -15.356 flat angles C4'-P-C4' energy: -8.990 flat angles P-C4'-P energy: -8.491 tors. eta vs tors. theta energy: -14.317 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: 8 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -170.192029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.192029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.192029 (E_RNA) where: Base-Base interactions energy: -121.652 where: short stacking energy: -47.764 Base-Backbone interact. energy: -0.100 local terms energy: -48.440410 where: bonds (distance) C4'-P energy: -13.495 bonds (distance) P-C4' energy: -12.996 flat angles C4'-P-C4' energy: -5.184 flat angles P-C4'-P energy: -7.314 tors. eta vs tors. theta energy: -9.451 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: 5 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -167.909331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.909331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.909331 (E_RNA) where: Base-Base interactions energy: -108.984 where: short stacking energy: -54.086 Base-Backbone interact. energy: -0.147 local terms energy: -58.778337 where: bonds (distance) C4'-P energy: -12.629 bonds (distance) P-C4' energy: -14.162 flat angles C4'-P-C4' energy: -15.844 flat angles P-C4'-P energy: -7.300 tors. eta vs tors. theta energy: -8.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -151.658058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.658058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.658058 (E_RNA) where: Base-Base interactions energy: -94.840 where: short stacking energy: -46.146 Base-Backbone interact. energy: -0.030 local terms energy: -56.788600 where: bonds (distance) C4'-P energy: -13.623 bonds (distance) P-C4' energy: -15.305 flat angles C4'-P-C4' energy: -12.057 flat angles P-C4'-P energy: -10.052 tors. eta vs tors. theta energy: -5.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -147.158005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.158005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.158005 (E_RNA) where: Base-Base interactions energy: -105.754 where: short stacking energy: -33.321 Base-Backbone interact. energy: -0.402 local terms energy: -41.001633 where: bonds (distance) C4'-P energy: -6.546 bonds (distance) P-C4' energy: -11.750 flat angles C4'-P-C4' energy: -11.954 flat angles P-C4'-P energy: -5.299 tors. eta vs tors. theta energy: -5.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -116.444835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.444835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.444835 (E_RNA) where: Base-Base interactions energy: -66.334 where: short stacking energy: -39.540 Base-Backbone interact. energy: -0.021 local terms energy: -50.090174 where: bonds (distance) C4'-P energy: -16.249 bonds (distance) P-C4' energy: -9.936 flat angles C4'-P-C4' energy: -9.557 flat angles P-C4'-P energy: -7.672 tors. eta vs tors. theta energy: -6.676 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: 370 Temperature: 0.900000 Total energy: -215.152919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.152919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.152919 (E_RNA) where: Base-Base interactions energy: -141.865 where: short stacking energy: -56.812 Base-Backbone interact. energy: -0.144 local terms energy: -73.144613 where: bonds (distance) C4'-P energy: -13.611 bonds (distance) P-C4' energy: -16.364 flat angles C4'-P-C4' energy: -15.696 flat angles P-C4'-P energy: -10.947 tors. eta vs tors. theta energy: -16.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -218.762051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.762051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.762051 (E_RNA) where: Base-Base interactions energy: -145.010 where: short stacking energy: -68.171 Base-Backbone interact. energy: -0.141 local terms energy: -73.611232 where: bonds (distance) C4'-P energy: -13.160 bonds (distance) P-C4' energy: -17.355 flat angles C4'-P-C4' energy: -14.622 flat angles P-C4'-P energy: -10.111 tors. eta vs tors. theta energy: -18.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -189.026668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.026668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.026668 (E_RNA) where: Base-Base interactions energy: -126.706 where: short stacking energy: -63.284 Base-Backbone interact. energy: -0.002 local terms energy: -62.318421 where: bonds (distance) C4'-P energy: -12.800 bonds (distance) P-C4' energy: -10.914 flat angles C4'-P-C4' energy: -16.278 flat angles P-C4'-P energy: -9.410 tors. eta vs tors. theta energy: -12.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -194.400919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.400919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.400919 (E_RNA) where: Base-Base interactions energy: -124.557 where: short stacking energy: -45.724 Base-Backbone interact. energy: -0.221 local terms energy: -69.622801 where: bonds (distance) C4'-P energy: -15.068 bonds (distance) P-C4' energy: -13.815 flat angles C4'-P-C4' energy: -15.776 flat angles P-C4'-P energy: -11.300 tors. eta vs tors. theta energy: -13.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -179.170928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.170928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.170928 (E_RNA) where: Base-Base interactions energy: -122.746 where: short stacking energy: -53.042 Base-Backbone interact. energy: 0.768 local terms energy: -57.193035 where: bonds (distance) C4'-P energy: -12.890 bonds (distance) P-C4' energy: -15.772 flat angles C4'-P-C4' energy: -12.717 flat angles P-C4'-P energy: -3.385 tors. eta vs tors. theta energy: -12.429 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: 370 Temperature: 1.150000 Total energy: -190.932039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.932039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.932039 (E_RNA) where: Base-Base interactions energy: -129.186 where: short stacking energy: -54.705 Base-Backbone interact. energy: -0.123 local terms energy: -61.623159 where: bonds (distance) C4'-P energy: -9.972 bonds (distance) P-C4' energy: -13.462 flat angles C4'-P-C4' energy: -13.004 flat angles P-C4'-P energy: -11.416 tors. eta vs tors. theta energy: -13.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -163.314283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.314283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.314283 (E_RNA) where: Base-Base interactions energy: -107.634 where: short stacking energy: -50.143 Base-Backbone interact. energy: 0.786 local terms energy: -56.466372 where: bonds (distance) C4'-P energy: -10.374 bonds (distance) P-C4' energy: -13.813 flat angles C4'-P-C4' energy: -10.283 flat angles P-C4'-P energy: -7.254 tors. eta vs tors. theta energy: -14.743 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: 370 Temperature: 1.250000 Total energy: -162.427748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.427748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.427748 (E_RNA) where: Base-Base interactions energy: -98.169 where: short stacking energy: -50.102 Base-Backbone interact. energy: -0.162 local terms energy: -64.096834 where: bonds (distance) C4'-P energy: -13.275 bonds (distance) P-C4' energy: -14.524 flat angles C4'-P-C4' energy: -13.720 flat angles P-C4'-P energy: -9.060 tors. eta vs tors. theta energy: -13.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -134.828861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.828861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.828861 (E_RNA) where: Base-Base interactions energy: -82.203 where: short stacking energy: -26.171 Base-Backbone interact. energy: -0.207 local terms energy: -52.418227 where: bonds (distance) C4'-P energy: -8.807 bonds (distance) P-C4' energy: -17.777 flat angles C4'-P-C4' energy: -10.830 flat angles P-C4'-P energy: -8.786 tors. eta vs tors. theta energy: -6.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -117.619884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.619884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.619884 (E_RNA) where: Base-Base interactions energy: -65.169 where: short stacking energy: -36.109 Base-Backbone interact. energy: -0.062 local terms energy: -52.389614 where: bonds (distance) C4'-P energy: -11.455 bonds (distance) P-C4' energy: -8.276 flat angles C4'-P-C4' energy: -13.389 flat angles P-C4'-P energy: -9.927 tors. eta vs tors. theta energy: -9.343 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: 6 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -214.271927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.271927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.271927 (E_RNA) where: Base-Base interactions energy: -143.045 where: short stacking energy: -61.998 Base-Backbone interact. energy: -0.222 local terms energy: -71.004490 where: bonds (distance) C4'-P energy: -13.897 bonds (distance) P-C4' energy: -12.472 flat angles C4'-P-C4' energy: -14.682 flat angles P-C4'-P energy: -11.714 tors. eta vs tors. theta energy: -18.241 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: 2, replica: 10 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -206.863348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.863348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.863348 (E_RNA) where: Base-Base interactions energy: -139.318 where: short stacking energy: -64.786 Base-Backbone interact. energy: -0.130 local terms energy: -67.414677 where: bonds (distance) C4'-P energy: -13.698 bonds (distance) P-C4' energy: -11.341 flat angles C4'-P-C4' energy: -15.548 flat angles P-C4'-P energy: -6.275 tors. eta vs tors. theta energy: -20.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -192.516213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.516213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.516213 (E_RNA) where: Base-Base interactions energy: -132.657 where: short stacking energy: -57.782 Base-Backbone interact. energy: 0.078 local terms energy: -59.937214 where: bonds (distance) C4'-P energy: -12.452 bonds (distance) P-C4' energy: -13.058 flat angles C4'-P-C4' energy: -15.223 flat angles P-C4'-P energy: -5.409 tors. eta vs tors. theta energy: -13.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -193.701334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.701334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.701334 (E_RNA) where: Base-Base interactions energy: -130.706 where: short stacking energy: -49.889 Base-Backbone interact. energy: -0.143 local terms energy: -62.851651 where: bonds (distance) C4'-P energy: -14.637 bonds (distance) P-C4' energy: -13.763 flat angles C4'-P-C4' energy: -13.385 flat angles P-C4'-P energy: -10.132 tors. eta vs tors. theta energy: -10.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -180.905602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.905602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.905602 (E_RNA) where: Base-Base interactions energy: -123.573 where: short stacking energy: -59.142 Base-Backbone interact. energy: -0.069 local terms energy: -57.263181 where: bonds (distance) C4'-P energy: -8.961 bonds (distance) P-C4' energy: -13.371 flat angles C4'-P-C4' energy: -13.213 flat angles P-C4'-P energy: -7.523 tors. eta vs tors. theta energy: -14.196 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: 4 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -185.368904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.368904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.368904 (E_RNA) where: Base-Base interactions energy: -132.908 where: short stacking energy: -43.152 Base-Backbone interact. energy: -0.638 local terms energy: -51.822829 where: bonds (distance) C4'-P energy: -16.359 bonds (distance) P-C4' energy: -9.881 flat angles C4'-P-C4' energy: -10.860 flat angles P-C4'-P energy: -6.403 tors. eta vs tors. theta energy: -8.319 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: 371 Temperature: 1.200000 Total energy: -87.834411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.834411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.834411 (E_RNA) where: Base-Base interactions energy: -36.495 where: short stacking energy: -20.066 Base-Backbone interact. energy: -0.780 local terms energy: -50.559521 where: bonds (distance) C4'-P energy: -14.091 bonds (distance) P-C4' energy: -12.855 flat angles C4'-P-C4' energy: -11.580 flat angles P-C4'-P energy: -8.956 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: 8, replica: 5 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -153.138476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.138476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.138476 (E_RNA) where: Base-Base interactions energy: -97.955 where: short stacking energy: -54.250 Base-Backbone interact. energy: -0.003 local terms energy: -55.180270 where: bonds (distance) C4'-P energy: -10.532 bonds (distance) P-C4' energy: -12.395 flat angles C4'-P-C4' energy: -12.539 flat angles P-C4'-P energy: -9.345 tors. eta vs tors. theta energy: -10.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -141.106369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.106369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.106369 (E_RNA) where: Base-Base interactions energy: -88.221 where: short stacking energy: -41.395 Base-Backbone interact. energy: -0.056 local terms energy: -52.829474 where: bonds (distance) C4'-P energy: -11.569 bonds (distance) P-C4' energy: -10.090 flat angles C4'-P-C4' energy: -11.219 flat angles P-C4'-P energy: -9.418 tors. eta vs tors. theta energy: -10.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -99.324248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.324248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.324248 (E_RNA) where: Base-Base interactions energy: -50.511 where: short stacking energy: -30.830 Base-Backbone interact. energy: -0.312 local terms energy: -48.501457 where: bonds (distance) C4'-P energy: -12.343 bonds (distance) P-C4' energy: -14.090 flat angles C4'-P-C4' energy: -11.387 flat angles P-C4'-P energy: -8.473 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: 1, replica: 6 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -207.997024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.997024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.997024 (E_RNA) where: Base-Base interactions energy: -140.755 where: short stacking energy: -60.648 Base-Backbone interact. energy: -0.106 local terms energy: -67.136628 where: bonds (distance) C4'-P energy: -12.708 bonds (distance) P-C4' energy: -13.880 flat angles C4'-P-C4' energy: -16.047 flat angles P-C4'-P energy: -10.681 tors. eta vs tors. theta energy: -13.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -208.114937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.114937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.114937 (E_RNA) where: Base-Base interactions energy: -137.876 where: short stacking energy: -60.349 Base-Backbone interact. energy: -0.001 local terms energy: -70.237394 where: bonds (distance) C4'-P energy: -14.828 bonds (distance) P-C4' energy: -17.548 flat angles C4'-P-C4' energy: -13.725 flat angles P-C4'-P energy: -6.927 tors. eta vs tors. theta energy: -17.209 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: 3, replica: 2 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -205.789265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.789265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.789265 (E_RNA) where: Base-Base interactions energy: -134.145 where: short stacking energy: -57.528 Base-Backbone interact. energy: -0.551 local terms energy: -71.092837 where: bonds (distance) C4'-P energy: -13.512 bonds (distance) P-C4' energy: -14.275 flat angles C4'-P-C4' energy: -16.643 flat angles P-C4'-P energy: -10.278 tors. eta vs tors. theta energy: -16.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -201.784770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.784770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.784770 (E_RNA) where: Base-Base interactions energy: -129.173 where: short stacking energy: -62.906 Base-Backbone interact. energy: -0.002 local terms energy: -72.609154 where: bonds (distance) C4'-P energy: -13.158 bonds (distance) P-C4' energy: -15.051 flat angles C4'-P-C4' energy: -15.503 flat angles P-C4'-P energy: -9.549 tors. eta vs tors. theta energy: -19.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -190.738055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.738055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.738055 (E_RNA) where: Base-Base interactions energy: -127.436 where: short stacking energy: -56.850 Base-Backbone interact. energy: -0.612 local terms energy: -62.690297 where: bonds (distance) C4'-P energy: -15.556 bonds (distance) P-C4' energy: -11.745 flat angles C4'-P-C4' energy: -12.552 flat angles P-C4'-P energy: -7.582 tors. eta vs tors. theta energy: -15.255 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: 8 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -181.550925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.550925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.550925 (E_RNA) where: Base-Base interactions energy: -121.984 where: short stacking energy: -53.704 Base-Backbone interact. energy: 0.168 local terms energy: -59.734878 where: bonds (distance) C4'-P energy: -11.769 bonds (distance) P-C4' energy: -13.989 flat angles C4'-P-C4' energy: -16.696 flat angles P-C4'-P energy: -3.776 tors. eta vs tors. theta energy: -13.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -167.144752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.144752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.144752 (E_RNA) where: Base-Base interactions energy: -111.467 where: short stacking energy: -52.717 Base-Backbone interact. energy: -0.000 local terms energy: -55.677315 where: bonds (distance) C4'-P energy: -13.768 bonds (distance) P-C4' energy: -10.809 flat angles C4'-P-C4' energy: -14.318 flat angles P-C4'-P energy: -5.211 tors. eta vs tors. theta energy: -11.571 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: 8, replica: 3 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -86.321275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.321275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.321275 (E_RNA) where: Base-Base interactions energy: -35.392 where: short stacking energy: -35.392 Base-Backbone interact. energy: -0.121 local terms energy: -50.808655 where: bonds (distance) C4'-P energy: -13.296 bonds (distance) P-C4' energy: -11.027 flat angles C4'-P-C4' energy: -13.496 flat angles P-C4'-P energy: -8.414 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: 9, replica: 9 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -157.931820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.931820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.931820 (E_RNA) where: Base-Base interactions energy: -110.187 where: short stacking energy: -53.390 Base-Backbone interact. energy: -0.105 local terms energy: -47.639641 where: bonds (distance) C4'-P energy: -8.830 bonds (distance) P-C4' energy: -9.024 flat angles C4'-P-C4' energy: -15.192 flat angles P-C4'-P energy: -6.554 tors. eta vs tors. theta energy: -8.039 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: 1 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -79.839179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.839179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.839179 (E_RNA) where: Base-Base interactions energy: -27.237 where: short stacking energy: -22.002 Base-Backbone interact. energy: -0.131 local terms energy: -52.470954 where: bonds (distance) C4'-P energy: -11.380 bonds (distance) P-C4' energy: -10.203 flat angles C4'-P-C4' energy: -14.695 flat angles P-C4'-P energy: -10.117 tors. eta vs tors. theta energy: -6.076 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: 6 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -202.633315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.633315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.633315 (E_RNA) where: Base-Base interactions energy: -135.742 where: short stacking energy: -56.882 Base-Backbone interact. energy: -0.107 local terms energy: -66.784278 where: bonds (distance) C4'-P energy: -13.477 bonds (distance) P-C4' energy: -15.893 flat angles C4'-P-C4' energy: -13.904 flat angles P-C4'-P energy: -12.849 tors. eta vs tors. theta energy: -10.661 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: 2 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -213.632010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.632010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.632010 (E_RNA) where: Base-Base interactions energy: -153.725 where: short stacking energy: -59.543 Base-Backbone interact. energy: -0.451 local terms energy: -59.455739 where: bonds (distance) C4'-P energy: -13.176 bonds (distance) P-C4' energy: -10.520 flat angles C4'-P-C4' energy: -10.710 flat angles P-C4'-P energy: -9.477 tors. eta vs tors. theta energy: -15.571 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: 10 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -213.560934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.560934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.560934 (E_RNA) where: Base-Base interactions energy: -146.846 where: short stacking energy: -63.387 Base-Backbone interact. energy: -0.002 local terms energy: -66.712779 where: bonds (distance) C4'-P energy: -12.598 bonds (distance) P-C4' energy: -14.708 flat angles C4'-P-C4' energy: -15.394 flat angles P-C4'-P energy: -4.759 tors. eta vs tors. theta energy: -19.253 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: 4, replica: 7 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -193.983198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.983198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.983198 (E_RNA) where: Base-Base interactions energy: -129.022 where: short stacking energy: -58.570 Base-Backbone interact. energy: -0.009 local terms energy: -64.951856 where: bonds (distance) C4'-P energy: -9.626 bonds (distance) P-C4' energy: -14.092 flat angles C4'-P-C4' energy: -15.109 flat angles P-C4'-P energy: -9.197 tors. eta vs tors. theta energy: -16.928 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: 5, replica: 4 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -178.859520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.859520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.859520 (E_RNA) where: Base-Base interactions energy: -117.032 where: short stacking energy: -56.927 Base-Backbone interact. energy: 0.559 local terms energy: -62.386956 where: bonds (distance) C4'-P energy: -13.082 bonds (distance) P-C4' energy: -12.150 flat angles C4'-P-C4' energy: -13.354 flat angles P-C4'-P energy: -9.247 tors. eta vs tors. theta energy: -14.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -179.594335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.594335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.594335 (E_RNA) where: Base-Base interactions energy: -109.518 where: short stacking energy: -55.290 Base-Backbone interact. energy: -0.160 local terms energy: -69.916657 where: bonds (distance) C4'-P energy: -12.592 bonds (distance) P-C4' energy: -15.885 flat angles C4'-P-C4' energy: -16.220 flat angles P-C4'-P energy: -10.104 tors. eta vs tors. theta energy: -15.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -166.886925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.886925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.886925 (E_RNA) where: Base-Base interactions energy: -113.040 where: short stacking energy: -52.034 Base-Backbone interact. energy: -0.638 local terms energy: -53.208611 where: bonds (distance) C4'-P energy: -14.228 bonds (distance) P-C4' energy: -13.497 flat angles C4'-P-C4' energy: -10.883 flat angles P-C4'-P energy: -6.696 tors. eta vs tors. theta energy: -7.906 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: 9 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -175.743728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.743728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.743728 (E_RNA) where: Base-Base interactions energy: -111.940 where: short stacking energy: -56.562 Base-Backbone interact. energy: -0.346 local terms energy: -63.457961 where: bonds (distance) C4'-P energy: -9.264 bonds (distance) P-C4' energy: -17.513 flat angles C4'-P-C4' energy: -13.669 flat angles P-C4'-P energy: -6.489 tors. eta vs tors. theta energy: -16.523 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: 9, replica: 3 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -84.914706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.914706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.914706 (E_RNA) where: Base-Base interactions energy: -35.330 where: short stacking energy: -35.330 Base-Backbone interact. energy: -0.016 local terms energy: -49.568748 where: bonds (distance) C4'-P energy: -14.647 bonds (distance) P-C4' energy: -12.961 flat angles C4'-P-C4' energy: -7.688 flat angles P-C4'-P energy: -5.016 tors. eta vs tors. theta energy: -9.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -80.313931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.313931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.313931 (E_RNA) where: Base-Base interactions energy: -32.511 where: short stacking energy: -31.013 Base-Backbone interact. energy: -0.339 local terms energy: -47.463530 where: bonds (distance) C4'-P energy: -13.078 bonds (distance) P-C4' energy: -9.337 flat angles C4'-P-C4' energy: -13.022 flat angles P-C4'-P energy: -7.707 tors. eta vs tors. theta energy: -4.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -208.777145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.777145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.777145 (E_RNA) where: Base-Base interactions energy: -152.818 where: short stacking energy: -53.477 Base-Backbone interact. energy: -0.106 local terms energy: -55.852973 where: bonds (distance) C4'-P energy: -13.835 bonds (distance) P-C4' energy: -14.653 flat angles C4'-P-C4' energy: -11.512 flat angles P-C4'-P energy: -5.942 tors. eta vs tors. theta energy: -9.910 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: 6 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -204.553989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.553989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.553989 (E_RNA) where: Base-Base interactions energy: -135.275 where: short stacking energy: -52.868 Base-Backbone interact. energy: -0.038 local terms energy: -69.241313 where: bonds (distance) C4'-P energy: -14.398 bonds (distance) P-C4' energy: -18.257 flat angles C4'-P-C4' energy: -12.064 flat angles P-C4'-P energy: -10.487 tors. eta vs tors. theta energy: -14.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -215.886816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.886816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.886816 (E_RNA) where: Base-Base interactions energy: -141.306 where: short stacking energy: -70.924 Base-Backbone interact. energy: -0.245 local terms energy: -74.336367 where: bonds (distance) C4'-P energy: -17.266 bonds (distance) P-C4' energy: -15.342 flat angles C4'-P-C4' energy: -14.804 flat angles P-C4'-P energy: -7.016 tors. eta vs tors. theta energy: -19.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -207.329500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.329500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.329500 (E_RNA) where: Base-Base interactions energy: -143.133 where: short stacking energy: -57.493 Base-Backbone interact. energy: -1.225 local terms energy: -62.971032 where: bonds (distance) C4'-P energy: -12.257 bonds (distance) P-C4' energy: -15.241 flat angles C4'-P-C4' energy: -10.301 flat angles P-C4'-P energy: -9.164 tors. eta vs tors. theta energy: -16.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -180.443881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.443881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.443881 (E_RNA) where: Base-Base interactions energy: -121.451 where: short stacking energy: -67.089 Base-Backbone interact. energy: 0.400 local terms energy: -59.392649 where: bonds (distance) C4'-P energy: -10.121 bonds (distance) P-C4' energy: -11.046 flat angles C4'-P-C4' energy: -11.595 flat angles P-C4'-P energy: -8.764 tors. eta vs tors. theta energy: -17.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -172.045805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.045805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.045805 (E_RNA) where: Base-Base interactions energy: -110.966 where: short stacking energy: -50.578 Base-Backbone interact. energy: 0.030 local terms energy: -61.109911 where: bonds (distance) C4'-P energy: -13.313 bonds (distance) P-C4' energy: -15.234 flat angles C4'-P-C4' energy: -13.615 flat angles P-C4'-P energy: -8.806 tors. eta vs tors. theta energy: -10.143 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: 374 Temperature: 1.200000 Total energy: -171.090588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.090588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.090588 (E_RNA) where: Base-Base interactions energy: -111.021 where: short stacking energy: -44.028 Base-Backbone interact. energy: -0.024 local terms energy: -60.044993 where: bonds (distance) C4'-P energy: -14.289 bonds (distance) P-C4' energy: -14.839 flat angles C4'-P-C4' energy: -11.647 flat angles P-C4'-P energy: -6.283 tors. eta vs tors. theta energy: -12.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -171.711600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.711600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.711600 (E_RNA) where: Base-Base interactions energy: -107.905 where: short stacking energy: -47.936 Base-Backbone interact. energy: -0.159 local terms energy: -63.646903 where: bonds (distance) C4'-P energy: -11.081 bonds (distance) P-C4' energy: -14.753 flat angles C4'-P-C4' energy: -14.133 flat angles P-C4'-P energy: -13.102 tors. eta vs tors. theta energy: -10.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -82.531188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.531188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.531188 (E_RNA) where: Base-Base interactions energy: -29.654 where: short stacking energy: -29.654 Base-Backbone interact. energy: -0.738 local terms energy: -52.139098 where: bonds (distance) C4'-P energy: -14.301 bonds (distance) P-C4' energy: -11.525 flat angles C4'-P-C4' energy: -14.816 flat angles P-C4'-P energy: -7.058 tors. eta vs tors. theta energy: -4.439 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: 1 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -78.622167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.622167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.622167 (E_RNA) where: Base-Base interactions energy: -38.287 where: short stacking energy: -28.847 Base-Backbone interact. energy: 0.817 local terms energy: -41.152014 where: bonds (distance) C4'-P energy: -10.026 bonds (distance) P-C4' energy: -13.733 flat angles C4'-P-C4' energy: -12.334 flat angles P-C4'-P energy: -2.903 tors. eta vs tors. theta energy: -2.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -218.180817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.180817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.180817 (E_RNA) where: Base-Base interactions energy: -151.138 where: short stacking energy: -57.365 Base-Backbone interact. energy: -0.237 local terms energy: -66.805556 where: bonds (distance) C4'-P energy: -14.932 bonds (distance) P-C4' energy: -14.977 flat angles C4'-P-C4' energy: -12.922 flat angles P-C4'-P energy: -8.219 tors. eta vs tors. theta energy: -15.756 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: 10 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -217.366644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.366644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.366644 (E_RNA) where: Base-Base interactions energy: -145.791 where: short stacking energy: -66.608 Base-Backbone interact. energy: -0.041 local terms energy: -71.534137 where: bonds (distance) C4'-P energy: -14.606 bonds (distance) P-C4' energy: -14.153 flat angles C4'-P-C4' energy: -16.591 flat angles P-C4'-P energy: -6.675 tors. eta vs tors. theta energy: -19.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -198.077767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.077767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.077767 (E_RNA) where: Base-Base interactions energy: -136.407 where: short stacking energy: -54.742 Base-Backbone interact. energy: -0.100 local terms energy: -61.571266 where: bonds (distance) C4'-P energy: -10.923 bonds (distance) P-C4' energy: -10.876 flat angles C4'-P-C4' energy: -14.526 flat angles P-C4'-P energy: -12.500 tors. eta vs tors. theta energy: -12.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -203.471965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.471965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.471965 (E_RNA) where: Base-Base interactions energy: -134.226 where: short stacking energy: -60.335 Base-Backbone interact. energy: -1.436 local terms energy: -67.810444 where: bonds (distance) C4'-P energy: -15.322 bonds (distance) P-C4' energy: -14.862 flat angles C4'-P-C4' energy: -16.133 flat angles P-C4'-P energy: -5.738 tors. eta vs tors. theta energy: -15.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -191.547549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.547549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.547549 (E_RNA) where: Base-Base interactions energy: -132.966 where: short stacking energy: -56.724 Base-Backbone interact. energy: -0.363 local terms energy: -58.218623 where: bonds (distance) C4'-P energy: -11.352 bonds (distance) P-C4' energy: -12.887 flat angles C4'-P-C4' energy: -13.298 flat angles P-C4'-P energy: -6.695 tors. eta vs tors. theta energy: -13.986 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: 9 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -194.238150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.238150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.238150 (E_RNA) where: Base-Base interactions energy: -128.164 where: short stacking energy: -48.667 Base-Backbone interact. energy: -0.577 local terms energy: -65.496710 where: bonds (distance) C4'-P energy: -14.907 bonds (distance) P-C4' energy: -14.385 flat angles C4'-P-C4' energy: -13.408 flat angles P-C4'-P energy: -10.180 tors. eta vs tors. theta energy: -12.617 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: 7, replica: 4 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -182.735621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.735621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.735621 (E_RNA) where: Base-Base interactions energy: -122.839 where: short stacking energy: -47.641 Base-Backbone interact. energy: -0.139 local terms energy: -59.757875 where: bonds (distance) C4'-P energy: -14.402 bonds (distance) P-C4' energy: -11.199 flat angles C4'-P-C4' energy: -13.137 flat angles P-C4'-P energy: -6.752 tors. eta vs tors. theta energy: -14.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -156.604237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.604237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.604237 (E_RNA) where: Base-Base interactions energy: -106.732 where: short stacking energy: -43.064 Base-Backbone interact. energy: -0.556 local terms energy: -49.315608 where: bonds (distance) C4'-P energy: -13.226 bonds (distance) P-C4' energy: -13.381 flat angles C4'-P-C4' energy: -12.675 flat angles P-C4'-P energy: -4.908 tors. eta vs tors. theta energy: -5.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -77.193773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.193773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.193773 (E_RNA) where: Base-Base interactions energy: -27.683 where: short stacking energy: -25.599 Base-Backbone interact. energy: 0.250 local terms energy: -49.759951 where: bonds (distance) C4'-P energy: -13.963 bonds (distance) P-C4' energy: -11.983 flat angles C4'-P-C4' energy: -12.198 flat angles P-C4'-P energy: -8.390 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: 10, replica: 1 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -75.988339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.988339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.988339 (E_RNA) where: Base-Base interactions energy: -27.824 where: short stacking energy: -27.746 Base-Backbone interact. energy: -0.117 local terms energy: -48.047108 where: bonds (distance) C4'-P energy: -14.856 bonds (distance) P-C4' energy: -10.400 flat angles C4'-P-C4' energy: -14.831 flat angles P-C4'-P energy: -7.275 tors. eta vs tors. theta energy: -0.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -217.252344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.252344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.252344 (E_RNA) where: Base-Base interactions energy: -148.111 where: short stacking energy: -56.451 Base-Backbone interact. energy: -0.704 local terms energy: -68.437328 where: bonds (distance) C4'-P energy: -16.095 bonds (distance) P-C4' energy: -15.141 flat angles C4'-P-C4' energy: -15.136 flat angles P-C4'-P energy: -6.829 tors. eta vs tors. theta energy: -15.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -221.230481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.230481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.230481 (E_RNA) where: Base-Base interactions energy: -148.837 where: short stacking energy: -72.733 Base-Backbone interact. energy: -0.002 local terms energy: -72.391590 where: bonds (distance) C4'-P energy: -15.864 bonds (distance) P-C4' energy: -12.865 flat angles C4'-P-C4' energy: -13.215 flat angles P-C4'-P energy: -10.521 tors. eta vs tors. theta energy: -19.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -211.420275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.420275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.420275 (E_RNA) where: Base-Base interactions energy: -142.006 where: short stacking energy: -70.636 Base-Backbone interact. energy: -0.006 local terms energy: -69.407938 where: bonds (distance) C4'-P energy: -11.148 bonds (distance) P-C4' energy: -13.514 flat angles C4'-P-C4' energy: -16.555 flat angles P-C4'-P energy: -10.620 tors. eta vs tors. theta energy: -17.571 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: 6 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -201.592002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.592002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.592002 (E_RNA) where: Base-Base interactions energy: -136.473 where: short stacking energy: -58.859 Base-Backbone interact. energy: -0.100 local terms energy: -65.019160 where: bonds (distance) C4'-P energy: -14.944 bonds (distance) P-C4' energy: -16.618 flat angles C4'-P-C4' energy: -13.791 flat angles P-C4'-P energy: -4.870 tors. eta vs tors. theta energy: -14.796 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: 376 Temperature: 1.100000 Total energy: -187.451569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.451569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.451569 (E_RNA) where: Base-Base interactions energy: -126.853 where: short stacking energy: -49.514 Base-Backbone interact. energy: -0.015 local terms energy: -60.584036 where: bonds (distance) C4'-P energy: -12.970 bonds (distance) P-C4' energy: -11.861 flat angles C4'-P-C4' energy: -15.149 flat angles P-C4'-P energy: -7.678 tors. eta vs tors. theta energy: -12.927 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: 7 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -190.978249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.978249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.978249 (E_RNA) where: Base-Base interactions energy: -134.241 where: short stacking energy: -59.735 Base-Backbone interact. energy: -0.092 local terms energy: -56.645507 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -13.348 flat angles C4'-P-C4' energy: -17.106 flat angles P-C4'-P energy: -4.723 tors. eta vs tors. theta energy: -13.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -185.058072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.058072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.058072 (E_RNA) where: Base-Base interactions energy: -128.008 where: short stacking energy: -49.317 Base-Backbone interact. energy: -0.079 local terms energy: -56.970760 where: bonds (distance) C4'-P energy: -13.880 bonds (distance) P-C4' energy: -11.012 flat angles C4'-P-C4' energy: -15.321 flat angles P-C4'-P energy: -4.356 tors. eta vs tors. theta energy: -12.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -159.737809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.737809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.737809 (E_RNA) where: Base-Base interactions energy: -106.254 where: short stacking energy: -47.175 Base-Backbone interact. energy: -0.041 local terms energy: -53.442884 where: bonds (distance) C4'-P energy: -14.803 bonds (distance) P-C4' energy: -11.505 flat angles C4'-P-C4' energy: -14.599 flat angles P-C4'-P energy: -3.760 tors. eta vs tors. theta energy: -8.776 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: 9, replica: 1 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -91.456852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.456852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.456852 (E_RNA) where: Base-Base interactions energy: -50.647 where: short stacking energy: -24.653 Base-Backbone interact. energy: -0.094 local terms energy: -40.716496 where: bonds (distance) C4'-P energy: -4.790 bonds (distance) P-C4' energy: -13.997 flat angles C4'-P-C4' energy: -12.135 flat angles P-C4'-P energy: -5.645 tors. eta vs tors. theta energy: -4.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -69.531144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.531144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.531144 (E_RNA) where: Base-Base interactions energy: -18.439 where: short stacking energy: -14.575 Base-Backbone interact. energy: -0.047 local terms energy: -51.044190 where: bonds (distance) C4'-P energy: -14.621 bonds (distance) P-C4' energy: -16.612 flat angles C4'-P-C4' energy: -10.702 flat angles P-C4'-P energy: -10.472 tors. eta vs tors. theta energy: 1.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -221.065697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.065697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.065697 (E_RNA) where: Base-Base interactions energy: -152.262 where: short stacking energy: -54.660 Base-Backbone interact. energy: -0.187 local terms energy: -68.615975 where: bonds (distance) C4'-P energy: -13.438 bonds (distance) P-C4' energy: -13.620 flat angles C4'-P-C4' energy: -15.284 flat angles P-C4'-P energy: -12.158 tors. eta vs tors. theta energy: -14.116 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: 10 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -211.584941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.584941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.584941 (E_RNA) where: Base-Base interactions energy: -140.246 where: short stacking energy: -67.238 Base-Backbone interact. energy: -0.249 local terms energy: -71.090201 where: bonds (distance) C4'-P energy: -13.023 bonds (distance) P-C4' energy: -14.843 flat angles C4'-P-C4' energy: -14.748 flat angles P-C4'-P energy: -11.173 tors. eta vs tors. theta energy: -17.303 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: 3, replica: 5 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -217.820353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.820353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.820353 (E_RNA) where: Base-Base interactions energy: -142.184 where: short stacking energy: -70.870 Base-Backbone interact. energy: -0.033 local terms energy: -75.603285 where: bonds (distance) C4'-P energy: -11.297 bonds (distance) P-C4' energy: -16.181 flat angles C4'-P-C4' energy: -17.167 flat angles P-C4'-P energy: -10.489 tors. eta vs tors. theta energy: -20.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -203.680629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.680629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.680629 (E_RNA) where: Base-Base interactions energy: -139.203 where: short stacking energy: -60.051 Base-Backbone interact. energy: -0.079 local terms energy: -64.398285 where: bonds (distance) C4'-P energy: -13.379 bonds (distance) P-C4' energy: -14.638 flat angles C4'-P-C4' energy: -13.970 flat angles P-C4'-P energy: -9.189 tors. eta vs tors. theta energy: -13.221 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: 9 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -192.284229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.284229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.284229 (E_RNA) where: Base-Base interactions energy: -129.176 where: short stacking energy: -53.423 Base-Backbone interact. energy: 0.204 local terms energy: -63.311679 where: bonds (distance) C4'-P energy: -16.224 bonds (distance) P-C4' energy: -13.944 flat angles C4'-P-C4' energy: -12.749 flat angles P-C4'-P energy: -8.591 tors. eta vs tors. theta energy: -11.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -177.362326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.362326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.362326 (E_RNA) where: Base-Base interactions energy: -120.249 where: short stacking energy: -54.923 Base-Backbone interact. energy: -0.129 local terms energy: -56.984328 where: bonds (distance) C4'-P energy: -12.203 bonds (distance) P-C4' energy: -15.469 flat angles C4'-P-C4' energy: -16.569 flat angles P-C4'-P energy: -5.860 tors. eta vs tors. theta energy: -6.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -160.093289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.093289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.093289 (E_RNA) where: Base-Base interactions energy: -111.722 where: short stacking energy: -49.855 Base-Backbone interact. energy: -0.270 local terms energy: -48.100832 where: bonds (distance) C4'-P energy: -11.086 bonds (distance) P-C4' energy: -13.301 flat angles C4'-P-C4' energy: -11.703 flat angles P-C4'-P energy: -3.642 tors. eta vs tors. theta energy: -8.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -131.622909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.622909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.622909 (E_RNA) where: Base-Base interactions energy: -67.628 where: short stacking energy: -38.580 Base-Backbone interact. energy: -0.167 local terms energy: -63.827439 where: bonds (distance) C4'-P energy: -14.261 bonds (distance) P-C4' energy: -14.865 flat angles C4'-P-C4' energy: -15.566 flat angles P-C4'-P energy: -9.033 tors. eta vs tors. theta energy: -10.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -137.978643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.978643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.978643 (E_RNA) where: Base-Base interactions energy: -89.669 where: short stacking energy: -45.698 Base-Backbone interact. energy: -0.016 local terms energy: -48.293419 where: bonds (distance) C4'-P energy: -8.961 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -12.038 flat angles P-C4'-P energy: -9.729 tors. eta vs tors. theta energy: -9.766 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: 10, replica: 3 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -73.859752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.859752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.859752 (E_RNA) where: Base-Base interactions energy: -33.732 where: short stacking energy: -17.330 Base-Backbone interact. energy: -0.115 local terms energy: -40.012586 where: bonds (distance) C4'-P energy: -12.068 bonds (distance) P-C4' energy: -10.320 flat angles C4'-P-C4' energy: -6.808 flat angles P-C4'-P energy: -8.468 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: 1, replica: 10 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -213.107939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.107939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.107939 (E_RNA) where: Base-Base interactions energy: -135.944 where: short stacking energy: -72.029 Base-Backbone interact. energy: -0.464 local terms energy: -76.700096 where: bonds (distance) C4'-P energy: -12.465 bonds (distance) P-C4' energy: -17.821 flat angles C4'-P-C4' energy: -15.540 flat angles P-C4'-P energy: -8.617 tors. eta vs tors. theta energy: -22.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -191.327724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.327724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.327724 (E_RNA) where: Base-Base interactions energy: -124.132 where: short stacking energy: -53.711 Base-Backbone interact. energy: -0.116 local terms energy: -67.080027 where: bonds (distance) C4'-P energy: -11.462 bonds (distance) P-C4' energy: -17.753 flat angles C4'-P-C4' energy: -15.555 flat angles P-C4'-P energy: -9.931 tors. eta vs tors. theta energy: -12.379 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: 6 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -204.613756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.613756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.613756 (E_RNA) where: Base-Base interactions energy: -138.336 where: short stacking energy: -60.103 Base-Backbone interact. energy: -0.334 local terms energy: -65.943748 where: bonds (distance) C4'-P energy: -14.208 bonds (distance) P-C4' energy: -15.282 flat angles C4'-P-C4' energy: -11.845 flat angles P-C4'-P energy: -11.040 tors. eta vs tors. theta energy: -13.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -210.326967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.326967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.326967 (E_RNA) where: Base-Base interactions energy: -135.355 where: short stacking energy: -66.883 Base-Backbone interact. energy: 0.030 local terms energy: -75.001479 where: bonds (distance) C4'-P energy: -14.518 bonds (distance) P-C4' energy: -16.668 flat angles C4'-P-C4' energy: -15.656 flat angles P-C4'-P energy: -10.163 tors. eta vs tors. theta energy: -17.996 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: 9 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -200.356931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.356931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.356931 (E_RNA) where: Base-Base interactions energy: -137.218 where: short stacking energy: -61.781 Base-Backbone interact. energy: -0.007 local terms energy: -63.132165 where: bonds (distance) C4'-P energy: -14.820 bonds (distance) P-C4' energy: -13.352 flat angles C4'-P-C4' energy: -10.218 flat angles P-C4'-P energy: -8.014 tors. eta vs tors. theta energy: -16.728 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: 4 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -167.052478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.052478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.052478 (E_RNA) where: Base-Base interactions energy: -112.484 where: short stacking energy: -51.797 Base-Backbone interact. energy: -0.019 local terms energy: -54.549657 where: bonds (distance) C4'-P energy: -12.258 bonds (distance) P-C4' energy: -12.557 flat angles C4'-P-C4' energy: -15.322 flat angles P-C4'-P energy: -5.683 tors. eta vs tors. theta energy: -8.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -154.663474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.663474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.663474 (E_RNA) where: Base-Base interactions energy: -96.621 where: short stacking energy: -45.191 Base-Backbone interact. energy: -0.103 local terms energy: -57.939687 where: bonds (distance) C4'-P energy: -10.319 bonds (distance) P-C4' energy: -14.247 flat angles C4'-P-C4' energy: -16.405 flat angles P-C4'-P energy: -5.355 tors. eta vs tors. theta energy: -11.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -159.617256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.617256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.617256 (E_RNA) where: Base-Base interactions energy: -107.003 where: short stacking energy: -46.262 Base-Backbone interact. energy: -0.921 local terms energy: -51.693291 where: bonds (distance) C4'-P energy: -14.795 bonds (distance) P-C4' energy: -6.940 flat angles C4'-P-C4' energy: -13.026 flat angles P-C4'-P energy: -10.635 tors. eta vs tors. theta energy: -6.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -123.038612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -123.038612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -123.038612 (E_RNA) where: Base-Base interactions energy: -74.632 where: short stacking energy: -35.566 Base-Backbone interact. energy: 0.252 local terms energy: -48.658117 where: bonds (distance) C4'-P energy: -10.338 bonds (distance) P-C4' energy: -13.035 flat angles C4'-P-C4' energy: -12.406 flat angles P-C4'-P energy: -10.367 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: 10, replica: 3 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -77.936612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.936612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.936612 (E_RNA) where: Base-Base interactions energy: -29.955 where: short stacking energy: -25.361 Base-Backbone interact. energy: -0.610 local terms energy: -47.371768 where: bonds (distance) C4'-P energy: -13.247 bonds (distance) P-C4' energy: -16.548 flat angles C4'-P-C4' energy: -14.106 flat angles P-C4'-P energy: -8.351 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: 1, replica: 10 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -223.140706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.140706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.140706 (E_RNA) where: Base-Base interactions energy: -153.327 where: short stacking energy: -59.154 Base-Backbone interact. energy: -0.444 local terms energy: -69.369684 where: bonds (distance) C4'-P energy: -15.275 bonds (distance) P-C4' energy: -15.333 flat angles C4'-P-C4' energy: -14.236 flat angles P-C4'-P energy: -7.714 tors. eta vs tors. theta energy: -16.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -201.237705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.237705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.237705 (E_RNA) where: Base-Base interactions energy: -131.163 where: short stacking energy: -56.923 Base-Backbone interact. energy: -0.006 local terms energy: -70.068636 where: bonds (distance) C4'-P energy: -15.796 bonds (distance) P-C4' energy: -14.193 flat angles C4'-P-C4' energy: -15.794 flat angles P-C4'-P energy: -9.254 tors. eta vs tors. theta energy: -15.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -202.053525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.053525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.053525 (E_RNA) where: Base-Base interactions energy: -131.451 where: short stacking energy: -60.103 Base-Backbone interact. energy: -0.005 local terms energy: -70.597482 where: bonds (distance) C4'-P energy: -12.957 bonds (distance) P-C4' energy: -14.804 flat angles C4'-P-C4' energy: -15.030 flat angles P-C4'-P energy: -9.558 tors. eta vs tors. theta energy: -18.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -209.354780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.354780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.354780 (E_RNA) where: Base-Base interactions energy: -140.725 where: short stacking energy: -68.221 Base-Backbone interact. energy: -0.000 local terms energy: -68.629223 where: bonds (distance) C4'-P energy: -11.729 bonds (distance) P-C4' energy: -15.367 flat angles C4'-P-C4' energy: -14.697 flat angles P-C4'-P energy: -5.991 tors. eta vs tors. theta energy: -20.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -187.224980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.224980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.224980 (E_RNA) where: Base-Base interactions energy: -117.290 where: short stacking energy: -58.455 Base-Backbone interact. energy: -0.029 local terms energy: -69.905881 where: bonds (distance) C4'-P energy: -13.457 bonds (distance) P-C4' energy: -13.015 flat angles C4'-P-C4' energy: -15.312 flat angles P-C4'-P energy: -9.123 tors. eta vs tors. theta energy: -18.999 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: 1 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -161.129326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.129326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.129326 (E_RNA) where: Base-Base interactions energy: -105.642 where: short stacking energy: -59.222 Base-Backbone interact. energy: -0.053 local terms energy: -55.434597 where: bonds (distance) C4'-P energy: -11.243 bonds (distance) P-C4' energy: -14.201 flat angles C4'-P-C4' energy: -9.253 flat angles P-C4'-P energy: -5.280 tors. eta vs tors. theta energy: -15.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -163.313936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.313936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.313936 (E_RNA) where: Base-Base interactions energy: -103.222 where: short stacking energy: -44.073 Base-Backbone interact. energy: -0.137 local terms energy: -59.955503 where: bonds (distance) C4'-P energy: -14.813 bonds (distance) P-C4' energy: -15.645 flat angles C4'-P-C4' energy: -12.560 flat angles P-C4'-P energy: -6.912 tors. eta vs tors. theta energy: -10.026 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: 7 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -166.828350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.828350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.828350 (E_RNA) where: Base-Base interactions energy: -104.381 where: short stacking energy: -46.316 Base-Backbone interact. energy: -1.178 local terms energy: -61.269746 where: bonds (distance) C4'-P energy: -12.022 bonds (distance) P-C4' energy: -12.512 flat angles C4'-P-C4' energy: -13.530 flat angles P-C4'-P energy: -12.808 tors. eta vs tors. theta energy: -10.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -121.971455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.971455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.971455 (E_RNA) where: Base-Base interactions energy: -72.954 where: short stacking energy: -31.999 Base-Backbone interact. energy: -0.052 local terms energy: -48.965399 where: bonds (distance) C4'-P energy: -16.037 bonds (distance) P-C4' energy: -12.908 flat angles C4'-P-C4' energy: -12.219 flat angles P-C4'-P energy: -7.755 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: 10, replica: 3 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -72.903952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.903952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.903952 (E_RNA) where: Base-Base interactions energy: -31.099 where: short stacking energy: -31.099 Base-Backbone interact. energy: -0.247 local terms energy: -41.557523 where: bonds (distance) C4'-P energy: -13.487 bonds (distance) P-C4' energy: -11.713 flat angles C4'-P-C4' energy: -11.649 flat angles P-C4'-P energy: -7.152 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: 1, replica: 2 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -203.374270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.374270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.374270 (E_RNA) where: Base-Base interactions energy: -137.615 where: short stacking energy: -55.542 Base-Backbone interact. energy: -0.303 local terms energy: -65.456053 where: bonds (distance) C4'-P energy: -14.809 bonds (distance) P-C4' energy: -12.373 flat angles C4'-P-C4' energy: -13.640 flat angles P-C4'-P energy: -10.647 tors. eta vs tors. theta energy: -13.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -207.195533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.195533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.195533 (E_RNA) where: Base-Base interactions energy: -136.531 where: short stacking energy: -68.548 Base-Backbone interact. energy: -0.151 local terms energy: -70.513528 where: bonds (distance) C4'-P energy: -12.965 bonds (distance) P-C4' energy: -13.765 flat angles C4'-P-C4' energy: -13.986 flat angles P-C4'-P energy: -8.496 tors. eta vs tors. theta energy: -21.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -214.323012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.323012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.323012 (E_RNA) where: Base-Base interactions energy: -136.782 where: short stacking energy: -62.289 Base-Backbone interact. energy: -0.007 local terms energy: -77.533839 where: bonds (distance) C4'-P energy: -14.183 bonds (distance) P-C4' energy: -15.514 flat angles C4'-P-C4' energy: -15.368 flat angles P-C4'-P energy: -11.385 tors. eta vs tors. theta energy: -21.083 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: 380 Temperature: 1.050000 Total energy: -194.020949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.020949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.020949 (E_RNA) where: Base-Base interactions energy: -131.430 where: short stacking energy: -54.744 Base-Backbone interact. energy: 1.423 local terms energy: -64.013742 where: bonds (distance) C4'-P energy: -15.892 bonds (distance) P-C4' energy: -8.924 flat angles C4'-P-C4' energy: -16.040 flat angles P-C4'-P energy: -9.239 tors. eta vs tors. theta energy: -13.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -172.188980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.188980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.188980 (E_RNA) where: Base-Base interactions energy: -123.380 where: short stacking energy: -50.576 Base-Backbone interact. energy: -0.109 local terms energy: -48.700069 where: bonds (distance) C4'-P energy: -7.528 bonds (distance) P-C4' energy: -11.585 flat angles C4'-P-C4' energy: -11.796 flat angles P-C4'-P energy: -10.382 tors. eta vs tors. theta energy: -7.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -182.196615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.196615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.196615 (E_RNA) where: Base-Base interactions energy: -123.842 where: short stacking energy: -48.271 Base-Backbone interact. energy: -0.007 local terms energy: -58.347767 where: bonds (distance) C4'-P energy: -10.578 bonds (distance) P-C4' energy: -13.712 flat angles C4'-P-C4' energy: -12.111 flat angles P-C4'-P energy: -7.112 tors. eta vs tors. theta energy: -14.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -161.945777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.945777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.945777 (E_RNA) where: Base-Base interactions energy: -106.692 where: short stacking energy: -45.711 Base-Backbone interact. energy: 2.590 local terms energy: -57.843888 where: bonds (distance) C4'-P energy: -12.941 bonds (distance) P-C4' energy: -13.554 flat angles C4'-P-C4' energy: -13.999 flat angles P-C4'-P energy: -8.421 tors. eta vs tors. theta energy: -8.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -160.386415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.386415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.386415 (E_RNA) where: Base-Base interactions energy: -103.932 where: short stacking energy: -52.365 Base-Backbone interact. energy: -0.006 local terms energy: -56.448209 where: bonds (distance) C4'-P energy: -14.813 bonds (distance) P-C4' energy: -8.704 flat angles C4'-P-C4' energy: -12.240 flat angles P-C4'-P energy: -8.847 tors. eta vs tors. theta energy: -11.844 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: 3 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -74.175663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.175663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.175663 (E_RNA) where: Base-Base interactions energy: -28.182 where: short stacking energy: -26.388 Base-Backbone interact. energy: -0.444 local terms energy: -45.549678 where: bonds (distance) C4'-P energy: -10.607 bonds (distance) P-C4' energy: -12.489 flat angles C4'-P-C4' energy: -9.748 flat angles P-C4'-P energy: -10.005 tors. eta vs tors. theta energy: -2.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -114.562115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.562115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.562115 (E_RNA) where: Base-Base interactions energy: -66.430 where: short stacking energy: -34.726 Base-Backbone interact. energy: -0.848 local terms energy: -47.284442 where: bonds (distance) C4'-P energy: -12.891 bonds (distance) P-C4' energy: -15.799 flat angles C4'-P-C4' energy: -5.281 flat angles P-C4'-P energy: -9.359 tors. eta vs tors. theta energy: -3.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -220.072051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.072051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.072051 (E_RNA) where: Base-Base interactions energy: -145.990 where: short stacking energy: -67.345 Base-Backbone interact. energy: -0.011 local terms energy: -74.070596 where: bonds (distance) C4'-P energy: -12.849 bonds (distance) P-C4' energy: -17.062 flat angles C4'-P-C4' energy: -16.861 flat angles P-C4'-P energy: -7.269 tors. eta vs tors. theta energy: -20.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -202.211638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.211638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.211638 (E_RNA) where: Base-Base interactions energy: -127.983 where: short stacking energy: -68.998 Base-Backbone interact. energy: -0.000 local terms energy: -74.227831 where: bonds (distance) C4'-P energy: -14.298 bonds (distance) P-C4' energy: -16.376 flat angles C4'-P-C4' energy: -15.210 flat angles P-C4'-P energy: -9.830 tors. eta vs tors. theta energy: -18.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -184.916739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.916739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.916739 (E_RNA) where: Base-Base interactions energy: -114.196 where: short stacking energy: -52.799 Base-Backbone interact. energy: -0.075 local terms energy: -70.645821 where: bonds (distance) C4'-P energy: -13.968 bonds (distance) P-C4' energy: -17.588 flat angles C4'-P-C4' energy: -14.509 flat angles P-C4'-P energy: -9.644 tors. eta vs tors. theta energy: -14.937 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: 6 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -193.273247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.273247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.273247 (E_RNA) where: Base-Base interactions energy: -125.584 where: short stacking energy: -52.542 Base-Backbone interact. energy: -0.159 local terms energy: -67.530747 where: bonds (distance) C4'-P energy: -14.018 bonds (distance) P-C4' energy: -15.290 flat angles C4'-P-C4' energy: -13.824 flat angles P-C4'-P energy: -8.581 tors. eta vs tors. theta energy: -15.818 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: 1 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -184.683747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.683747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.683747 (E_RNA) where: Base-Base interactions energy: -127.126 where: short stacking energy: -50.280 Base-Backbone interact. energy: -0.259 local terms energy: -57.299107 where: bonds (distance) C4'-P energy: -12.738 bonds (distance) P-C4' energy: -14.430 flat angles C4'-P-C4' energy: -12.359 flat angles P-C4'-P energy: -7.590 tors. eta vs tors. theta energy: -10.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -179.671681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.671681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.671681 (E_RNA) where: Base-Base interactions energy: -128.067 where: short stacking energy: -49.959 Base-Backbone interact. energy: 1.058 local terms energy: -52.662729 where: bonds (distance) C4'-P energy: -11.893 bonds (distance) P-C4' energy: -13.134 flat angles C4'-P-C4' energy: -12.914 flat angles P-C4'-P energy: -8.156 tors. eta vs tors. theta energy: -6.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -176.467518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.467518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.467518 (E_RNA) where: Base-Base interactions energy: -116.072 where: short stacking energy: -56.918 Base-Backbone interact. energy: -0.002 local terms energy: -60.393820 where: bonds (distance) C4'-P energy: -12.618 bonds (distance) P-C4' energy: -14.324 flat angles C4'-P-C4' energy: -11.121 flat angles P-C4'-P energy: -6.634 tors. eta vs tors. theta energy: -15.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -80.524954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.524954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.524954 (E_RNA) where: Base-Base interactions energy: -33.291 where: short stacking energy: -33.291 Base-Backbone interact. energy: -0.402 local terms energy: -46.832224 where: bonds (distance) C4'-P energy: -11.906 bonds (distance) P-C4' energy: -11.039 flat angles C4'-P-C4' energy: -11.491 flat angles P-C4'-P energy: -8.085 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: 9, replica: 4 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -149.920013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.920013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.920013 (E_RNA) where: Base-Base interactions energy: -98.129 where: short stacking energy: -44.130 Base-Backbone interact. energy: 0.584 local terms energy: -52.374785 where: bonds (distance) C4'-P energy: -7.584 bonds (distance) P-C4' energy: -13.396 flat angles C4'-P-C4' energy: -13.229 flat angles P-C4'-P energy: -10.907 tors. eta vs tors. theta energy: -7.259 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: 8 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -138.622365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.622365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.622365 (E_RNA) where: Base-Base interactions energy: -84.896 where: short stacking energy: -45.057 Base-Backbone interact. energy: -0.056 local terms energy: -53.669836 where: bonds (distance) C4'-P energy: -13.772 bonds (distance) P-C4' energy: -8.690 flat angles C4'-P-C4' energy: -8.762 flat angles P-C4'-P energy: -10.241 tors. eta vs tors. theta energy: -12.205 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: 2 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -220.209104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.209104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.209104 (E_RNA) where: Base-Base interactions energy: -144.545 where: short stacking energy: -71.095 Base-Backbone interact. energy: -0.001 local terms energy: -75.663706 where: bonds (distance) C4'-P energy: -14.625 bonds (distance) P-C4' energy: -12.164 flat angles C4'-P-C4' energy: -16.328 flat angles P-C4'-P energy: -10.189 tors. eta vs tors. theta energy: -22.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -197.439832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.439832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.439832 (E_RNA) where: Base-Base interactions energy: -125.225 where: short stacking energy: -68.829 Base-Backbone interact. energy: -0.083 local terms energy: -72.132326 where: bonds (distance) C4'-P energy: -14.712 bonds (distance) P-C4' energy: -12.836 flat angles C4'-P-C4' energy: -17.707 flat angles P-C4'-P energy: -8.367 tors. eta vs tors. theta energy: -18.509 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: 6 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -199.578425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.578425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.578425 (E_RNA) where: Base-Base interactions energy: -131.700 where: short stacking energy: -52.978 Base-Backbone interact. energy: -0.341 local terms energy: -67.537535 where: bonds (distance) C4'-P energy: -15.879 bonds (distance) P-C4' energy: -15.157 flat angles C4'-P-C4' energy: -11.655 flat angles P-C4'-P energy: -9.063 tors. eta vs tors. theta energy: -15.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -194.661652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.661652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.661652 (E_RNA) where: Base-Base interactions energy: -123.175 where: short stacking energy: -63.098 Base-Backbone interact. energy: -0.048 local terms energy: -71.438072 where: bonds (distance) C4'-P energy: -12.378 bonds (distance) P-C4' energy: -15.526 flat angles C4'-P-C4' energy: -14.811 flat angles P-C4'-P energy: -10.714 tors. eta vs tors. theta energy: -18.009 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: 1 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -187.665328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.665328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.665328 (E_RNA) where: Base-Base interactions energy: -133.655 where: short stacking energy: -57.927 Base-Backbone interact. energy: -0.216 local terms energy: -53.795136 where: bonds (distance) C4'-P energy: -12.618 bonds (distance) P-C4' energy: -10.093 flat angles C4'-P-C4' energy: -14.040 flat angles P-C4'-P energy: -3.550 tors. eta vs tors. theta energy: -13.494 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: 7 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -172.896069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.896069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.896069 (E_RNA) where: Base-Base interactions energy: -106.298 where: short stacking energy: -48.581 Base-Backbone interact. energy: -1.144 local terms energy: -65.454737 where: bonds (distance) C4'-P energy: -16.042 bonds (distance) P-C4' energy: -14.420 flat angles C4'-P-C4' energy: -14.885 flat angles P-C4'-P energy: -6.741 tors. eta vs tors. theta energy: -13.367 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: 9 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -179.692134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.692134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.692134 (E_RNA) where: Base-Base interactions energy: -122.159 where: short stacking energy: -43.590 Base-Backbone interact. energy: -0.009 local terms energy: -57.523925 where: bonds (distance) C4'-P energy: -10.025 bonds (distance) P-C4' energy: -16.008 flat angles C4'-P-C4' energy: -9.117 flat angles P-C4'-P energy: -9.853 tors. eta vs tors. theta energy: -12.521 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: 3 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -95.661192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.661192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.661192 (E_RNA) where: Base-Base interactions energy: -44.350 where: short stacking energy: -27.694 Base-Backbone interact. energy: -0.042 local terms energy: -51.269486 where: bonds (distance) C4'-P energy: -15.776 bonds (distance) P-C4' energy: -12.014 flat angles C4'-P-C4' energy: -9.792 flat angles P-C4'-P energy: -9.405 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: 9, replica: 4 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -153.677117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.677117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.677117 (E_RNA) where: Base-Base interactions energy: -96.921 where: short stacking energy: -40.019 Base-Backbone interact. energy: -0.110 local terms energy: -56.645965 where: bonds (distance) C4'-P energy: -14.792 bonds (distance) P-C4' energy: -9.362 flat angles C4'-P-C4' energy: -13.624 flat angles P-C4'-P energy: -10.400 tors. eta vs tors. theta energy: -8.469 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: 8 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -83.349556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.349556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.349556 (E_RNA) where: Base-Base interactions energy: -40.352 where: short stacking energy: -16.888 Base-Backbone interact. energy: -0.442 local terms energy: -42.555571 where: bonds (distance) C4'-P energy: -16.985 bonds (distance) P-C4' energy: -11.259 flat angles C4'-P-C4' energy: -10.994 flat angles P-C4'-P energy: -6.831 tors. eta vs tors. theta energy: 3.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -215.195496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.195496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.195496 (E_RNA) where: Base-Base interactions energy: -145.673 where: short stacking energy: -70.062 Base-Backbone interact. energy: -0.000 local terms energy: -69.522267 where: bonds (distance) C4'-P energy: -14.350 bonds (distance) P-C4' energy: -15.358 flat angles C4'-P-C4' energy: -11.615 flat angles P-C4'-P energy: -11.992 tors. eta vs tors. theta energy: -16.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -201.985844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.985844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.985844 (E_RNA) where: Base-Base interactions energy: -138.229 where: short stacking energy: -54.677 Base-Backbone interact. energy: -0.107 local terms energy: -63.649723 where: bonds (distance) C4'-P energy: -14.220 bonds (distance) P-C4' energy: -14.165 flat angles C4'-P-C4' energy: -13.763 flat angles P-C4'-P energy: -10.761 tors. eta vs tors. theta energy: -10.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -187.806801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.806801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.806801 (E_RNA) where: Base-Base interactions energy: -115.096 where: short stacking energy: -60.381 Base-Backbone interact. energy: -0.002 local terms energy: -72.708866 where: bonds (distance) C4'-P energy: -15.842 bonds (distance) P-C4' energy: -16.249 flat angles C4'-P-C4' energy: -15.640 flat angles P-C4'-P energy: -8.932 tors. eta vs tors. theta energy: -16.046 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: 1 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -179.009647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.009647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.009647 (E_RNA) where: Base-Base interactions energy: -112.864 where: short stacking energy: -59.734 Base-Backbone interact. energy: -0.182 local terms energy: -65.962788 where: bonds (distance) C4'-P energy: -14.672 bonds (distance) P-C4' energy: -11.207 flat angles C4'-P-C4' energy: -16.879 flat angles P-C4'-P energy: -10.217 tors. eta vs tors. theta energy: -12.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -176.612183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.612183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.612183 (E_RNA) where: Base-Base interactions energy: -113.851 where: short stacking energy: -53.645 Base-Backbone interact. energy: -0.733 local terms energy: -62.028758 where: bonds (distance) C4'-P energy: -13.686 bonds (distance) P-C4' energy: -16.231 flat angles C4'-P-C4' energy: -10.785 flat angles P-C4'-P energy: -8.546 tors. eta vs tors. theta energy: -12.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -165.825550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.825550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.825550 (E_RNA) where: Base-Base interactions energy: -119.100 where: short stacking energy: -46.119 Base-Backbone interact. energy: -0.182 local terms energy: -46.544158 where: bonds (distance) C4'-P energy: -8.458 bonds (distance) P-C4' energy: -12.058 flat angles C4'-P-C4' energy: -9.546 flat angles P-C4'-P energy: -5.874 tors. eta vs tors. theta energy: -10.608 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: 7, replica: 7 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -168.040413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.040413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.040413 (E_RNA) where: Base-Base interactions energy: -106.801 where: short stacking energy: -39.765 Base-Backbone interact. energy: -0.095 local terms energy: -61.144273 where: bonds (distance) C4'-P energy: -11.404 bonds (distance) P-C4' energy: -16.039 flat angles C4'-P-C4' energy: -15.455 flat angles P-C4'-P energy: -6.808 tors. eta vs tors. theta energy: -11.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -168.193864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.193864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.193864 (E_RNA) where: Base-Base interactions energy: -107.075 where: short stacking energy: -44.829 Base-Backbone interact. energy: -0.214 local terms energy: -60.904859 where: bonds (distance) C4'-P energy: -11.152 bonds (distance) P-C4' energy: -14.519 flat angles C4'-P-C4' energy: -12.894 flat angles P-C4'-P energy: -9.715 tors. eta vs tors. theta energy: -12.624 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: 3 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -91.507224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.507224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.507224 (E_RNA) where: Base-Base interactions energy: -33.533 where: short stacking energy: -34.033 Base-Backbone interact. energy: -0.091 local terms energy: -57.883361 where: bonds (distance) C4'-P energy: -14.012 bonds (distance) P-C4' energy: -15.753 flat angles C4'-P-C4' energy: -13.861 flat angles P-C4'-P energy: -4.031 tors. eta vs tors. theta energy: -10.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -91.985876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.985876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.985876 (E_RNA) where: Base-Base interactions energy: -46.752 where: short stacking energy: -35.223 Base-Backbone interact. energy: -0.853 local terms energy: -44.380594 where: bonds (distance) C4'-P energy: -10.754 bonds (distance) P-C4' energy: -8.988 flat angles C4'-P-C4' energy: -13.892 flat angles P-C4'-P energy: -7.676 tors. eta vs tors. theta energy: -3.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -212.873372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.873372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.873372 (E_RNA) where: Base-Base interactions energy: -136.984 where: short stacking energy: -68.856 Base-Backbone interact. energy: -0.002 local terms energy: -75.887384 where: bonds (distance) C4'-P energy: -16.045 bonds (distance) P-C4' energy: -15.733 flat angles C4'-P-C4' energy: -16.594 flat angles P-C4'-P energy: -11.052 tors. eta vs tors. theta energy: -16.462 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: 6 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -196.355344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.355344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.355344 (E_RNA) where: Base-Base interactions energy: -134.133 where: short stacking energy: -58.950 Base-Backbone interact. energy: -0.276 local terms energy: -61.946657 where: bonds (distance) C4'-P energy: -9.691 bonds (distance) P-C4' energy: -13.020 flat angles C4'-P-C4' energy: -12.020 flat angles P-C4'-P energy: -11.680 tors. eta vs tors. theta energy: -15.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -189.348532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.348532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.348532 (E_RNA) where: Base-Base interactions energy: -122.079 where: short stacking energy: -63.884 Base-Backbone interact. energy: -0.003 local terms energy: -67.266031 where: bonds (distance) C4'-P energy: -13.294 bonds (distance) P-C4' energy: -14.398 flat angles C4'-P-C4' energy: -16.766 flat angles P-C4'-P energy: -8.281 tors. eta vs tors. theta energy: -14.526 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: 5 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -189.528541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.528541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.528541 (E_RNA) where: Base-Base interactions energy: -117.058 where: short stacking energy: -63.042 Base-Backbone interact. energy: -0.001 local terms energy: -72.468924 where: bonds (distance) C4'-P energy: -15.366 bonds (distance) P-C4' energy: -11.548 flat angles C4'-P-C4' energy: -15.333 flat angles P-C4'-P energy: -9.911 tors. eta vs tors. theta energy: -20.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -178.608046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.608046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.608046 (E_RNA) where: Base-Base interactions energy: -122.032 where: short stacking energy: -47.097 Base-Backbone interact. energy: -0.226 local terms energy: -56.349520 where: bonds (distance) C4'-P energy: -11.872 bonds (distance) P-C4' energy: -10.819 flat angles C4'-P-C4' energy: -14.448 flat angles P-C4'-P energy: -9.398 tors. eta vs tors. theta energy: -9.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -168.501965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.501965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.501965 (E_RNA) where: Base-Base interactions energy: -101.934 where: short stacking energy: -47.191 Base-Backbone interact. energy: -0.622 local terms energy: -65.946034 where: bonds (distance) C4'-P energy: -14.295 bonds (distance) P-C4' energy: -15.442 flat angles C4'-P-C4' energy: -16.065 flat angles P-C4'-P energy: -7.157 tors. eta vs tors. theta energy: -12.986 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: 4 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -165.162760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.162760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.162760 (E_RNA) where: Base-Base interactions energy: -105.544 where: short stacking energy: -43.748 Base-Backbone interact. energy: -0.080 local terms energy: -59.539411 where: bonds (distance) C4'-P energy: -13.326 bonds (distance) P-C4' energy: -15.055 flat angles C4'-P-C4' energy: -11.870 flat angles P-C4'-P energy: -9.940 tors. eta vs tors. theta energy: -9.348 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: 7 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -154.718530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.718530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.718530 (E_RNA) where: Base-Base interactions energy: -102.513 where: short stacking energy: -42.548 Base-Backbone interact. energy: -0.154 local terms energy: -52.051533 where: bonds (distance) C4'-P energy: -14.329 bonds (distance) P-C4' energy: -11.517 flat angles C4'-P-C4' energy: -15.857 flat angles P-C4'-P energy: -5.080 tors. eta vs tors. theta energy: -5.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -80.959091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.959091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.959091 (E_RNA) where: Base-Base interactions energy: -40.997 where: short stacking energy: -40.997 Base-Backbone interact. energy: -0.057 local terms energy: -39.905085 where: bonds (distance) C4'-P energy: -5.489 bonds (distance) P-C4' energy: -10.885 flat angles C4'-P-C4' energy: -11.432 flat angles P-C4'-P energy: -4.445 tors. eta vs tors. theta energy: -7.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -78.579395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.579395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.579395 (E_RNA) where: Base-Base interactions energy: -30.722 where: short stacking energy: -30.192 Base-Backbone interact. energy: -0.077 local terms energy: -47.780172 where: bonds (distance) C4'-P energy: -13.379 bonds (distance) P-C4' energy: -10.350 flat angles C4'-P-C4' energy: -6.931 flat angles P-C4'-P energy: -11.062 tors. eta vs tors. theta energy: -6.058 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: 1, replica: 2 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -213.404053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.404053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.404053 (E_RNA) where: Base-Base interactions energy: -142.586 where: short stacking energy: -71.295 Base-Backbone interact. energy: -0.157 local terms energy: -70.660829 where: bonds (distance) C4'-P energy: -15.681 bonds (distance) P-C4' energy: -16.454 flat angles C4'-P-C4' energy: -10.410 flat angles P-C4'-P energy: -7.592 tors. eta vs tors. theta energy: -20.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -196.169497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.169497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.169497 (E_RNA) where: Base-Base interactions energy: -130.467 where: short stacking energy: -64.159 Base-Backbone interact. energy: -0.002 local terms energy: -65.700959 where: bonds (distance) C4'-P energy: -15.557 bonds (distance) P-C4' energy: -13.643 flat angles C4'-P-C4' energy: -14.103 flat angles P-C4'-P energy: -6.662 tors. eta vs tors. theta energy: -15.735 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: 6 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -197.043034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.043034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.043034 (E_RNA) where: Base-Base interactions energy: -142.871 where: short stacking energy: -50.236 Base-Backbone interact. energy: -0.088 local terms energy: -54.083828 where: bonds (distance) C4'-P energy: -13.290 bonds (distance) P-C4' energy: -13.730 flat angles C4'-P-C4' energy: -12.460 flat angles P-C4'-P energy: -5.144 tors. eta vs tors. theta energy: -9.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -189.198095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.198095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.198095 (E_RNA) where: Base-Base interactions energy: -130.367 where: short stacking energy: -59.242 Base-Backbone interact. energy: -0.392 local terms energy: -58.439320 where: bonds (distance) C4'-P energy: -11.822 bonds (distance) P-C4' energy: -12.935 flat angles C4'-P-C4' energy: -11.665 flat angles P-C4'-P energy: -8.276 tors. eta vs tors. theta energy: -13.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -181.773329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.773329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.773329 (E_RNA) where: Base-Base interactions energy: -115.531 where: short stacking energy: -52.792 Base-Backbone interact. energy: 0.974 local terms energy: -67.217088 where: bonds (distance) C4'-P energy: -16.464 bonds (distance) P-C4' energy: -14.964 flat angles C4'-P-C4' energy: -15.505 flat angles P-C4'-P energy: -8.519 tors. eta vs tors. theta energy: -11.765 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: 6, replica: 10 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -197.773486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.773486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.773486 (E_RNA) where: Base-Base interactions energy: -126.656 where: short stacking energy: -57.999 Base-Backbone interact. energy: -0.093 local terms energy: -71.023766 where: bonds (distance) C4'-P energy: -14.096 bonds (distance) P-C4' energy: -16.731 flat angles C4'-P-C4' energy: -12.096 flat angles P-C4'-P energy: -10.095 tors. eta vs tors. theta energy: -18.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -152.407637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.407637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.407637 (E_RNA) where: Base-Base interactions energy: -100.120 where: short stacking energy: -45.825 Base-Backbone interact. energy: -0.046 local terms energy: -52.241767 where: bonds (distance) C4'-P energy: -12.238 bonds (distance) P-C4' energy: -11.497 flat angles C4'-P-C4' energy: -10.544 flat angles P-C4'-P energy: -9.396 tors. eta vs tors. theta energy: -8.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -163.443472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.443472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.443472 (E_RNA) where: Base-Base interactions energy: -99.996 where: short stacking energy: -46.949 Base-Backbone interact. energy: -0.036 local terms energy: -63.410933 where: bonds (distance) C4'-P energy: -14.236 bonds (distance) P-C4' energy: -10.694 flat angles C4'-P-C4' energy: -15.016 flat angles P-C4'-P energy: -11.047 tors. eta vs tors. theta energy: -12.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -80.688011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.688011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.688011 (E_RNA) where: Base-Base interactions energy: -30.469 where: short stacking energy: -29.546 Base-Backbone interact. energy: 0.046 local terms energy: -50.264321 where: bonds (distance) C4'-P energy: -11.507 bonds (distance) P-C4' energy: -16.428 flat angles C4'-P-C4' energy: -7.219 flat angles P-C4'-P energy: -10.488 tors. eta vs tors. theta energy: -4.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -74.011382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.011382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.011382 (E_RNA) where: Base-Base interactions energy: -23.773 where: short stacking energy: -22.386 Base-Backbone interact. energy: 0.070 local terms energy: -50.308990 where: bonds (distance) C4'-P energy: -13.065 bonds (distance) P-C4' energy: -14.389 flat angles C4'-P-C4' energy: -11.838 flat angles P-C4'-P energy: -6.778 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: 1, replica: 1 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -195.475991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.475991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.475991 (E_RNA) where: Base-Base interactions energy: -122.373 where: short stacking energy: -66.612 Base-Backbone interact. energy: -0.015 local terms energy: -73.088758 where: bonds (distance) C4'-P energy: -16.277 bonds (distance) P-C4' energy: -14.962 flat angles C4'-P-C4' energy: -14.243 flat angles P-C4'-P energy: -10.095 tors. eta vs tors. theta energy: -17.512 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: 386 Temperature: 0.950000 Total energy: -211.046622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.046622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.046622 (E_RNA) where: Base-Base interactions energy: -141.127 where: short stacking energy: -50.782 Base-Backbone interact. energy: -0.078 local terms energy: -69.841029 where: bonds (distance) C4'-P energy: -16.017 bonds (distance) P-C4' energy: -16.385 flat angles C4'-P-C4' energy: -14.916 flat angles P-C4'-P energy: -8.821 tors. eta vs tors. theta energy: -13.702 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: 9 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -207.408863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.408863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.408863 (E_RNA) where: Base-Base interactions energy: -139.343 where: short stacking energy: -56.330 Base-Backbone interact. energy: -0.114 local terms energy: -67.952103 where: bonds (distance) C4'-P energy: -12.714 bonds (distance) P-C4' energy: -13.751 flat angles C4'-P-C4' energy: -14.875 flat angles P-C4'-P energy: -10.483 tors. eta vs tors. theta energy: -16.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -209.117580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.117580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.117580 (E_RNA) where: Base-Base interactions energy: -137.511 where: short stacking energy: -50.654 Base-Backbone interact. energy: -0.156 local terms energy: -71.450746 where: bonds (distance) C4'-P energy: -15.859 bonds (distance) P-C4' energy: -14.907 flat angles C4'-P-C4' energy: -17.040 flat angles P-C4'-P energy: -9.117 tors. eta vs tors. theta energy: -14.528 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: 10 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -177.273386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.273386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.273386 (E_RNA) where: Base-Base interactions energy: -117.979 where: short stacking energy: -58.112 Base-Backbone interact. energy: -0.064 local terms energy: -59.231271 where: bonds (distance) C4'-P energy: -9.948 bonds (distance) P-C4' energy: -14.814 flat angles C4'-P-C4' energy: -11.295 flat angles P-C4'-P energy: -7.209 tors. eta vs tors. theta energy: -15.965 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: 6, replica: 5 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -173.000075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.000075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.000075 (E_RNA) where: Base-Base interactions energy: -104.581 where: short stacking energy: -46.010 Base-Backbone interact. energy: -0.115 local terms energy: -68.304657 where: bonds (distance) C4'-P energy: -14.867 bonds (distance) P-C4' energy: -14.581 flat angles C4'-P-C4' energy: -15.440 flat angles P-C4'-P energy: -9.249 tors. eta vs tors. theta energy: -14.167 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: 7 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -161.262512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.262512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.262512 (E_RNA) where: Base-Base interactions energy: -91.771 where: short stacking energy: -45.245 Base-Backbone interact. energy: 0.174 local terms energy: -69.664746 where: bonds (distance) C4'-P energy: -15.180 bonds (distance) P-C4' energy: -15.787 flat angles C4'-P-C4' energy: -14.124 flat angles P-C4'-P energy: -10.804 tors. eta vs tors. theta energy: -13.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -160.839853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.839853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.839853 (E_RNA) where: Base-Base interactions energy: -105.159 where: short stacking energy: -47.549 Base-Backbone interact. energy: -0.024 local terms energy: -55.656940 where: bonds (distance) C4'-P energy: -9.521 bonds (distance) P-C4' energy: -14.370 flat angles C4'-P-C4' energy: -15.398 flat angles P-C4'-P energy: -5.920 tors. eta vs tors. theta energy: -10.448 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: 3 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -75.981482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.981482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.981482 (E_RNA) where: Base-Base interactions energy: -20.242 where: short stacking energy: -20.242 Base-Backbone interact. energy: -0.081 local terms energy: -55.658906 where: bonds (distance) C4'-P energy: -14.671 bonds (distance) P-C4' energy: -10.464 flat angles C4'-P-C4' energy: -13.201 flat angles P-C4'-P energy: -11.026 tors. eta vs tors. theta energy: -6.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -74.528436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.528436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.528436 (E_RNA) where: Base-Base interactions energy: -22.867 where: short stacking energy: -22.564 Base-Backbone interact. energy: -0.029 local terms energy: -51.632610 where: bonds (distance) C4'-P energy: -11.331 bonds (distance) P-C4' energy: -14.980 flat angles C4'-P-C4' energy: -13.893 flat angles P-C4'-P energy: -7.003 tors. eta vs tors. theta energy: -4.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -204.221483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.221483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.221483 (E_RNA) where: Base-Base interactions energy: -128.700 where: short stacking energy: -63.974 Base-Backbone interact. energy: -0.049 local terms energy: -75.472606 where: bonds (distance) C4'-P energy: -13.913 bonds (distance) P-C4' energy: -16.432 flat angles C4'-P-C4' energy: -17.199 flat angles P-C4'-P energy: -8.476 tors. eta vs tors. theta energy: -19.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -200.022416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.022416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.022416 (E_RNA) where: Base-Base interactions energy: -130.003 where: short stacking energy: -56.710 Base-Backbone interact. energy: -0.122 local terms energy: -69.897835 where: bonds (distance) C4'-P energy: -14.673 bonds (distance) P-C4' energy: -14.429 flat angles C4'-P-C4' energy: -14.501 flat angles P-C4'-P energy: -11.420 tors. eta vs tors. theta energy: -14.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -204.297345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.297345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.297345 (E_RNA) where: Base-Base interactions energy: -144.053 where: short stacking energy: -54.899 Base-Backbone interact. energy: -0.485 local terms energy: -59.759572 where: bonds (distance) C4'-P energy: -14.448 bonds (distance) P-C4' energy: -13.435 flat angles C4'-P-C4' energy: -11.867 flat angles P-C4'-P energy: -5.209 tors. eta vs tors. theta energy: -14.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -210.706262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.706262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.706262 (E_RNA) where: Base-Base interactions energy: -141.833 where: short stacking energy: -54.498 Base-Backbone interact. energy: -0.614 local terms energy: -68.259175 where: bonds (distance) C4'-P energy: -13.393 bonds (distance) P-C4' energy: -16.023 flat angles C4'-P-C4' energy: -15.939 flat angles P-C4'-P energy: -9.300 tors. eta vs tors. theta energy: -13.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -184.977448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.977448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.977448 (E_RNA) where: Base-Base interactions energy: -117.342 where: short stacking energy: -64.237 Base-Backbone interact. energy: -0.003 local terms energy: -67.631697 where: bonds (distance) C4'-P energy: -12.147 bonds (distance) P-C4' energy: -14.518 flat angles C4'-P-C4' energy: -14.320 flat angles P-C4'-P energy: -10.914 tors. eta vs tors. theta energy: -15.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -188.153881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.153881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.153881 (E_RNA) where: Base-Base interactions energy: -125.768 where: short stacking energy: -53.354 Base-Backbone interact. energy: -0.314 local terms energy: -62.071070 where: bonds (distance) C4'-P energy: -10.974 bonds (distance) P-C4' energy: -13.169 flat angles C4'-P-C4' energy: -15.451 flat angles P-C4'-P energy: -6.940 tors. eta vs tors. theta energy: -15.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -167.600246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.600246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.600246 (E_RNA) where: Base-Base interactions energy: -103.787 where: short stacking energy: -54.717 Base-Backbone interact. energy: 1.155 local terms energy: -64.968180 where: bonds (distance) C4'-P energy: -10.371 bonds (distance) P-C4' energy: -13.968 flat angles C4'-P-C4' energy: -13.165 flat angles P-C4'-P energy: -10.177 tors. eta vs tors. theta energy: -17.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -164.326105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.326105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.326105 (E_RNA) where: Base-Base interactions energy: -110.758 where: short stacking energy: -54.388 Base-Backbone interact. energy: -0.034 local terms energy: -53.534221 where: bonds (distance) C4'-P energy: -12.237 bonds (distance) P-C4' energy: -12.754 flat angles C4'-P-C4' energy: -9.972 flat angles P-C4'-P energy: -3.761 tors. eta vs tors. theta energy: -14.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -83.366747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.366747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.366747 (E_RNA) where: Base-Base interactions energy: -32.114 where: short stacking energy: -32.114 Base-Backbone interact. energy: 0.158 local terms energy: -51.411087 where: bonds (distance) C4'-P energy: -14.162 bonds (distance) P-C4' energy: -15.187 flat angles C4'-P-C4' energy: -12.496 flat angles P-C4'-P energy: -4.354 tors. eta vs tors. theta energy: -5.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -78.785149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.785149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.785149 (E_RNA) where: Base-Base interactions energy: -35.884 where: short stacking energy: -28.037 Base-Backbone interact. energy: -0.203 local terms energy: -42.698027 where: bonds (distance) C4'-P energy: -13.268 bonds (distance) P-C4' energy: -13.965 flat angles C4'-P-C4' energy: -9.623 flat angles P-C4'-P energy: -6.386 tors. eta vs tors. theta energy: 0.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -214.425009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.425009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.425009 (E_RNA) where: Base-Base interactions energy: -146.148 where: short stacking energy: -61.921 Base-Backbone interact. energy: -0.045 local terms energy: -68.232301 where: bonds (distance) C4'-P energy: -12.009 bonds (distance) P-C4' energy: -14.328 flat angles C4'-P-C4' energy: -13.704 flat angles P-C4'-P energy: -10.610 tors. eta vs tors. theta energy: -17.580 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: 2, replica: 1 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -195.163674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.163674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.163674 (E_RNA) where: Base-Base interactions energy: -120.802 where: short stacking energy: -64.247 Base-Backbone interact. energy: -0.009 local terms energy: -74.352611 where: bonds (distance) C4'-P energy: -14.918 bonds (distance) P-C4' energy: -17.352 flat angles C4'-P-C4' energy: -14.878 flat angles P-C4'-P energy: -8.404 tors. eta vs tors. theta energy: -18.802 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: 9 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -210.083642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.083642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.083642 (E_RNA) where: Base-Base interactions energy: -140.670 where: short stacking energy: -54.998 Base-Backbone interact. energy: -0.375 local terms energy: -69.039110 where: bonds (distance) C4'-P energy: -16.481 bonds (distance) P-C4' energy: -11.285 flat angles C4'-P-C4' energy: -13.928 flat angles P-C4'-P energy: -11.184 tors. eta vs tors. theta energy: -16.162 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: 6 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -199.101170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.101170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.101170 (E_RNA) where: Base-Base interactions energy: -142.038 where: short stacking energy: -52.433 Base-Backbone interact. energy: -0.074 local terms energy: -56.989145 where: bonds (distance) C4'-P energy: -8.946 bonds (distance) P-C4' energy: -13.030 flat angles C4'-P-C4' energy: -14.542 flat angles P-C4'-P energy: -9.064 tors. eta vs tors. theta energy: -11.407 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: 388 Temperature: 1.100000 Total energy: -199.424652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.424652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.424652 (E_RNA) where: Base-Base interactions energy: -142.560 where: short stacking energy: -62.647 Base-Backbone interact. energy: -0.003 local terms energy: -56.861217 where: bonds (distance) C4'-P energy: -7.969 bonds (distance) P-C4' energy: -12.337 flat angles C4'-P-C4' energy: -13.689 flat angles P-C4'-P energy: -4.092 tors. eta vs tors. theta energy: -18.774 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: 10 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -178.401647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.401647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.401647 (E_RNA) where: Base-Base interactions energy: -113.149 where: short stacking energy: -52.632 Base-Backbone interact. energy: -0.116 local terms energy: -65.136434 where: bonds (distance) C4'-P energy: -13.445 bonds (distance) P-C4' energy: -17.718 flat angles C4'-P-C4' energy: -14.893 flat angles P-C4'-P energy: -8.382 tors. eta vs tors. theta energy: -10.698 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: 7, replica: 5 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -185.302377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.302377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.302377 (E_RNA) where: Base-Base interactions energy: -121.654 where: short stacking energy: -55.308 Base-Backbone interact. energy: -0.177 local terms energy: -63.470998 where: bonds (distance) C4'-P energy: -10.948 bonds (distance) P-C4' energy: -15.867 flat angles C4'-P-C4' energy: -14.605 flat angles P-C4'-P energy: -7.181 tors. eta vs tors. theta energy: -14.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -152.694005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.694005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.694005 (E_RNA) where: Base-Base interactions energy: -107.410 where: short stacking energy: -42.904 Base-Backbone interact. energy: -0.099 local terms energy: -45.185045 where: bonds (distance) C4'-P energy: -10.677 bonds (distance) P-C4' energy: -13.218 flat angles C4'-P-C4' energy: -9.621 flat angles P-C4'-P energy: -2.528 tors. eta vs tors. theta energy: -9.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -85.320961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.320961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.320961 (E_RNA) where: Base-Base interactions energy: -30.425 where: short stacking energy: -29.889 Base-Backbone interact. energy: -0.151 local terms energy: -54.744027 where: bonds (distance) C4'-P energy: -14.741 bonds (distance) P-C4' energy: -13.565 flat angles C4'-P-C4' energy: -12.453 flat angles P-C4'-P energy: -10.316 tors. eta vs tors. theta energy: -3.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -75.840046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.840046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.840046 (E_RNA) where: Base-Base interactions energy: -30.139 where: short stacking energy: -30.139 Base-Backbone interact. energy: 0.497 local terms energy: -46.197934 where: bonds (distance) C4'-P energy: -11.152 bonds (distance) P-C4' energy: -9.042 flat angles C4'-P-C4' energy: -14.881 flat angles P-C4'-P energy: -5.671 tors. eta vs tors. theta energy: -5.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -207.235720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.235720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.235720 (E_RNA) where: Base-Base interactions energy: -140.758 where: short stacking energy: -60.439 Base-Backbone interact. energy: -0.007 local terms energy: -66.470535 where: bonds (distance) C4'-P energy: -15.272 bonds (distance) P-C4' energy: -14.436 flat angles C4'-P-C4' energy: -11.175 flat angles P-C4'-P energy: -9.805 tors. eta vs tors. theta energy: -15.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -215.298804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.298804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.298804 (E_RNA) where: Base-Base interactions energy: -147.417 where: short stacking energy: -59.011 Base-Backbone interact. energy: -0.303 local terms energy: -67.578408 where: bonds (distance) C4'-P energy: -13.926 bonds (distance) P-C4' energy: -15.219 flat angles C4'-P-C4' energy: -13.832 flat angles P-C4'-P energy: -8.119 tors. eta vs tors. theta energy: -16.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -186.537395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.537395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.537395 (E_RNA) where: Base-Base interactions energy: -120.546 where: short stacking energy: -59.107 Base-Backbone interact. energy: -0.162 local terms energy: -65.829601 where: bonds (distance) C4'-P energy: -15.073 bonds (distance) P-C4' energy: -12.732 flat angles C4'-P-C4' energy: -14.144 flat angles P-C4'-P energy: -7.658 tors. eta vs tors. theta energy: -16.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -207.147773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.147773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.147773 (E_RNA) where: Base-Base interactions energy: -142.282 where: short stacking energy: -54.075 Base-Backbone interact. energy: -0.279 local terms energy: -64.586489 where: bonds (distance) C4'-P energy: -16.489 bonds (distance) P-C4' energy: -14.060 flat angles C4'-P-C4' energy: -16.026 flat angles P-C4'-P energy: -7.160 tors. eta vs tors. theta energy: -10.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -194.124136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.124136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.124136 (E_RNA) where: Base-Base interactions energy: -123.817 where: short stacking energy: -66.107 Base-Backbone interact. energy: -0.005 local terms energy: -70.302399 where: bonds (distance) C4'-P energy: -13.236 bonds (distance) P-C4' energy: -13.183 flat angles C4'-P-C4' energy: -13.727 flat angles P-C4'-P energy: -10.016 tors. eta vs tors. theta energy: -20.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -173.571510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.571510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.571510 (E_RNA) where: Base-Base interactions energy: -114.313 where: short stacking energy: -51.277 Base-Backbone interact. energy: -0.252 local terms energy: -59.006212 where: bonds (distance) C4'-P energy: -12.008 bonds (distance) P-C4' energy: -14.374 flat angles C4'-P-C4' energy: -10.981 flat angles P-C4'-P energy: -7.050 tors. eta vs tors. theta energy: -14.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -176.683651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.683651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.683651 (E_RNA) where: Base-Base interactions energy: -112.456 where: short stacking energy: -57.251 Base-Backbone interact. energy: -0.105 local terms energy: -64.122499 where: bonds (distance) C4'-P energy: -10.940 bonds (distance) P-C4' energy: -13.045 flat angles C4'-P-C4' energy: -15.652 flat angles P-C4'-P energy: -8.810 tors. eta vs tors. theta energy: -15.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -170.733881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.733881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.733881 (E_RNA) where: Base-Base interactions energy: -107.904 where: short stacking energy: -48.928 Base-Backbone interact. energy: -0.358 local terms energy: -62.471595 where: bonds (distance) C4'-P energy: -9.678 bonds (distance) P-C4' energy: -16.808 flat angles C4'-P-C4' energy: -14.857 flat angles P-C4'-P energy: -7.462 tors. eta vs tors. theta energy: -13.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -84.350387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.350387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.350387 (E_RNA) where: Base-Base interactions energy: -41.657 where: short stacking energy: -27.209 Base-Backbone interact. energy: -0.292 local terms energy: -42.401280 where: bonds (distance) C4'-P energy: -13.246 bonds (distance) P-C4' energy: -16.060 flat angles C4'-P-C4' energy: -8.964 flat angles P-C4'-P energy: -5.599 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: 10, replica: 8 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -84.232042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.232042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.232042 (E_RNA) where: Base-Base interactions energy: -42.023 where: short stacking energy: -23.239 Base-Backbone interact. energy: 0.493 local terms energy: -42.701531 where: bonds (distance) C4'-P energy: -14.398 bonds (distance) P-C4' energy: -17.345 flat angles C4'-P-C4' energy: -5.229 flat angles P-C4'-P energy: -7.581 tors. eta vs tors. theta energy: 1.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -215.568283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.568283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.568283 (E_RNA) where: Base-Base interactions energy: -154.055 where: short stacking energy: -58.266 Base-Backbone interact. energy: -0.350 local terms energy: -61.163487 where: bonds (distance) C4'-P energy: -15.283 bonds (distance) P-C4' energy: -14.307 flat angles C4'-P-C4' energy: -12.958 flat angles P-C4'-P energy: -6.932 tors. eta vs tors. theta energy: -11.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -207.365433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.365433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.365433 (E_RNA) where: Base-Base interactions energy: -142.164 where: short stacking energy: -61.329 Base-Backbone interact. energy: -0.281 local terms energy: -64.920097 where: bonds (distance) C4'-P energy: -15.053 bonds (distance) P-C4' energy: -15.153 flat angles C4'-P-C4' energy: -13.366 flat angles P-C4'-P energy: -5.908 tors. eta vs tors. theta energy: -15.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -204.523948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.523948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.523948 (E_RNA) where: Base-Base interactions energy: -146.424 where: short stacking energy: -56.683 Base-Backbone interact. energy: -0.469 local terms energy: -57.631735 where: bonds (distance) C4'-P energy: -8.311 bonds (distance) P-C4' energy: -15.899 flat angles C4'-P-C4' energy: -15.090 flat angles P-C4'-P energy: -8.888 tors. eta vs tors. theta energy: -9.444 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: 4, replica: 1 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -186.217705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.217705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.217705 (E_RNA) where: Base-Base interactions energy: -120.266 where: short stacking energy: -59.319 Base-Backbone interact. energy: -0.002 local terms energy: -65.950136 where: bonds (distance) C4'-P energy: -14.386 bonds (distance) P-C4' energy: -17.551 flat angles C4'-P-C4' energy: -12.366 flat angles P-C4'-P energy: -9.951 tors. eta vs tors. theta energy: -11.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -188.888446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.888446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.888446 (E_RNA) where: Base-Base interactions energy: -125.570 where: short stacking energy: -57.415 Base-Backbone interact. energy: -0.354 local terms energy: -62.964385 where: bonds (distance) C4'-P energy: -15.176 bonds (distance) P-C4' energy: -15.069 flat angles C4'-P-C4' energy: -12.303 flat angles P-C4'-P energy: -7.090 tors. eta vs tors. theta energy: -13.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -163.346098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.346098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.346098 (E_RNA) where: Base-Base interactions energy: -106.884 where: short stacking energy: -52.134 Base-Backbone interact. energy: -0.501 local terms energy: -55.960744 where: bonds (distance) C4'-P energy: -13.951 bonds (distance) P-C4' energy: -12.387 flat angles C4'-P-C4' energy: -11.449 flat angles P-C4'-P energy: -7.348 tors. eta vs tors. theta energy: -10.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -169.865705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.865705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.865705 (E_RNA) where: Base-Base interactions energy: -109.022 where: short stacking energy: -54.958 Base-Backbone interact. energy: -0.171 local terms energy: -60.672222 where: bonds (distance) C4'-P energy: -10.903 bonds (distance) P-C4' energy: -11.328 flat angles C4'-P-C4' energy: -17.978 flat angles P-C4'-P energy: -4.385 tors. eta vs tors. theta energy: -16.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -152.132457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.132457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.132457 (E_RNA) where: Base-Base interactions energy: -102.806 where: short stacking energy: -48.014 Base-Backbone interact. energy: -0.139 local terms energy: -49.186980 where: bonds (distance) C4'-P energy: -6.979 bonds (distance) P-C4' energy: -13.619 flat angles C4'-P-C4' energy: -11.004 flat angles P-C4'-P energy: -6.627 tors. eta vs tors. theta energy: -10.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -88.892107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.892107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.892107 (E_RNA) where: Base-Base interactions energy: -48.469 where: short stacking energy: -30.630 Base-Backbone interact. energy: -0.108 local terms energy: -40.315529 where: bonds (distance) C4'-P energy: -9.202 bonds (distance) P-C4' energy: -10.357 flat angles C4'-P-C4' energy: -11.025 flat angles P-C4'-P energy: -6.353 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: 3 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -81.436007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.436007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.436007 (E_RNA) where: Base-Base interactions energy: -24.889 where: short stacking energy: -24.889 Base-Backbone interact. energy: 0.996 local terms energy: -57.542837 where: bonds (distance) C4'-P energy: -13.631 bonds (distance) P-C4' energy: -16.597 flat angles C4'-P-C4' energy: -16.582 flat angles P-C4'-P energy: -6.513 tors. eta vs tors. theta energy: -4.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -214.406493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.406493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.406493 (E_RNA) where: Base-Base interactions energy: -147.141 where: short stacking energy: -56.250 Base-Backbone interact. energy: -0.040 local terms energy: -67.225891 where: bonds (distance) C4'-P energy: -15.242 bonds (distance) P-C4' energy: -15.938 flat angles C4'-P-C4' energy: -14.322 flat angles P-C4'-P energy: -7.381 tors. eta vs tors. theta energy: -14.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -217.911717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.911717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.911717 (E_RNA) where: Base-Base interactions energy: -157.381 where: short stacking energy: -56.411 Base-Backbone interact. energy: -0.103 local terms energy: -60.427048 where: bonds (distance) C4'-P energy: -14.183 bonds (distance) P-C4' energy: -14.423 flat angles C4'-P-C4' energy: -8.237 flat angles P-C4'-P energy: -11.608 tors. eta vs tors. theta energy: -11.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -208.476077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.476077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.476077 (E_RNA) where: Base-Base interactions energy: -142.563 where: short stacking energy: -64.043 Base-Backbone interact. energy: -0.085 local terms energy: -65.828326 where: bonds (distance) C4'-P energy: -17.201 bonds (distance) P-C4' energy: -14.063 flat angles C4'-P-C4' energy: -11.584 flat angles P-C4'-P energy: -5.720 tors. eta vs tors. theta energy: -17.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -176.545801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.545801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.545801 (E_RNA) where: Base-Base interactions energy: -117.420 where: short stacking energy: -47.570 Base-Backbone interact. energy: -0.984 local terms energy: -58.141805 where: bonds (distance) C4'-P energy: -14.112 bonds (distance) P-C4' energy: -13.285 flat angles C4'-P-C4' energy: -14.568 flat angles P-C4'-P energy: -8.620 tors. eta vs tors. theta energy: -7.557 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: 5, replica: 1 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -194.964361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.964361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.964361 (E_RNA) where: Base-Base interactions energy: -133.335 where: short stacking energy: -61.756 Base-Backbone interact. energy: -0.215 local terms energy: -61.414564 where: bonds (distance) C4'-P energy: -11.960 bonds (distance) P-C4' energy: -14.286 flat angles C4'-P-C4' energy: -12.026 flat angles P-C4'-P energy: -9.801 tors. eta vs tors. theta energy: -13.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -170.716288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.716288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.716288 (E_RNA) where: Base-Base interactions energy: -114.580 where: short stacking energy: -57.202 Base-Backbone interact. energy: -0.027 local terms energy: -56.109048 where: bonds (distance) C4'-P energy: -11.856 bonds (distance) P-C4' energy: -13.967 flat angles C4'-P-C4' energy: -13.374 flat angles P-C4'-P energy: -2.800 tors. eta vs tors. theta energy: -14.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -183.982118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.982118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.982118 (E_RNA) where: Base-Base interactions energy: -122.672 where: short stacking energy: -53.113 Base-Backbone interact. energy: -0.188 local terms energy: -61.121942 where: bonds (distance) C4'-P energy: -14.580 bonds (distance) P-C4' energy: -14.591 flat angles C4'-P-C4' energy: -12.116 flat angles P-C4'-P energy: -5.628 tors. eta vs tors. theta energy: -14.207 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: 4 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -153.517971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.517971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.517971 (E_RNA) where: Base-Base interactions energy: -97.765 where: short stacking energy: -43.871 Base-Backbone interact. energy: -0.108 local terms energy: -55.644670 where: bonds (distance) C4'-P energy: -10.874 bonds (distance) P-C4' energy: -14.787 flat angles C4'-P-C4' energy: -14.647 flat angles P-C4'-P energy: -5.774 tors. eta vs tors. theta energy: -9.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -83.771548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.771548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.771548 (E_RNA) where: Base-Base interactions energy: -34.544 where: short stacking energy: -23.213 Base-Backbone interact. energy: -0.042 local terms energy: -49.185534 where: bonds (distance) C4'-P energy: -12.059 bonds (distance) P-C4' energy: -12.129 flat angles C4'-P-C4' energy: -10.980 flat angles P-C4'-P energy: -10.849 tors. eta vs tors. theta energy: -3.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -88.995812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.995812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.995812 (E_RNA) where: Base-Base interactions energy: -45.734 where: short stacking energy: -30.454 Base-Backbone interact. energy: 5.898 local terms energy: -49.160256 where: bonds (distance) C4'-P energy: -12.079 bonds (distance) P-C4' energy: -11.850 flat angles C4'-P-C4' energy: -12.625 flat angles P-C4'-P energy: -7.545 tors. eta vs tors. theta energy: -5.061 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: 6 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -224.448316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.448316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.448316 (E_RNA) where: Base-Base interactions energy: -153.586 where: short stacking energy: -64.208 Base-Backbone interact. energy: -1.551 local terms energy: -69.311180 where: bonds (distance) C4'-P energy: -14.555 bonds (distance) P-C4' energy: -15.181 flat angles C4'-P-C4' energy: -16.270 flat angles P-C4'-P energy: -9.698 tors. eta vs tors. theta energy: -13.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -201.253183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.253183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.253183 (E_RNA) where: Base-Base interactions energy: -138.594 where: short stacking energy: -61.889 Base-Backbone interact. energy: 0.431 local terms energy: -63.090575 where: bonds (distance) C4'-P energy: -15.825 bonds (distance) P-C4' energy: -10.923 flat angles C4'-P-C4' energy: -12.816 flat angles P-C4'-P energy: -6.570 tors. eta vs tors. theta energy: -16.956 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: 10 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -193.218880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.218880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.218880 (E_RNA) where: Base-Base interactions energy: -132.089 where: short stacking energy: -54.687 Base-Backbone interact. energy: 0.046 local terms energy: -61.175629 where: bonds (distance) C4'-P energy: -11.165 bonds (distance) P-C4' energy: -14.899 flat angles C4'-P-C4' energy: -15.865 flat angles P-C4'-P energy: -8.276 tors. eta vs tors. theta energy: -10.972 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: 2 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -183.871974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.871974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.871974 (E_RNA) where: Base-Base interactions energy: -119.547 where: short stacking energy: -52.024 Base-Backbone interact. energy: -0.009 local terms energy: -64.315804 where: bonds (distance) C4'-P energy: -14.365 bonds (distance) P-C4' energy: -16.051 flat angles C4'-P-C4' energy: -14.500 flat angles P-C4'-P energy: -6.938 tors. eta vs tors. theta energy: -12.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -194.926733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.926733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.926733 (E_RNA) where: Base-Base interactions energy: -120.457 where: short stacking energy: -61.483 Base-Backbone interact. energy: -0.085 local terms energy: -74.385662 where: bonds (distance) C4'-P energy: -13.786 bonds (distance) P-C4' energy: -15.621 flat angles C4'-P-C4' energy: -15.193 flat angles P-C4'-P energy: -10.768 tors. eta vs tors. theta energy: -19.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -166.475658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.475658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.475658 (E_RNA) where: Base-Base interactions energy: -102.400 where: short stacking energy: -48.763 Base-Backbone interact. energy: -0.458 local terms energy: -63.617249 where: bonds (distance) C4'-P energy: -13.305 bonds (distance) P-C4' energy: -11.695 flat angles C4'-P-C4' energy: -15.301 flat angles P-C4'-P energy: -9.449 tors. eta vs tors. theta energy: -13.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -154.789816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.789816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.789816 (E_RNA) where: Base-Base interactions energy: -102.478 where: short stacking energy: -41.703 Base-Backbone interact. energy: -0.797 local terms energy: -51.515388 where: bonds (distance) C4'-P energy: -11.391 bonds (distance) P-C4' energy: -11.307 flat angles C4'-P-C4' energy: -14.769 flat angles P-C4'-P energy: -7.809 tors. eta vs tors. theta energy: -6.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -160.093840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.093840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.093840 (E_RNA) where: Base-Base interactions energy: -107.132 where: short stacking energy: -45.919 Base-Backbone interact. energy: -0.708 local terms energy: -52.253509 where: bonds (distance) C4'-P energy: -12.725 bonds (distance) P-C4' energy: -11.266 flat angles C4'-P-C4' energy: -11.995 flat angles P-C4'-P energy: -6.334 tors. eta vs tors. theta energy: -9.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -83.751919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.751919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.751919 (E_RNA) where: Base-Base interactions energy: -34.350 where: short stacking energy: -33.884 Base-Backbone interact. energy: -0.194 local terms energy: -49.207487 where: bonds (distance) C4'-P energy: -8.191 bonds (distance) P-C4' energy: -14.603 flat angles C4'-P-C4' energy: -14.016 flat angles P-C4'-P energy: -10.372 tors. eta vs tors. theta energy: -2.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -82.355236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.355236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.355236 (E_RNA) where: Base-Base interactions energy: -33.390 where: short stacking energy: -27.499 Base-Backbone interact. energy: -0.216 local terms energy: -48.749795 where: bonds (distance) C4'-P energy: -14.092 bonds (distance) P-C4' energy: -14.029 flat angles C4'-P-C4' energy: -7.842 flat angles P-C4'-P energy: -8.171 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: 1, replica: 6 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -218.657590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.657590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.657590 (E_RNA) where: Base-Base interactions energy: -150.333 where: short stacking energy: -60.062 Base-Backbone interact. energy: -0.728 local terms energy: -67.596840 where: bonds (distance) C4'-P energy: -15.536 bonds (distance) P-C4' energy: -14.750 flat angles C4'-P-C4' energy: -15.100 flat angles P-C4'-P energy: -11.166 tors. eta vs tors. theta energy: -11.044 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: 9 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -204.179748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.179748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.179748 (E_RNA) where: Base-Base interactions energy: -132.441 where: short stacking energy: -60.289 Base-Backbone interact. energy: -0.001 local terms energy: -71.738346 where: bonds (distance) C4'-P energy: -15.562 bonds (distance) P-C4' energy: -16.057 flat angles C4'-P-C4' energy: -15.645 flat angles P-C4'-P energy: -5.922 tors. eta vs tors. theta energy: -18.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -189.785399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.785399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.785399 (E_RNA) where: Base-Base interactions energy: -125.809 where: short stacking energy: -48.400 Base-Backbone interact. energy: -0.351 local terms energy: -63.625583 where: bonds (distance) C4'-P energy: -13.749 bonds (distance) P-C4' energy: -15.296 flat angles C4'-P-C4' energy: -14.918 flat angles P-C4'-P energy: -9.425 tors. eta vs tors. theta energy: -10.237 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: 1 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -179.464761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.464761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.464761 (E_RNA) where: Base-Base interactions energy: -114.132 where: short stacking energy: -59.785 Base-Backbone interact. energy: -0.008 local terms energy: -65.325074 where: bonds (distance) C4'-P energy: -11.563 bonds (distance) P-C4' energy: -16.121 flat angles C4'-P-C4' energy: -14.308 flat angles P-C4'-P energy: -8.466 tors. eta vs tors. theta energy: -14.866 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: 2 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -176.405310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.405310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.405310 (E_RNA) where: Base-Base interactions energy: -105.212 where: short stacking energy: -49.593 Base-Backbone interact. energy: -0.251 local terms energy: -70.941866 where: bonds (distance) C4'-P energy: -15.525 bonds (distance) P-C4' energy: -13.535 flat angles C4'-P-C4' energy: -16.966 flat angles P-C4'-P energy: -11.593 tors. eta vs tors. theta energy: -13.323 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: 4 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -179.388362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.388362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.388362 (E_RNA) where: Base-Base interactions energy: -120.646 where: short stacking energy: -49.250 Base-Backbone interact. energy: -0.261 local terms energy: -58.481791 where: bonds (distance) C4'-P energy: -14.663 bonds (distance) P-C4' energy: -14.306 flat angles C4'-P-C4' energy: -15.101 flat angles P-C4'-P energy: -6.979 tors. eta vs tors. theta energy: -7.432 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: 5 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -148.065202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.065202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.065202 (E_RNA) where: Base-Base interactions energy: -91.251 where: short stacking energy: -38.575 Base-Backbone interact. energy: -0.004 local terms energy: -56.810247 where: bonds (distance) C4'-P energy: -14.757 bonds (distance) P-C4' energy: -14.701 flat angles C4'-P-C4' energy: -13.289 flat angles P-C4'-P energy: 1.129 tors. eta vs tors. theta energy: -15.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -153.029455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.029455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.029455 (E_RNA) where: Base-Base interactions energy: -95.471 where: short stacking energy: -43.882 Base-Backbone interact. energy: 0.259 local terms energy: -57.817725 where: bonds (distance) C4'-P energy: -12.473 bonds (distance) P-C4' energy: -12.133 flat angles C4'-P-C4' energy: -13.767 flat angles P-C4'-P energy: -10.460 tors. eta vs tors. theta energy: -8.984 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: 393 Temperature: 1.300000 Total energy: -103.004816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.004816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.004816 (E_RNA) where: Base-Base interactions energy: -54.248 where: short stacking energy: -33.231 Base-Backbone interact. energy: -0.255 local terms energy: -48.502018 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -12.062 flat angles C4'-P-C4' energy: -14.268 flat angles P-C4'-P energy: -8.124 tors. eta vs tors. theta energy: -5.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -80.500133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.500133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.500133 (E_RNA) where: Base-Base interactions energy: -39.350 where: short stacking energy: -31.571 Base-Backbone interact. energy: -0.205 local terms energy: -40.945063 where: bonds (distance) C4'-P energy: -11.756 bonds (distance) P-C4' energy: -10.779 flat angles C4'-P-C4' energy: -9.973 flat angles P-C4'-P energy: -8.143 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: 9 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -200.885952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.885952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.885952 (E_RNA) where: Base-Base interactions energy: -134.054 where: short stacking energy: -58.582 Base-Backbone interact. energy: -0.302 local terms energy: -66.530156 where: bonds (distance) C4'-P energy: -12.753 bonds (distance) P-C4' energy: -15.313 flat angles C4'-P-C4' energy: -14.599 flat angles P-C4'-P energy: -11.738 tors. eta vs tors. theta energy: -12.127 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: 6 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -213.319830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.319830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.319830 (E_RNA) where: Base-Base interactions energy: -151.891 where: short stacking energy: -64.975 Base-Backbone interact. energy: 0.022 local terms energy: -61.450426 where: bonds (distance) C4'-P energy: -12.027 bonds (distance) P-C4' energy: -12.338 flat angles C4'-P-C4' energy: -16.012 flat angles P-C4'-P energy: -5.967 tors. eta vs tors. theta energy: -15.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -189.111733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.111733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.111733 (E_RNA) where: Base-Base interactions energy: -124.329 where: short stacking energy: -57.136 Base-Backbone interact. energy: -0.367 local terms energy: -64.416223 where: bonds (distance) C4'-P energy: -14.725 bonds (distance) P-C4' energy: -11.292 flat angles C4'-P-C4' energy: -12.347 flat angles P-C4'-P energy: -10.229 tors. eta vs tors. theta energy: -15.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -180.627513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.627513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.627513 (E_RNA) where: Base-Base interactions energy: -113.197 where: short stacking energy: -57.098 Base-Backbone interact. energy: -0.132 local terms energy: -67.298171 where: bonds (distance) C4'-P energy: -11.433 bonds (distance) P-C4' energy: -13.309 flat angles C4'-P-C4' energy: -13.934 flat angles P-C4'-P energy: -12.439 tors. eta vs tors. theta energy: -16.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -175.172583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.172583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.172583 (E_RNA) where: Base-Base interactions energy: -114.234 where: short stacking energy: -50.056 Base-Backbone interact. energy: -0.114 local terms energy: -60.824943 where: bonds (distance) C4'-P energy: -15.231 bonds (distance) P-C4' energy: -12.598 flat angles C4'-P-C4' energy: -12.457 flat angles P-C4'-P energy: -8.661 tors. eta vs tors. theta energy: -11.879 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: 2 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -184.902424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.902424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.902424 (E_RNA) where: Base-Base interactions energy: -122.713 where: short stacking energy: -45.712 Base-Backbone interact. energy: -0.004 local terms energy: -62.184837 where: bonds (distance) C4'-P energy: -9.463 bonds (distance) P-C4' energy: -16.593 flat angles C4'-P-C4' energy: -14.877 flat angles P-C4'-P energy: -8.595 tors. eta vs tors. theta energy: -12.656 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: 7 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -171.387127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.387127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.387127 (E_RNA) where: Base-Base interactions energy: -118.045 where: short stacking energy: -45.531 Base-Backbone interact. energy: -0.112 local terms energy: -53.229744 where: bonds (distance) C4'-P energy: -9.658 bonds (distance) P-C4' energy: -13.459 flat angles C4'-P-C4' energy: -15.047 flat angles P-C4'-P energy: -6.647 tors. eta vs tors. theta energy: -8.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -116.222944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.222944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.222944 (E_RNA) where: Base-Base interactions energy: -70.491 where: short stacking energy: -38.556 Base-Backbone interact. energy: -0.162 local terms energy: -45.570008 where: bonds (distance) C4'-P energy: -12.675 bonds (distance) P-C4' energy: -15.478 flat angles C4'-P-C4' energy: -9.596 flat angles P-C4'-P energy: -5.784 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: 8 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -102.972742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.972742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.972742 (E_RNA) where: Base-Base interactions energy: -52.360 where: short stacking energy: -28.789 Base-Backbone interact. energy: -0.145 local terms energy: -50.467643 where: bonds (distance) C4'-P energy: -11.297 bonds (distance) P-C4' energy: -15.572 flat angles C4'-P-C4' energy: -14.723 flat angles P-C4'-P energy: -8.580 tors. eta vs tors. theta energy: -0.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -86.902295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.902295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.902295 (E_RNA) where: Base-Base interactions energy: -34.572 where: short stacking energy: -34.572 Base-Backbone interact. energy: -0.090 local terms energy: -52.240256 where: bonds (distance) C4'-P energy: -12.014 bonds (distance) P-C4' energy: -15.026 flat angles C4'-P-C4' energy: -10.839 flat angles P-C4'-P energy: -6.014 tors. eta vs tors. theta energy: -8.348 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: 9 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -204.733945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.733945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.733945 (E_RNA) where: Base-Base interactions energy: -136.313 where: short stacking energy: -64.377 Base-Backbone interact. energy: -0.024 local terms energy: -68.397149 where: bonds (distance) C4'-P energy: -12.708 bonds (distance) P-C4' energy: -13.520 flat angles C4'-P-C4' energy: -16.647 flat angles P-C4'-P energy: -9.183 tors. eta vs tors. theta energy: -16.339 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: 6 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -223.331970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.331970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.331970 (E_RNA) where: Base-Base interactions energy: -146.446 where: short stacking energy: -57.224 Base-Backbone interact. energy: -0.787 local terms energy: -76.098799 where: bonds (distance) C4'-P energy: -15.218 bonds (distance) P-C4' energy: -17.280 flat angles C4'-P-C4' energy: -16.467 flat angles P-C4'-P energy: -10.053 tors. eta vs tors. theta energy: -17.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -205.417511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.417511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.417511 (E_RNA) where: Base-Base interactions energy: -130.771 where: short stacking energy: -57.852 Base-Backbone interact. energy: -0.002 local terms energy: -74.644645 where: bonds (distance) C4'-P energy: -15.676 bonds (distance) P-C4' energy: -15.790 flat angles C4'-P-C4' energy: -16.606 flat angles P-C4'-P energy: -9.271 tors. eta vs tors. theta energy: -17.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -186.096107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.096107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.096107 (E_RNA) where: Base-Base interactions energy: -121.634 where: short stacking energy: -52.140 Base-Backbone interact. energy: -0.518 local terms energy: -63.944796 where: bonds (distance) C4'-P energy: -15.441 bonds (distance) P-C4' energy: -16.185 flat angles C4'-P-C4' energy: -13.652 flat angles P-C4'-P energy: -8.984 tors. eta vs tors. theta energy: -9.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -182.309007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.309007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.309007 (E_RNA) where: Base-Base interactions energy: -121.552 where: short stacking energy: -56.885 Base-Backbone interact. energy: -0.008 local terms energy: -60.749198 where: bonds (distance) C4'-P energy: -12.861 bonds (distance) P-C4' energy: -12.489 flat angles C4'-P-C4' energy: -12.932 flat angles P-C4'-P energy: -4.583 tors. eta vs tors. theta energy: -17.883 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: 7 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -181.906076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.906076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.906076 (E_RNA) where: Base-Base interactions energy: -124.803 where: short stacking energy: -41.240 Base-Backbone interact. energy: -0.330 local terms energy: -56.773601 where: bonds (distance) C4'-P energy: -15.196 bonds (distance) P-C4' energy: -10.503 flat angles C4'-P-C4' energy: -14.933 flat angles P-C4'-P energy: -11.484 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: 7, replica: 2 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -177.911321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.911321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.911321 (E_RNA) where: Base-Base interactions energy: -126.197 where: short stacking energy: -54.420 Base-Backbone interact. energy: -0.030 local terms energy: -51.684257 where: bonds (distance) C4'-P energy: -7.062 bonds (distance) P-C4' energy: -15.662 flat angles C4'-P-C4' energy: -11.404 flat angles P-C4'-P energy: -2.664 tors. eta vs tors. theta energy: -14.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -108.306353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.306353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.306353 (E_RNA) where: Base-Base interactions energy: -60.225 where: short stacking energy: -23.111 Base-Backbone interact. energy: -0.214 local terms energy: -47.867575 where: bonds (distance) C4'-P energy: -13.645 bonds (distance) P-C4' energy: -11.895 flat angles C4'-P-C4' energy: -15.273 flat angles P-C4'-P energy: -7.477 tors. eta vs tors. theta energy: 0.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -80.444595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.444595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.444595 (E_RNA) where: Base-Base interactions energy: -34.467 where: short stacking energy: -32.757 Base-Backbone interact. energy: -0.283 local terms energy: -45.693960 where: bonds (distance) C4'-P energy: -7.505 bonds (distance) P-C4' energy: -10.475 flat angles C4'-P-C4' energy: -15.119 flat angles P-C4'-P energy: -7.826 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: 10, replica: 3 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -86.773762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.773762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.773762 (E_RNA) where: Base-Base interactions energy: -39.706 where: short stacking energy: -38.743 Base-Backbone interact. energy: -0.131 local terms energy: -46.936670 where: bonds (distance) C4'-P energy: -12.233 bonds (distance) P-C4' energy: -14.678 flat angles C4'-P-C4' energy: -11.953 flat angles P-C4'-P energy: -1.430 tors. eta vs tors. theta energy: -6.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -219.145040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.145040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.145040 (E_RNA) where: Base-Base interactions energy: -142.924 where: short stacking energy: -66.657 Base-Backbone interact. energy: -0.091 local terms energy: -76.129699 where: bonds (distance) C4'-P energy: -15.297 bonds (distance) P-C4' energy: -16.410 flat angles C4'-P-C4' energy: -14.002 flat angles P-C4'-P energy: -12.243 tors. eta vs tors. theta energy: -18.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -210.510134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.510134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.510134 (E_RNA) where: Base-Base interactions energy: -147.529 where: short stacking energy: -66.482 Base-Backbone interact. energy: 1.296 local terms energy: -64.277354 where: bonds (distance) C4'-P energy: -11.947 bonds (distance) P-C4' energy: -12.620 flat angles C4'-P-C4' energy: -13.083 flat angles P-C4'-P energy: -11.068 tors. eta vs tors. theta energy: -15.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -192.058249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.058249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.058249 (E_RNA) where: Base-Base interactions energy: -126.312 where: short stacking energy: -49.606 Base-Backbone interact. energy: -0.228 local terms energy: -65.518227 where: bonds (distance) C4'-P energy: -14.257 bonds (distance) P-C4' energy: -14.449 flat angles C4'-P-C4' energy: -17.014 flat angles P-C4'-P energy: -9.990 tors. eta vs tors. theta energy: -9.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -198.644917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.644917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.644917 (E_RNA) where: Base-Base interactions energy: -131.249 where: short stacking energy: -51.637 Base-Backbone interact. energy: -0.039 local terms energy: -67.357311 where: bonds (distance) C4'-P energy: -16.766 bonds (distance) P-C4' energy: -13.638 flat angles C4'-P-C4' energy: -10.829 flat angles P-C4'-P energy: -9.728 tors. eta vs tors. theta energy: -16.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -181.358522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.358522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.358522 (E_RNA) where: Base-Base interactions energy: -118.312 where: short stacking energy: -65.287 Base-Backbone interact. energy: -0.023 local terms energy: -63.023336 where: bonds (distance) C4'-P energy: -16.096 bonds (distance) P-C4' energy: -10.274 flat angles C4'-P-C4' energy: -13.341 flat angles P-C4'-P energy: -8.851 tors. eta vs tors. theta energy: -14.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -169.811193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.811193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.811193 (E_RNA) where: Base-Base interactions energy: -113.566 where: short stacking energy: -42.237 Base-Backbone interact. energy: -0.163 local terms energy: -56.082304 where: bonds (distance) C4'-P energy: -12.229 bonds (distance) P-C4' energy: -12.570 flat angles C4'-P-C4' energy: -11.360 flat angles P-C4'-P energy: -9.008 tors. eta vs tors. theta energy: -10.915 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: 7, replica: 2 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -168.884494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.884494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.884494 (E_RNA) where: Base-Base interactions energy: -101.621 where: short stacking energy: -50.819 Base-Backbone interact. energy: -0.789 local terms energy: -66.474667 where: bonds (distance) C4'-P energy: -13.020 bonds (distance) P-C4' energy: -15.594 flat angles C4'-P-C4' energy: -14.309 flat angles P-C4'-P energy: -10.034 tors. eta vs tors. theta energy: -13.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -108.824427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.824427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.824427 (E_RNA) where: Base-Base interactions energy: -51.647 where: short stacking energy: -31.272 Base-Backbone interact. energy: -0.165 local terms energy: -57.011926 where: bonds (distance) C4'-P energy: -12.325 bonds (distance) P-C4' energy: -15.805 flat angles C4'-P-C4' energy: -11.717 flat angles P-C4'-P energy: -10.196 tors. eta vs tors. theta energy: -6.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -81.511731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.511731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.511731 (E_RNA) where: Base-Base interactions energy: -32.606 where: short stacking energy: -32.220 Base-Backbone interact. energy: -0.032 local terms energy: -48.873558 where: bonds (distance) C4'-P energy: -12.845 bonds (distance) P-C4' energy: -14.467 flat angles C4'-P-C4' energy: -11.527 flat angles P-C4'-P energy: -4.547 tors. eta vs tors. theta energy: -5.488 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: 8 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -68.644429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.644429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.644429 (E_RNA) where: Base-Base interactions energy: -23.896 where: short stacking energy: -21.634 Base-Backbone interact. energy: -0.417 local terms energy: -44.331113 where: bonds (distance) C4'-P energy: -9.590 bonds (distance) P-C4' energy: -12.885 flat angles C4'-P-C4' energy: -14.654 flat angles P-C4'-P energy: -8.476 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: 1, replica: 9 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -216.562918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.562918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.562918 (E_RNA) where: Base-Base interactions energy: -140.585 where: short stacking energy: -62.294 Base-Backbone interact. energy: -0.779 local terms energy: -75.199085 where: bonds (distance) C4'-P energy: -15.600 bonds (distance) P-C4' energy: -14.343 flat angles C4'-P-C4' energy: -15.980 flat angles P-C4'-P energy: -12.867 tors. eta vs tors. theta energy: -16.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -214.419913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.419913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.419913 (E_RNA) where: Base-Base interactions energy: -142.279 where: short stacking energy: -65.900 Base-Backbone interact. energy: -0.430 local terms energy: -71.710953 where: bonds (distance) C4'-P energy: -13.956 bonds (distance) P-C4' energy: -16.029 flat angles C4'-P-C4' energy: -14.460 flat angles P-C4'-P energy: -9.385 tors. eta vs tors. theta energy: -17.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -181.367235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.367235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.367235 (E_RNA) where: Base-Base interactions energy: -129.227 where: short stacking energy: -53.825 Base-Backbone interact. energy: -0.110 local terms energy: -52.030180 where: bonds (distance) C4'-P energy: -9.399 bonds (distance) P-C4' energy: -14.514 flat angles C4'-P-C4' energy: -10.696 flat angles P-C4'-P energy: -8.935 tors. eta vs tors. theta energy: -8.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -187.307137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.307137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.307137 (E_RNA) where: Base-Base interactions energy: -133.174 where: short stacking energy: -57.044 Base-Backbone interact. energy: 0.635 local terms energy: -54.767492 where: bonds (distance) C4'-P energy: -10.768 bonds (distance) P-C4' energy: -12.149 flat angles C4'-P-C4' energy: -12.731 flat angles P-C4'-P energy: -4.720 tors. eta vs tors. theta energy: -14.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -182.621119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.621119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.621119 (E_RNA) where: Base-Base interactions energy: -117.082 where: short stacking energy: -45.034 Base-Backbone interact. energy: 1.409 local terms energy: -66.948135 where: bonds (distance) C4'-P energy: -13.476 bonds (distance) P-C4' energy: -13.495 flat angles C4'-P-C4' energy: -15.872 flat angles P-C4'-P energy: -10.704 tors. eta vs tors. theta energy: -13.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -180.055175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.055175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.055175 (E_RNA) where: Base-Base interactions energy: -115.642 where: short stacking energy: -47.705 Base-Backbone interact. energy: -0.001 local terms energy: -64.411517 where: bonds (distance) C4'-P energy: -14.754 bonds (distance) P-C4' energy: -14.167 flat angles C4'-P-C4' energy: -15.148 flat angles P-C4'-P energy: -8.650 tors. eta vs tors. theta energy: -11.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -164.157648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.157648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.157648 (E_RNA) where: Base-Base interactions energy: -108.311 where: short stacking energy: -49.458 Base-Backbone interact. energy: -0.430 local terms energy: -55.416523 where: bonds (distance) C4'-P energy: -9.651 bonds (distance) P-C4' energy: -15.720 flat angles C4'-P-C4' energy: -11.416 flat angles P-C4'-P energy: -4.861 tors. eta vs tors. theta energy: -13.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -92.537264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.537264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.537264 (E_RNA) where: Base-Base interactions energy: -34.281 where: short stacking energy: -34.216 Base-Backbone interact. energy: -0.050 local terms energy: -58.207156 where: bonds (distance) C4'-P energy: -13.089 bonds (distance) P-C4' energy: -16.840 flat angles C4'-P-C4' energy: -13.946 flat angles P-C4'-P energy: -9.511 tors. eta vs tors. theta energy: -4.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -94.841400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.841400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.841400 (E_RNA) where: Base-Base interactions energy: -49.873 where: short stacking energy: -25.515 Base-Backbone interact. energy: 0.313 local terms energy: -45.281761 where: bonds (distance) C4'-P energy: -14.568 bonds (distance) P-C4' energy: -10.602 flat angles C4'-P-C4' energy: -14.810 flat angles P-C4'-P energy: -5.433 tors. eta vs tors. theta energy: 0.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -75.067242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.067242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.067242 (E_RNA) where: Base-Base interactions energy: -32.153 where: short stacking energy: -21.374 Base-Backbone interact. energy: -0.382 local terms energy: -42.532281 where: bonds (distance) C4'-P energy: -9.885 bonds (distance) P-C4' energy: -9.018 flat angles C4'-P-C4' energy: -12.382 flat angles P-C4'-P energy: -7.392 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: 1, replica: 6 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -221.703973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.703973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.703973 (E_RNA) where: Base-Base interactions energy: -159.187 where: short stacking energy: -70.856 Base-Backbone interact. energy: -0.399 local terms energy: -62.118384 where: bonds (distance) C4'-P energy: -10.684 bonds (distance) P-C4' energy: -11.469 flat angles C4'-P-C4' energy: -12.798 flat angles P-C4'-P energy: -12.315 tors. eta vs tors. theta energy: -14.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -212.493615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.493615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.493615 (E_RNA) where: Base-Base interactions energy: -144.794 where: short stacking energy: -66.107 Base-Backbone interact. energy: -0.518 local terms energy: -67.181676 where: bonds (distance) C4'-P energy: -12.137 bonds (distance) P-C4' energy: -15.108 flat angles C4'-P-C4' energy: -13.495 flat angles P-C4'-P energy: -8.057 tors. eta vs tors. theta energy: -18.384 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: 7 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -205.618950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.618950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.618950 (E_RNA) where: Base-Base interactions energy: -133.738 where: short stacking energy: -64.369 Base-Backbone interact. energy: -0.085 local terms energy: -71.796233 where: bonds (distance) C4'-P energy: -16.766 bonds (distance) P-C4' energy: -15.118 flat angles C4'-P-C4' energy: -17.062 flat angles P-C4'-P energy: -7.606 tors. eta vs tors. theta energy: -15.244 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: 4 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -188.109565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.109565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.109565 (E_RNA) where: Base-Base interactions energy: -123.653 where: short stacking energy: -58.747 Base-Backbone interact. energy: -0.158 local terms energy: -64.298638 where: bonds (distance) C4'-P energy: -11.355 bonds (distance) P-C4' energy: -14.338 flat angles C4'-P-C4' energy: -14.011 flat angles P-C4'-P energy: -10.208 tors. eta vs tors. theta energy: -14.387 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: 2 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -184.187938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.187938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.187938 (E_RNA) where: Base-Base interactions energy: -125.360 where: short stacking energy: -62.074 Base-Backbone interact. energy: -0.168 local terms energy: -58.660354 where: bonds (distance) C4'-P energy: -10.771 bonds (distance) P-C4' energy: -10.216 flat angles C4'-P-C4' energy: -11.518 flat angles P-C4'-P energy: -10.694 tors. eta vs tors. theta energy: -15.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -171.279630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.279630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.279630 (E_RNA) where: Base-Base interactions energy: -103.849 where: short stacking energy: -49.871 Base-Backbone interact. energy: -0.469 local terms energy: -66.961786 where: bonds (distance) C4'-P energy: -16.749 bonds (distance) P-C4' energy: -12.540 flat angles C4'-P-C4' energy: -14.499 flat angles P-C4'-P energy: -11.832 tors. eta vs tors. theta energy: -11.342 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: 7, replica: 10 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -163.716786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.716786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.716786 (E_RNA) where: Base-Base interactions energy: -98.546 where: short stacking energy: -48.741 Base-Backbone interact. energy: -0.092 local terms energy: -65.079668 where: bonds (distance) C4'-P energy: -15.885 bonds (distance) P-C4' energy: -12.958 flat angles C4'-P-C4' energy: -17.026 flat angles P-C4'-P energy: -8.005 tors. eta vs tors. theta energy: -11.205 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: 8, replica: 3 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -117.626196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.626196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.626196 (E_RNA) where: Base-Base interactions energy: -71.018 where: short stacking energy: -41.171 Base-Backbone interact. energy: -0.222 local terms energy: -46.386182 where: bonds (distance) C4'-P energy: -9.761 bonds (distance) P-C4' energy: -12.389 flat angles C4'-P-C4' energy: -7.994 flat angles P-C4'-P energy: -8.341 tors. eta vs tors. theta energy: -7.901 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: 9, replica: 5 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -83.944761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.944761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.944761 (E_RNA) where: Base-Base interactions energy: -36.736 where: short stacking energy: -22.578 Base-Backbone interact. energy: 0.192 local terms energy: -47.400325 where: bonds (distance) C4'-P energy: -14.872 bonds (distance) P-C4' energy: -12.973 flat angles C4'-P-C4' energy: -14.614 flat angles P-C4'-P energy: 0.930 tors. eta vs tors. theta energy: -5.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -81.791986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.791986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.791986 (E_RNA) where: Base-Base interactions energy: -32.470 where: short stacking energy: -32.470 Base-Backbone interact. energy: -0.048 local terms energy: -49.273857 where: bonds (distance) C4'-P energy: -14.642 bonds (distance) P-C4' energy: -12.842 flat angles C4'-P-C4' energy: -11.278 flat angles P-C4'-P energy: -12.158 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: 1, replica: 6 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -220.852665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.852665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.852665 (E_RNA) where: Base-Base interactions energy: -150.741 where: short stacking energy: -59.719 Base-Backbone interact. energy: -0.652 local terms energy: -69.459870 where: bonds (distance) C4'-P energy: -12.883 bonds (distance) P-C4' energy: -16.886 flat angles C4'-P-C4' energy: -13.313 flat angles P-C4'-P energy: -11.829 tors. eta vs tors. theta energy: -14.549 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: 7 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -204.832145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.832145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.832145 (E_RNA) where: Base-Base interactions energy: -138.470 where: short stacking energy: -63.267 Base-Backbone interact. energy: -0.318 local terms energy: -66.044138 where: bonds (distance) C4'-P energy: -13.392 bonds (distance) P-C4' energy: -13.925 flat angles C4'-P-C4' energy: -12.912 flat angles P-C4'-P energy: -8.388 tors. eta vs tors. theta energy: -17.427 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: 9 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -212.895269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.895269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.895269 (E_RNA) where: Base-Base interactions energy: -147.532 where: short stacking energy: -61.862 Base-Backbone interact. energy: -0.111 local terms energy: -65.251564 where: bonds (distance) C4'-P energy: -14.510 bonds (distance) P-C4' energy: -12.214 flat angles C4'-P-C4' energy: -13.915 flat angles P-C4'-P energy: -4.160 tors. eta vs tors. theta energy: -20.453 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: 4 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -192.652696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.652696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.652696 (E_RNA) where: Base-Base interactions energy: -132.385 where: short stacking energy: -65.197 Base-Backbone interact. energy: -0.197 local terms energy: -60.070742 where: bonds (distance) C4'-P energy: -10.353 bonds (distance) P-C4' energy: -13.382 flat angles C4'-P-C4' energy: -15.878 flat angles P-C4'-P energy: -9.879 tors. eta vs tors. theta energy: -10.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -169.034600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.034600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.034600 (E_RNA) where: Base-Base interactions energy: -114.968 where: short stacking energy: -49.469 Base-Backbone interact. energy: 0.063 local terms energy: -54.129926 where: bonds (distance) C4'-P energy: -14.127 bonds (distance) P-C4' energy: -12.397 flat angles C4'-P-C4' energy: -10.180 flat angles P-C4'-P energy: -8.410 tors. eta vs tors. theta energy: -9.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -182.018270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.018270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.018270 (E_RNA) where: Base-Base interactions energy: -122.686 where: short stacking energy: -50.673 Base-Backbone interact. energy: -0.331 local terms energy: -59.001666 where: bonds (distance) C4'-P energy: -12.638 bonds (distance) P-C4' energy: -9.000 flat angles C4'-P-C4' energy: -15.711 flat angles P-C4'-P energy: -10.529 tors. eta vs tors. theta energy: -11.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -163.346452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.346452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.346452 (E_RNA) where: Base-Base interactions energy: -111.578 where: short stacking energy: -47.617 Base-Backbone interact. energy: -0.691 local terms energy: -51.077630 where: bonds (distance) C4'-P energy: -12.294 bonds (distance) P-C4' energy: -12.578 flat angles C4'-P-C4' energy: -13.246 flat angles P-C4'-P energy: -9.411 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: 8, replica: 3 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -122.028942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.028942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.028942 (E_RNA) where: Base-Base interactions energy: -72.094 where: short stacking energy: -40.202 Base-Backbone interact. energy: -0.211 local terms energy: -49.723561 where: bonds (distance) C4'-P energy: -10.677 bonds (distance) P-C4' energy: -15.082 flat angles C4'-P-C4' energy: -11.411 flat angles P-C4'-P energy: -8.635 tors. eta vs tors. theta energy: -3.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -73.873331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.873331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.873331 (E_RNA) where: Base-Base interactions energy: -26.203 where: short stacking energy: -24.856 Base-Backbone interact. energy: 1.993 local terms energy: -49.663442 where: bonds (distance) C4'-P energy: -16.187 bonds (distance) P-C4' energy: -14.892 flat angles C4'-P-C4' energy: -10.034 flat angles P-C4'-P energy: -3.939 tors. eta vs tors. theta energy: -4.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -68.271095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.271095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.271095 (E_RNA) where: Base-Base interactions energy: -17.783 where: short stacking energy: -17.783 Base-Backbone interact. energy: -0.169 local terms energy: -50.319381 where: bonds (distance) C4'-P energy: -14.630 bonds (distance) P-C4' energy: -13.274 flat angles C4'-P-C4' energy: -13.496 flat angles P-C4'-P energy: -9.634 tors. eta vs tors. theta energy: 0.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -219.384683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.384683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.384683 (E_RNA) where: Base-Base interactions energy: -151.905 where: short stacking energy: -60.352 Base-Backbone interact. energy: -0.900 local terms energy: -66.580166 where: bonds (distance) C4'-P energy: -15.035 bonds (distance) P-C4' energy: -12.796 flat angles C4'-P-C4' energy: -16.907 flat angles P-C4'-P energy: -5.530 tors. eta vs tors. theta energy: -16.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -207.460085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.460085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.460085 (E_RNA) where: Base-Base interactions energy: -136.879 where: short stacking energy: -62.515 Base-Backbone interact. energy: -0.008 local terms energy: -70.573058 where: bonds (distance) C4'-P energy: -14.311 bonds (distance) P-C4' energy: -16.219 flat angles C4'-P-C4' energy: -14.977 flat angles P-C4'-P energy: -7.905 tors. eta vs tors. theta energy: -17.162 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: 3, replica: 9 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -216.841188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.841188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.841188 (E_RNA) where: Base-Base interactions energy: -146.618 where: short stacking energy: -60.578 Base-Backbone interact. energy: -0.476 local terms energy: -69.747219 where: bonds (distance) C4'-P energy: -15.938 bonds (distance) P-C4' energy: -15.959 flat angles C4'-P-C4' energy: -14.619 flat angles P-C4'-P energy: -9.637 tors. eta vs tors. theta energy: -13.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -186.375430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.375430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.375430 (E_RNA) where: Base-Base interactions energy: -117.808 where: short stacking energy: -56.052 Base-Backbone interact. energy: -0.670 local terms energy: -67.896915 where: bonds (distance) C4'-P energy: -12.983 bonds (distance) P-C4' energy: -17.101 flat angles C4'-P-C4' energy: -13.045 flat angles P-C4'-P energy: -8.166 tors. eta vs tors. theta energy: -16.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -184.945084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.945084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.945084 (E_RNA) where: Base-Base interactions energy: -122.981 where: short stacking energy: -53.100 Base-Backbone interact. energy: -0.053 local terms energy: -61.911247 where: bonds (distance) C4'-P energy: -8.987 bonds (distance) P-C4' energy: -13.434 flat angles C4'-P-C4' energy: -15.770 flat angles P-C4'-P energy: -11.170 tors. eta vs tors. theta energy: -12.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -176.653044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.653044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.653044 (E_RNA) where: Base-Base interactions energy: -113.585 where: short stacking energy: -55.953 Base-Backbone interact. energy: -0.283 local terms energy: -62.785893 where: bonds (distance) C4'-P energy: -11.740 bonds (distance) P-C4' energy: -12.316 flat angles C4'-P-C4' energy: -14.311 flat angles P-C4'-P energy: -11.279 tors. eta vs tors. theta energy: -13.141 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: 3 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -152.087169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.087169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.087169 (E_RNA) where: Base-Base interactions energy: -99.277 where: short stacking energy: -37.852 Base-Backbone interact. energy: -0.330 local terms energy: -52.480588 where: bonds (distance) C4'-P energy: -13.176 bonds (distance) P-C4' energy: -13.128 flat angles C4'-P-C4' energy: -11.007 flat angles P-C4'-P energy: -8.238 tors. eta vs tors. theta energy: -6.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -162.046320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.046320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.046320 (E_RNA) where: Base-Base interactions energy: -110.199 where: short stacking energy: -54.137 Base-Backbone interact. energy: -0.136 local terms energy: -51.710791 where: bonds (distance) C4'-P energy: -16.264 bonds (distance) P-C4' energy: -8.589 flat angles C4'-P-C4' energy: -12.019 flat angles P-C4'-P energy: -6.093 tors. eta vs tors. theta energy: -8.746 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: 5 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -76.464725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.464725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.464725 (E_RNA) where: Base-Base interactions energy: -29.452 where: short stacking energy: -24.890 Base-Backbone interact. energy: -0.177 local terms energy: -46.835334 where: bonds (distance) C4'-P energy: -12.452 bonds (distance) P-C4' energy: -13.327 flat angles C4'-P-C4' energy: -12.591 flat angles P-C4'-P energy: -10.673 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: 10, replica: 8 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -82.780347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.780347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.780347 (E_RNA) where: Base-Base interactions energy: -37.949 where: short stacking energy: -33.818 Base-Backbone interact. energy: 2.457 local terms energy: -47.288351 where: bonds (distance) C4'-P energy: -11.554 bonds (distance) P-C4' energy: -15.691 flat angles C4'-P-C4' energy: -11.863 flat angles P-C4'-P energy: -6.698 tors. eta vs tors. theta energy: -1.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -221.629635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.629635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.629635 (E_RNA) where: Base-Base interactions energy: -154.166 where: short stacking energy: -68.485 Base-Backbone interact. energy: -0.610 local terms energy: -66.853547 where: bonds (distance) C4'-P energy: -12.107 bonds (distance) P-C4' energy: -15.498 flat angles C4'-P-C4' energy: -13.510 flat angles P-C4'-P energy: -7.834 tors. eta vs tors. theta energy: -17.905 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: 9 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -211.926799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.926799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.926799 (E_RNA) where: Base-Base interactions energy: -148.009 where: short stacking energy: -52.240 Base-Backbone interact. energy: -0.419 local terms energy: -63.499300 where: bonds (distance) C4'-P energy: -14.438 bonds (distance) P-C4' energy: -14.726 flat angles C4'-P-C4' energy: -14.135 flat angles P-C4'-P energy: -10.097 tors. eta vs tors. theta energy: -10.102 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: 7 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -199.651404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.651404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.651404 (E_RNA) where: Base-Base interactions energy: -130.140 where: short stacking energy: -55.669 Base-Backbone interact. energy: -0.007 local terms energy: -69.504495 where: bonds (distance) C4'-P energy: -12.697 bonds (distance) P-C4' energy: -11.883 flat angles C4'-P-C4' energy: -18.067 flat angles P-C4'-P energy: -9.626 tors. eta vs tors. theta energy: -17.232 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: 4 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -198.520961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.520961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.520961 (E_RNA) where: Base-Base interactions energy: -127.621 where: short stacking energy: -61.022 Base-Backbone interact. energy: -0.100 local terms energy: -70.799135 where: bonds (distance) C4'-P energy: -13.992 bonds (distance) P-C4' energy: -16.861 flat angles C4'-P-C4' energy: -13.240 flat angles P-C4'-P energy: -10.519 tors. eta vs tors. theta energy: -16.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -173.433397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.433397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.433397 (E_RNA) where: Base-Base interactions energy: -114.486 where: short stacking energy: -56.390 Base-Backbone interact. energy: -0.083 local terms energy: -58.864182 where: bonds (distance) C4'-P energy: -12.518 bonds (distance) P-C4' energy: -12.280 flat angles C4'-P-C4' energy: -9.036 flat angles P-C4'-P energy: -10.775 tors. eta vs tors. theta energy: -14.255 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: 3 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -181.925303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.925303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.925303 (E_RNA) where: Base-Base interactions energy: -125.226 where: short stacking energy: -52.337 Base-Backbone interact. energy: -0.524 local terms energy: -56.174739 where: bonds (distance) C4'-P energy: -13.339 bonds (distance) P-C4' energy: -13.419 flat angles C4'-P-C4' energy: -15.383 flat angles P-C4'-P energy: -5.855 tors. eta vs tors. theta energy: -8.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -140.421230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.421230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.421230 (E_RNA) where: Base-Base interactions energy: -84.361 where: short stacking energy: -42.355 Base-Backbone interact. energy: -0.165 local terms energy: -55.895378 where: bonds (distance) C4'-P energy: -17.138 bonds (distance) P-C4' energy: -13.719 flat angles C4'-P-C4' energy: -10.232 flat angles P-C4'-P energy: -8.857 tors. eta vs tors. theta energy: -5.949 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: 1 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -157.853567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.853567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.853567 (E_RNA) where: Base-Base interactions energy: -103.893 where: short stacking energy: -41.339 Base-Backbone interact. energy: -0.232 local terms energy: -53.728649 where: bonds (distance) C4'-P energy: -12.414 bonds (distance) P-C4' energy: -9.825 flat angles C4'-P-C4' energy: -12.982 flat angles P-C4'-P energy: -11.557 tors. eta vs tors. theta energy: -6.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -104.317401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.317401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.317401 (E_RNA) where: Base-Base interactions energy: -51.083 where: short stacking energy: -38.841 Base-Backbone interact. energy: -0.103 local terms energy: -53.131005 where: bonds (distance) C4'-P energy: -9.998 bonds (distance) P-C4' energy: -11.895 flat angles C4'-P-C4' energy: -12.008 flat angles P-C4'-P energy: -8.588 tors. eta vs tors. theta energy: -10.642 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: 8 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -75.302990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.302990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.302990 (E_RNA) where: Base-Base interactions energy: -31.053 where: short stacking energy: -31.053 Base-Backbone interact. energy: 1.980 local terms energy: -46.230327 where: bonds (distance) C4'-P energy: -12.882 bonds (distance) P-C4' energy: -13.157 flat angles C4'-P-C4' energy: -10.678 flat angles P-C4'-P energy: -6.484 tors. eta vs tors. theta energy: -3.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -223.705266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.705266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.705266 (E_RNA) where: Base-Base interactions energy: -158.712 where: short stacking energy: -66.924 Base-Backbone interact. energy: -0.238 local terms energy: -64.755585 where: bonds (distance) C4'-P energy: -12.812 bonds (distance) P-C4' energy: -13.905 flat angles C4'-P-C4' energy: -14.927 flat angles P-C4'-P energy: -5.486 tors. eta vs tors. theta energy: -17.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -215.013976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.013976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.013976 (E_RNA) where: Base-Base interactions energy: -146.855 where: short stacking energy: -53.299 Base-Backbone interact. energy: -0.196 local terms energy: -67.963048 where: bonds (distance) C4'-P energy: -15.093 bonds (distance) P-C4' energy: -15.973 flat angles C4'-P-C4' energy: -14.487 flat angles P-C4'-P energy: -10.665 tors. eta vs tors. theta energy: -11.745 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: 7 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -189.274570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.274570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.274570 (E_RNA) where: Base-Base interactions energy: -120.611 where: short stacking energy: -53.947 Base-Backbone interact. energy: -0.201 local terms energy: -68.462187 where: bonds (distance) C4'-P energy: -15.818 bonds (distance) P-C4' energy: -13.268 flat angles C4'-P-C4' energy: -16.702 flat angles P-C4'-P energy: -9.148 tors. eta vs tors. theta energy: -13.527 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: 4 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -185.050474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.050474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.050474 (E_RNA) where: Base-Base interactions energy: -123.767 where: short stacking energy: -53.328 Base-Backbone interact. energy: -0.070 local terms energy: -61.212793 where: bonds (distance) C4'-P energy: -15.732 bonds (distance) P-C4' energy: -7.699 flat angles C4'-P-C4' energy: -14.523 flat angles P-C4'-P energy: -8.154 tors. eta vs tors. theta energy: -15.105 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: 5, replica: 10 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -182.035811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.035811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.035811 (E_RNA) where: Base-Base interactions energy: -119.823 where: short stacking energy: -53.622 Base-Backbone interact. energy: -0.084 local terms energy: -62.129414 where: bonds (distance) C4'-P energy: -10.256 bonds (distance) P-C4' energy: -15.183 flat angles C4'-P-C4' energy: -14.641 flat angles P-C4'-P energy: -6.622 tors. eta vs tors. theta energy: -15.428 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: 3 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -166.258491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.258491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.258491 (E_RNA) where: Base-Base interactions energy: -114.750 where: short stacking energy: -37.652 Base-Backbone interact. energy: 2.244 local terms energy: -53.752821 where: bonds (distance) C4'-P energy: -15.814 bonds (distance) P-C4' energy: -16.840 flat angles C4'-P-C4' energy: -12.436 flat angles P-C4'-P energy: -7.510 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: 7, replica: 1 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -163.383365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.383365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.383365 (E_RNA) where: Base-Base interactions energy: -106.081 where: short stacking energy: -48.479 Base-Backbone interact. energy: -0.144 local terms energy: -57.158744 where: bonds (distance) C4'-P energy: -11.458 bonds (distance) P-C4' energy: -15.265 flat angles C4'-P-C4' energy: -10.759 flat angles P-C4'-P energy: -7.837 tors. eta vs tors. theta energy: -11.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -96.184713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.184713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.184713 (E_RNA) where: Base-Base interactions energy: -41.663 where: short stacking energy: -21.726 Base-Backbone interact. energy: 0.772 local terms energy: -55.293961 where: bonds (distance) C4'-P energy: -15.591 bonds (distance) P-C4' energy: -16.661 flat angles C4'-P-C4' energy: -10.695 flat angles P-C4'-P energy: -9.920 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: 9, replica: 8 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -79.748782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.748782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.748782 (E_RNA) where: Base-Base interactions energy: -30.934 where: short stacking energy: -30.934 Base-Backbone interact. energy: -0.048 local terms energy: -48.766454 where: bonds (distance) C4'-P energy: -15.436 bonds (distance) P-C4' energy: -10.994 flat angles C4'-P-C4' energy: -10.521 flat angles P-C4'-P energy: -10.249 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: 10, replica: 5 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -79.087066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.087066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.087066 (E_RNA) where: Base-Base interactions energy: -37.126 where: short stacking energy: -33.625 Base-Backbone interact. energy: -0.119 local terms energy: -41.841940 where: bonds (distance) C4'-P energy: -8.056 bonds (distance) P-C4' energy: -12.377 flat angles C4'-P-C4' energy: -13.130 flat angles P-C4'-P energy: -4.850 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: 1, replica: 6 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -221.410147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.410147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.410147 (E_RNA) where: Base-Base interactions energy: -156.755 where: short stacking energy: -62.455 Base-Backbone interact. energy: -0.082 local terms energy: -64.573244 where: bonds (distance) C4'-P energy: -12.386 bonds (distance) P-C4' energy: -14.124 flat angles C4'-P-C4' energy: -14.101 flat angles P-C4'-P energy: -7.850 tors. eta vs tors. theta energy: -16.111 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: 9 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -216.178821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.178821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.178821 (E_RNA) where: Base-Base interactions energy: -152.355 where: short stacking energy: -60.019 Base-Backbone interact. energy: -0.649 local terms energy: -63.175046 where: bonds (distance) C4'-P energy: -11.222 bonds (distance) P-C4' energy: -13.552 flat angles C4'-P-C4' energy: -12.367 flat angles P-C4'-P energy: -11.420 tors. eta vs tors. theta energy: -14.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -193.942496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.942496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.942496 (E_RNA) where: Base-Base interactions energy: -132.325 where: short stacking energy: -60.968 Base-Backbone interact. energy: 0.356 local terms energy: -61.973654 where: bonds (distance) C4'-P energy: -10.962 bonds (distance) P-C4' energy: -12.930 flat angles C4'-P-C4' energy: -13.774 flat angles P-C4'-P energy: -7.970 tors. eta vs tors. theta energy: -16.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -189.668302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.668302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.668302 (E_RNA) where: Base-Base interactions energy: -124.710 where: short stacking energy: -64.871 Base-Backbone interact. energy: -0.246 local terms energy: -64.711621 where: bonds (distance) C4'-P energy: -12.966 bonds (distance) P-C4' energy: -16.189 flat angles C4'-P-C4' energy: -11.268 flat angles P-C4'-P energy: -7.517 tors. eta vs tors. theta energy: -16.771 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: 403 Temperature: 1.100000 Total energy: -180.220854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.220854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.220854 (E_RNA) where: Base-Base interactions energy: -115.168 where: short stacking energy: -53.056 Base-Backbone interact. energy: -1.251 local terms energy: -63.801985 where: bonds (distance) C4'-P energy: -10.964 bonds (distance) P-C4' energy: -15.353 flat angles C4'-P-C4' energy: -10.661 flat angles P-C4'-P energy: -11.777 tors. eta vs tors. theta energy: -15.048 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: 403 Temperature: 1.150000 Total energy: -184.214281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.214281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.214281 (E_RNA) where: Base-Base interactions energy: -122.111 where: short stacking energy: -49.359 Base-Backbone interact. energy: -0.656 local terms energy: -61.447924 where: bonds (distance) C4'-P energy: -14.548 bonds (distance) P-C4' energy: -11.713 flat angles C4'-P-C4' energy: -11.337 flat angles P-C4'-P energy: -11.833 tors. eta vs tors. theta energy: -12.017 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: 3 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -162.375345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.375345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.375345 (E_RNA) where: Base-Base interactions energy: -112.205 where: short stacking energy: -44.368 Base-Backbone interact. energy: -0.281 local terms energy: -49.889229 where: bonds (distance) C4'-P energy: -11.553 bonds (distance) P-C4' energy: -15.207 flat angles C4'-P-C4' energy: -14.092 flat angles P-C4'-P energy: -3.492 tors. eta vs tors. theta energy: -5.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -96.633165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.633165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.633165 (E_RNA) where: Base-Base interactions energy: -52.234 where: short stacking energy: -39.270 Base-Backbone interact. energy: 0.464 local terms energy: -44.862827 where: bonds (distance) C4'-P energy: -13.569 bonds (distance) P-C4' energy: -17.284 flat angles C4'-P-C4' energy: -9.671 flat angles P-C4'-P energy: 1.290 tors. eta vs tors. theta energy: -5.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -89.286682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.286682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.286682 (E_RNA) where: Base-Base interactions energy: -45.984 where: short stacking energy: -16.223 Base-Backbone interact. energy: 1.483 local terms energy: -44.785773 where: bonds (distance) C4'-P energy: -14.091 bonds (distance) P-C4' energy: -11.226 flat angles C4'-P-C4' energy: -8.713 flat angles P-C4'-P energy: -6.605 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: 10, replica: 5 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -80.361578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.361578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.361578 (E_RNA) where: Base-Base interactions energy: -30.330 where: short stacking energy: -21.585 Base-Backbone interact. energy: -0.245 local terms energy: -49.786863 where: bonds (distance) C4'-P energy: -13.301 bonds (distance) P-C4' energy: -14.097 flat angles C4'-P-C4' energy: -11.025 flat angles P-C4'-P energy: -9.822 tors. eta vs tors. theta energy: -1.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -220.257420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.257420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.257420 (E_RNA) where: Base-Base interactions energy: -152.255 where: short stacking energy: -58.384 Base-Backbone interact. energy: -0.708 local terms energy: -67.294500 where: bonds (distance) C4'-P energy: -15.590 bonds (distance) P-C4' energy: -9.950 flat angles C4'-P-C4' energy: -15.210 flat angles P-C4'-P energy: -11.119 tors. eta vs tors. theta energy: -15.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -220.060659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.060659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.060659 (E_RNA) where: Base-Base interactions energy: -153.347 where: short stacking energy: -56.599 Base-Backbone interact. energy: -0.314 local terms energy: -66.400120 where: bonds (distance) C4'-P energy: -15.404 bonds (distance) P-C4' energy: -16.027 flat angles C4'-P-C4' energy: -11.697 flat angles P-C4'-P energy: -10.871 tors. eta vs tors. theta energy: -12.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -196.843531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.843531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.843531 (E_RNA) where: Base-Base interactions energy: -135.950 where: short stacking energy: -65.055 Base-Backbone interact. energy: -0.116 local terms energy: -60.778059 where: bonds (distance) C4'-P energy: -14.505 bonds (distance) P-C4' energy: -13.394 flat angles C4'-P-C4' energy: -13.686 flat angles P-C4'-P energy: -6.651 tors. eta vs tors. theta energy: -12.541 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: 4, replica: 10 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -194.003169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.003169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.003169 (E_RNA) where: Base-Base interactions energy: -127.132 where: short stacking energy: -58.506 Base-Backbone interact. energy: -0.579 local terms energy: -66.292996 where: bonds (distance) C4'-P energy: -12.230 bonds (distance) P-C4' energy: -10.258 flat angles C4'-P-C4' energy: -15.988 flat angles P-C4'-P energy: -11.428 tors. eta vs tors. theta energy: -16.389 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: 5, replica: 1 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -185.790655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.790655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.790655 (E_RNA) where: Base-Base interactions energy: -115.937 where: short stacking energy: -55.492 Base-Backbone interact. energy: -0.000 local terms energy: -69.853501 where: bonds (distance) C4'-P energy: -10.685 bonds (distance) P-C4' energy: -18.265 flat angles C4'-P-C4' energy: -14.392 flat angles P-C4'-P energy: -9.438 tors. eta vs tors. theta energy: -17.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -179.417522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.417522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.417522 (E_RNA) where: Base-Base interactions energy: -112.487 where: short stacking energy: -48.866 Base-Backbone interact. energy: -0.293 local terms energy: -66.637965 where: bonds (distance) C4'-P energy: -9.776 bonds (distance) P-C4' energy: -17.796 flat angles C4'-P-C4' energy: -11.990 flat angles P-C4'-P energy: -10.464 tors. eta vs tors. theta energy: -16.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -162.011944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.011944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.011944 (E_RNA) where: Base-Base interactions energy: -110.050 where: short stacking energy: -36.705 Base-Backbone interact. energy: -0.681 local terms energy: -51.281412 where: bonds (distance) C4'-P energy: -14.559 bonds (distance) P-C4' energy: -15.244 flat angles C4'-P-C4' energy: -13.373 flat angles P-C4'-P energy: -3.700 tors. eta vs tors. theta energy: -4.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -90.827213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.827213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.827213 (E_RNA) where: Base-Base interactions energy: -39.471 where: short stacking energy: -31.151 Base-Backbone interact. energy: -0.032 local terms energy: -51.324429 where: bonds (distance) C4'-P energy: -10.978 bonds (distance) P-C4' energy: -13.313 flat angles C4'-P-C4' energy: -14.515 flat angles P-C4'-P energy: -8.899 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: 9, replica: 5 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -89.697823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.697823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.697823 (E_RNA) where: Base-Base interactions energy: -39.171 where: short stacking energy: -39.171 Base-Backbone interact. energy: -0.101 local terms energy: -50.425928 where: bonds (distance) C4'-P energy: -11.967 bonds (distance) P-C4' energy: -11.765 flat angles C4'-P-C4' energy: -12.285 flat angles P-C4'-P energy: -8.875 tors. eta vs tors. theta energy: -5.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -80.817220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.817220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.817220 (E_RNA) where: Base-Base interactions energy: -31.794 where: short stacking energy: -20.292 Base-Backbone interact. energy: -0.132 local terms energy: -48.891610 where: bonds (distance) C4'-P energy: -15.044 bonds (distance) P-C4' energy: -14.091 flat angles C4'-P-C4' energy: -14.124 flat angles P-C4'-P energy: -4.873 tors. eta vs tors. theta energy: -0.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -221.128395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.128395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.128395 (E_RNA) where: Base-Base interactions energy: -155.189 where: short stacking energy: -59.301 Base-Backbone interact. energy: -0.528 local terms energy: -65.411494 where: bonds (distance) C4'-P energy: -13.048 bonds (distance) P-C4' energy: -9.824 flat angles C4'-P-C4' energy: -13.549 flat angles P-C4'-P energy: -11.556 tors. eta vs tors. theta energy: -17.434 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: 9 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -218.867711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.867711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.867711 (E_RNA) where: Base-Base interactions energy: -152.264 where: short stacking energy: -61.212 Base-Backbone interact. energy: -0.373 local terms energy: -66.231578 where: bonds (distance) C4'-P energy: -12.105 bonds (distance) P-C4' energy: -13.500 flat angles C4'-P-C4' energy: -15.245 flat angles P-C4'-P energy: -11.496 tors. eta vs tors. theta energy: -13.886 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: 405 Temperature: 1.000000 Total energy: -181.771898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.771898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.771898 (E_RNA) where: Base-Base interactions energy: -128.316 where: short stacking energy: -49.797 Base-Backbone interact. energy: -0.354 local terms energy: -53.101926 where: bonds (distance) C4'-P energy: -9.211 bonds (distance) P-C4' energy: -15.410 flat angles C4'-P-C4' energy: -15.442 flat angles P-C4'-P energy: -8.444 tors. eta vs tors. theta energy: -4.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -182.908861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.908861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.908861 (E_RNA) where: Base-Base interactions energy: -119.732 where: short stacking energy: -59.494 Base-Backbone interact. energy: -0.127 local terms energy: -63.049146 where: bonds (distance) C4'-P energy: -10.535 bonds (distance) P-C4' energy: -14.962 flat angles C4'-P-C4' energy: -14.306 flat angles P-C4'-P energy: -11.598 tors. eta vs tors. theta energy: -11.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -186.356246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.356246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.356246 (E_RNA) where: Base-Base interactions energy: -118.673 where: short stacking energy: -51.670 Base-Backbone interact. energy: -0.157 local terms energy: -67.526421 where: bonds (distance) C4'-P energy: -14.949 bonds (distance) P-C4' energy: -16.153 flat angles C4'-P-C4' energy: -13.465 flat angles P-C4'-P energy: -6.589 tors. eta vs tors. theta energy: -16.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -152.487573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.487573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.487573 (E_RNA) where: Base-Base interactions energy: -107.566 where: short stacking energy: -43.607 Base-Backbone interact. energy: -0.251 local terms energy: -44.670520 where: bonds (distance) C4'-P energy: -11.875 bonds (distance) P-C4' energy: -14.812 flat angles C4'-P-C4' energy: -10.423 flat angles P-C4'-P energy: 1.287 tors. eta vs tors. theta energy: -8.847 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: 7, replica: 4 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -182.500271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.500271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.500271 (E_RNA) where: Base-Base interactions energy: -120.522 where: short stacking energy: -54.850 Base-Backbone interact. energy: 0.123 local terms energy: -62.101272 where: bonds (distance) C4'-P energy: -10.523 bonds (distance) P-C4' energy: -15.902 flat angles C4'-P-C4' energy: -11.329 flat angles P-C4'-P energy: -7.502 tors. eta vs tors. theta energy: -16.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -90.478016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.478016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.478016 (E_RNA) where: Base-Base interactions energy: -37.046 where: short stacking energy: -37.046 Base-Backbone interact. energy: -0.084 local terms energy: -53.348325 where: bonds (distance) C4'-P energy: -15.893 bonds (distance) P-C4' energy: -14.856 flat angles C4'-P-C4' energy: -13.162 flat angles P-C4'-P energy: -5.325 tors. eta vs tors. theta energy: -4.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -85.072802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.072802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.072802 (E_RNA) where: Base-Base interactions energy: -38.146 where: short stacking energy: -24.212 Base-Backbone interact. energy: -0.359 local terms energy: -46.567497 where: bonds (distance) C4'-P energy: -14.978 bonds (distance) P-C4' energy: -12.902 flat angles C4'-P-C4' energy: -10.901 flat angles P-C4'-P energy: -7.614 tors. eta vs tors. theta energy: -0.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -76.786838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.786838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.786838 (E_RNA) where: Base-Base interactions energy: -41.776 where: short stacking energy: -17.892 Base-Backbone interact. energy: 0.150 local terms energy: -35.160971 where: bonds (distance) C4'-P energy: -7.613 bonds (distance) P-C4' energy: -11.143 flat angles C4'-P-C4' energy: -11.340 flat angles P-C4'-P energy: -7.725 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: 1, replica: 6 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -221.283910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.283910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.283910 (E_RNA) where: Base-Base interactions energy: -158.953 where: short stacking energy: -64.811 Base-Backbone interact. energy: -0.600 local terms energy: -61.730209 where: bonds (distance) C4'-P energy: -13.930 bonds (distance) P-C4' energy: -13.409 flat angles C4'-P-C4' energy: -13.592 flat angles P-C4'-P energy: -6.251 tors. eta vs tors. theta energy: -14.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -216.798795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.798795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.798795 (E_RNA) where: Base-Base interactions energy: -152.079 where: short stacking energy: -61.328 Base-Backbone interact. energy: -0.113 local terms energy: -64.606892 where: bonds (distance) C4'-P energy: -15.502 bonds (distance) P-C4' energy: -13.510 flat angles C4'-P-C4' energy: -12.661 flat angles P-C4'-P energy: -8.641 tors. eta vs tors. theta energy: -14.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -184.371007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.371007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.371007 (E_RNA) where: Base-Base interactions energy: -126.479 where: short stacking energy: -52.971 Base-Backbone interact. energy: 0.470 local terms energy: -58.362167 where: bonds (distance) C4'-P energy: -14.758 bonds (distance) P-C4' energy: -14.134 flat angles C4'-P-C4' energy: -13.041 flat angles P-C4'-P energy: -6.893 tors. eta vs tors. theta energy: -9.537 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: 10 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -183.674980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.674980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.674980 (E_RNA) where: Base-Base interactions energy: -121.223 where: short stacking energy: -56.646 Base-Backbone interact. energy: -0.201 local terms energy: -62.251023 where: bonds (distance) C4'-P energy: -15.850 bonds (distance) P-C4' energy: -12.767 flat angles C4'-P-C4' energy: -15.269 flat angles P-C4'-P energy: -4.125 tors. eta vs tors. theta energy: -14.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -180.340349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.340349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.340349 (E_RNA) where: Base-Base interactions energy: -112.330 where: short stacking energy: -59.894 Base-Backbone interact. energy: -0.003 local terms energy: -68.007177 where: bonds (distance) C4'-P energy: -15.404 bonds (distance) P-C4' energy: -15.456 flat angles C4'-P-C4' energy: -14.081 flat angles P-C4'-P energy: -6.250 tors. eta vs tors. theta energy: -16.816 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: 3 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -174.037050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.037050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.037050 (E_RNA) where: Base-Base interactions energy: -110.558 where: short stacking energy: -42.539 Base-Backbone interact. energy: -0.318 local terms energy: -63.160994 where: bonds (distance) C4'-P energy: -14.890 bonds (distance) P-C4' energy: -17.091 flat angles C4'-P-C4' energy: -12.169 flat angles P-C4'-P energy: -11.042 tors. eta vs tors. theta energy: -7.970 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: 4 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -170.310424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.310424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.310424 (E_RNA) where: Base-Base interactions energy: -111.610 where: short stacking energy: -52.525 Base-Backbone interact. energy: 0.234 local terms energy: -58.934972 where: bonds (distance) C4'-P energy: -14.323 bonds (distance) P-C4' energy: -12.601 flat angles C4'-P-C4' energy: -14.419 flat angles P-C4'-P energy: -7.271 tors. eta vs tors. theta energy: -10.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -77.050303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.050303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.050303 (E_RNA) where: Base-Base interactions energy: -25.482 where: short stacking energy: -25.344 Base-Backbone interact. energy: -0.182 local terms energy: -51.386202 where: bonds (distance) C4'-P energy: -12.093 bonds (distance) P-C4' energy: -15.033 flat angles C4'-P-C4' energy: -9.664 flat angles P-C4'-P energy: -10.641 tors. eta vs tors. theta energy: -3.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -89.325087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.325087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.325087 (E_RNA) where: Base-Base interactions energy: -33.342 where: short stacking energy: -32.608 Base-Backbone interact. energy: -0.123 local terms energy: -55.860223 where: bonds (distance) C4'-P energy: -11.251 bonds (distance) P-C4' energy: -12.693 flat angles C4'-P-C4' energy: -9.917 flat angles P-C4'-P energy: -9.012 tors. eta vs tors. theta energy: -12.988 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: 8 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -83.837408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.837408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.837408 (E_RNA) where: Base-Base interactions energy: -37.266 where: short stacking energy: -37.266 Base-Backbone interact. energy: -0.062 local terms energy: -46.509525 where: bonds (distance) C4'-P energy: -14.539 bonds (distance) P-C4' energy: -10.551 flat angles C4'-P-C4' energy: -9.415 flat angles P-C4'-P energy: -6.283 tors. eta vs tors. theta energy: -5.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -222.901907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.901907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.901907 (E_RNA) where: Base-Base interactions energy: -153.977 where: short stacking energy: -66.003 Base-Backbone interact. energy: -0.858 local terms energy: -68.067664 where: bonds (distance) C4'-P energy: -14.507 bonds (distance) P-C4' energy: -15.268 flat angles C4'-P-C4' energy: -14.041 flat angles P-C4'-P energy: -6.287 tors. eta vs tors. theta energy: -17.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -191.284473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.284473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.284473 (E_RNA) where: Base-Base interactions energy: -134.266 where: short stacking energy: -55.648 Base-Backbone interact. energy: 2.026 local terms energy: -59.044721 where: bonds (distance) C4'-P energy: -12.865 bonds (distance) P-C4' energy: -12.415 flat angles C4'-P-C4' energy: -13.730 flat angles P-C4'-P energy: -10.487 tors. eta vs tors. theta energy: -9.548 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: 9 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -219.152940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.152940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.152940 (E_RNA) where: Base-Base interactions energy: -149.489 where: short stacking energy: -57.434 Base-Backbone interact. energy: -0.109 local terms energy: -69.554831 where: bonds (distance) C4'-P energy: -14.552 bonds (distance) P-C4' energy: -15.609 flat angles C4'-P-C4' energy: -13.516 flat angles P-C4'-P energy: -10.638 tors. eta vs tors. theta energy: -15.239 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: 1 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -172.840750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.840750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.840750 (E_RNA) where: Base-Base interactions energy: -116.613 where: short stacking energy: -48.259 Base-Backbone interact. energy: -0.119 local terms energy: -56.108189 where: bonds (distance) C4'-P energy: -13.888 bonds (distance) P-C4' energy: -10.039 flat angles C4'-P-C4' energy: -12.638 flat angles P-C4'-P energy: -9.000 tors. eta vs tors. theta energy: -10.543 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: 10 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -181.392867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.392867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.392867 (E_RNA) where: Base-Base interactions energy: -113.838 where: short stacking energy: -42.109 Base-Backbone interact. energy: -0.081 local terms energy: -67.474034 where: bonds (distance) C4'-P energy: -13.276 bonds (distance) P-C4' energy: -17.231 flat angles C4'-P-C4' energy: -14.298 flat angles P-C4'-P energy: -8.871 tors. eta vs tors. theta energy: -13.798 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: 6, replica: 4 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -176.993078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.993078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.993078 (E_RNA) where: Base-Base interactions energy: -116.582 where: short stacking energy: -55.792 Base-Backbone interact. energy: 0.146 local terms energy: -60.557906 where: bonds (distance) C4'-P energy: -11.103 bonds (distance) P-C4' energy: -12.968 flat angles C4'-P-C4' energy: -12.959 flat angles P-C4'-P energy: -4.312 tors. eta vs tors. theta energy: -19.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -158.888377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.888377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.888377 (E_RNA) where: Base-Base interactions energy: -104.511 where: short stacking energy: -36.843 Base-Backbone interact. energy: -0.704 local terms energy: -53.672754 where: bonds (distance) C4'-P energy: -11.599 bonds (distance) P-C4' energy: -16.051 flat angles C4'-P-C4' energy: -11.307 flat angles P-C4'-P energy: -10.312 tors. eta vs tors. theta energy: -4.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -87.292904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.292904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.292904 (E_RNA) where: Base-Base interactions energy: -30.138 where: short stacking energy: -20.724 Base-Backbone interact. energy: -0.181 local terms energy: -56.973423 where: bonds (distance) C4'-P energy: -11.864 bonds (distance) P-C4' energy: -16.883 flat angles C4'-P-C4' energy: -15.810 flat angles P-C4'-P energy: -11.863 tors. eta vs tors. theta energy: -0.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -85.391308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.391308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.391308 (E_RNA) where: Base-Base interactions energy: -29.683 where: short stacking energy: -29.683 Base-Backbone interact. energy: -0.127 local terms energy: -55.581960 where: bonds (distance) C4'-P energy: -14.103 bonds (distance) P-C4' energy: -12.922 flat angles C4'-P-C4' energy: -13.514 flat angles P-C4'-P energy: -10.654 tors. eta vs tors. theta energy: -4.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -95.198321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.198321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.198321 (E_RNA) where: Base-Base interactions energy: -54.371 where: short stacking energy: -22.974 Base-Backbone interact. energy: -0.296 local terms energy: -40.531242 where: bonds (distance) C4'-P energy: -13.665 bonds (distance) P-C4' energy: -15.308 flat angles C4'-P-C4' energy: -6.804 flat angles P-C4'-P energy: -6.635 tors. eta vs tors. theta energy: 1.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -222.603804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.603804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.603804 (E_RNA) where: Base-Base interactions energy: -159.352 where: short stacking energy: -66.310 Base-Backbone interact. energy: -0.161 local terms energy: -63.091257 where: bonds (distance) C4'-P energy: -14.431 bonds (distance) P-C4' energy: -13.501 flat angles C4'-P-C4' energy: -12.161 flat angles P-C4'-P energy: -8.166 tors. eta vs tors. theta energy: -14.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -202.119654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.119654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.119654 (E_RNA) where: Base-Base interactions energy: -138.644 where: short stacking energy: -63.988 Base-Backbone interact. energy: -0.147 local terms energy: -63.328138 where: bonds (distance) C4'-P energy: -15.388 bonds (distance) P-C4' energy: -16.500 flat angles C4'-P-C4' energy: -12.985 flat angles P-C4'-P energy: -5.181 tors. eta vs tors. theta energy: -13.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -194.480241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.480241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.480241 (E_RNA) where: Base-Base interactions energy: -128.935 where: short stacking energy: -65.140 Base-Backbone interact. energy: 1.721 local terms energy: -67.265526 where: bonds (distance) C4'-P energy: -15.797 bonds (distance) P-C4' energy: -13.053 flat angles C4'-P-C4' energy: -13.686 flat angles P-C4'-P energy: -8.920 tors. eta vs tors. theta energy: -15.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -212.324817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.324817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.324817 (E_RNA) where: Base-Base interactions energy: -145.559 where: short stacking energy: -60.645 Base-Backbone interact. energy: -0.408 local terms energy: -66.357561 where: bonds (distance) C4'-P energy: -14.179 bonds (distance) P-C4' energy: -13.674 flat angles C4'-P-C4' energy: -13.845 flat angles P-C4'-P energy: -7.997 tors. eta vs tors. theta energy: -16.663 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: 4 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -166.554121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.554121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.554121 (E_RNA) where: Base-Base interactions energy: -108.697 where: short stacking energy: -52.889 Base-Backbone interact. energy: -0.188 local terms energy: -57.668836 where: bonds (distance) C4'-P energy: -13.201 bonds (distance) P-C4' energy: -13.761 flat angles C4'-P-C4' energy: -10.051 flat angles P-C4'-P energy: -9.545 tors. eta vs tors. theta energy: -11.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -181.283178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.283178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.283178 (E_RNA) where: Base-Base interactions energy: -115.259 where: short stacking energy: -54.998 Base-Backbone interact. energy: 2.514 local terms energy: -68.537473 where: bonds (distance) C4'-P energy: -14.820 bonds (distance) P-C4' energy: -17.041 flat angles C4'-P-C4' energy: -12.434 flat angles P-C4'-P energy: -10.104 tors. eta vs tors. theta energy: -14.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -170.809233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.809233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.809233 (E_RNA) where: Base-Base interactions energy: -112.362 where: short stacking energy: -55.169 Base-Backbone interact. energy: -0.423 local terms energy: -58.024559 where: bonds (distance) C4'-P energy: -13.152 bonds (distance) P-C4' energy: -10.280 flat angles C4'-P-C4' energy: -13.980 flat angles P-C4'-P energy: -5.759 tors. eta vs tors. theta energy: -14.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -89.808490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.808490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.808490 (E_RNA) where: Base-Base interactions energy: -40.629 where: short stacking energy: -28.093 Base-Backbone interact. energy: -0.057 local terms energy: -49.121968 where: bonds (distance) C4'-P energy: -12.340 bonds (distance) P-C4' energy: -10.733 flat angles C4'-P-C4' energy: -12.601 flat angles P-C4'-P energy: -9.907 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: 9, replica: 8 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -122.811383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.811383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.811383 (E_RNA) where: Base-Base interactions energy: -77.778 where: short stacking energy: -42.096 Base-Backbone interact. energy: 1.836 local terms energy: -46.869113 where: bonds (distance) C4'-P energy: -12.472 bonds (distance) P-C4' energy: -7.191 flat angles C4'-P-C4' energy: -10.343 flat angles P-C4'-P energy: -9.964 tors. eta vs tors. theta energy: -6.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -79.449881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.449881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.449881 (E_RNA) where: Base-Base interactions energy: -24.697 where: short stacking energy: -24.697 Base-Backbone interact. energy: -0.025 local terms energy: -54.727236 where: bonds (distance) C4'-P energy: -10.346 bonds (distance) P-C4' energy: -17.091 flat angles C4'-P-C4' energy: -12.404 flat angles P-C4'-P energy: -9.163 tors. eta vs tors. theta energy: -5.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -225.793018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.793018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.793018 (E_RNA) where: Base-Base interactions energy: -155.270 where: short stacking energy: -65.952 Base-Backbone interact. energy: -0.613 local terms energy: -69.909354 where: bonds (distance) C4'-P energy: -15.300 bonds (distance) P-C4' energy: -16.869 flat angles C4'-P-C4' energy: -12.589 flat angles P-C4'-P energy: -10.121 tors. eta vs tors. theta energy: -15.030 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: 1 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -194.708368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.708368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.708368 (E_RNA) where: Base-Base interactions energy: -128.389 where: short stacking energy: -62.420 Base-Backbone interact. energy: -0.078 local terms energy: -66.241989 where: bonds (distance) C4'-P energy: -15.549 bonds (distance) P-C4' energy: -11.625 flat angles C4'-P-C4' energy: -11.447 flat angles P-C4'-P energy: -11.233 tors. eta vs tors. theta energy: -16.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -192.889044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.889044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.889044 (E_RNA) where: Base-Base interactions energy: -123.944 where: short stacking energy: -55.500 Base-Backbone interact. energy: -0.089 local terms energy: -68.856087 where: bonds (distance) C4'-P energy: -14.658 bonds (distance) P-C4' energy: -16.389 flat angles C4'-P-C4' energy: -16.357 flat angles P-C4'-P energy: -8.046 tors. eta vs tors. theta energy: -13.405 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: 4, replica: 4 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -180.092463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.092463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.092463 (E_RNA) where: Base-Base interactions energy: -120.711 where: short stacking energy: -54.794 Base-Backbone interact. energy: -0.935 local terms energy: -58.446159 where: bonds (distance) C4'-P energy: -12.601 bonds (distance) P-C4' energy: -13.794 flat angles C4'-P-C4' energy: -8.604 flat angles P-C4'-P energy: -11.332 tors. eta vs tors. theta energy: -12.115 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: 9 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -185.466056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.466056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.466056 (E_RNA) where: Base-Base interactions energy: -129.217 where: short stacking energy: -47.398 Base-Backbone interact. energy: 0.163 local terms energy: -56.411570 where: bonds (distance) C4'-P energy: -10.654 bonds (distance) P-C4' energy: -12.419 flat angles C4'-P-C4' energy: -14.622 flat angles P-C4'-P energy: -9.551 tors. eta vs tors. theta energy: -9.166 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: 3 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -181.109866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.109866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.109866 (E_RNA) where: Base-Base interactions energy: -118.184 where: short stacking energy: -51.043 Base-Backbone interact. energy: -0.048 local terms energy: -62.877412 where: bonds (distance) C4'-P energy: -14.742 bonds (distance) P-C4' energy: -10.861 flat angles C4'-P-C4' energy: -14.955 flat angles P-C4'-P energy: -7.004 tors. eta vs tors. theta energy: -15.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -187.932549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.932549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.932549 (E_RNA) where: Base-Base interactions energy: -123.902 where: short stacking energy: -54.506 Base-Backbone interact. energy: -0.092 local terms energy: -63.938131 where: bonds (distance) C4'-P energy: -8.826 bonds (distance) P-C4' energy: -12.832 flat angles C4'-P-C4' energy: -14.477 flat angles P-C4'-P energy: -8.366 tors. eta vs tors. theta energy: -19.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -95.012972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.012972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.012972 (E_RNA) where: Base-Base interactions energy: -37.836 where: short stacking energy: -34.264 Base-Backbone interact. energy: -0.417 local terms energy: -56.760709 where: bonds (distance) C4'-P energy: -9.681 bonds (distance) P-C4' energy: -16.339 flat angles C4'-P-C4' energy: -10.340 flat angles P-C4'-P energy: -11.680 tors. eta vs tors. theta energy: -8.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -80.461971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.461971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.461971 (E_RNA) where: Base-Base interactions energy: -31.091 where: short stacking energy: -30.536 Base-Backbone interact. energy: -0.235 local terms energy: -49.135919 where: bonds (distance) C4'-P energy: -15.181 bonds (distance) P-C4' energy: -13.484 flat angles C4'-P-C4' energy: -9.770 flat angles P-C4'-P energy: -10.163 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: 10, replica: 5 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -73.550134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.550134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.550134 (E_RNA) where: Base-Base interactions energy: -30.508 where: short stacking energy: -30.508 Base-Backbone interact. energy: -0.134 local terms energy: -42.908552 where: bonds (distance) C4'-P energy: -7.400 bonds (distance) P-C4' energy: -13.197 flat angles C4'-P-C4' energy: -10.097 flat angles P-C4'-P energy: -5.821 tors. eta vs tors. theta energy: -6.394 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: 6 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -225.265819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.265819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.265819 (E_RNA) where: Base-Base interactions energy: -155.657 where: short stacking energy: -62.302 Base-Backbone interact. energy: -0.095 local terms energy: -69.513473 where: bonds (distance) C4'-P energy: -11.309 bonds (distance) P-C4' energy: -15.921 flat angles C4'-P-C4' energy: -16.228 flat angles P-C4'-P energy: -8.197 tors. eta vs tors. theta energy: -17.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -211.786227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.786227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.786227 (E_RNA) where: Base-Base interactions energy: -141.209 where: short stacking energy: -62.287 Base-Backbone interact. energy: -0.106 local terms energy: -70.471339 where: bonds (distance) C4'-P energy: -10.389 bonds (distance) P-C4' energy: -15.812 flat angles C4'-P-C4' energy: -14.457 flat angles P-C4'-P energy: -13.363 tors. eta vs tors. theta energy: -16.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -196.395336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.395336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.395336 (E_RNA) where: Base-Base interactions energy: -134.633 where: short stacking energy: -62.144 Base-Backbone interact. energy: -0.236 local terms energy: -61.527196 where: bonds (distance) C4'-P energy: -14.427 bonds (distance) P-C4' energy: -12.591 flat angles C4'-P-C4' energy: -14.753 flat angles P-C4'-P energy: -4.482 tors. eta vs tors. theta energy: -15.274 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: 4 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -181.155972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.155972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.155972 (E_RNA) where: Base-Base interactions energy: -118.652 where: short stacking energy: -55.728 Base-Backbone interact. energy: -0.037 local terms energy: -62.466796 where: bonds (distance) C4'-P energy: -15.051 bonds (distance) P-C4' energy: -7.980 flat angles C4'-P-C4' energy: -14.726 flat angles P-C4'-P energy: -11.707 tors. eta vs tors. theta energy: -13.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -183.040378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.040378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.040378 (E_RNA) where: Base-Base interactions energy: -117.222 where: short stacking energy: -55.704 Base-Backbone interact. energy: -0.251 local terms energy: -65.566782 where: bonds (distance) C4'-P energy: -10.455 bonds (distance) P-C4' energy: -15.230 flat angles C4'-P-C4' energy: -17.554 flat angles P-C4'-P energy: -8.523 tors. eta vs tors. theta energy: -13.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -186.532941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.532941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.532941 (E_RNA) where: Base-Base interactions energy: -128.659 where: short stacking energy: -55.090 Base-Backbone interact. energy: -0.652 local terms energy: -57.221613 where: bonds (distance) C4'-P energy: -12.783 bonds (distance) P-C4' energy: -12.567 flat angles C4'-P-C4' energy: -10.237 flat angles P-C4'-P energy: -6.955 tors. eta vs tors. theta energy: -14.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -174.886049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.886049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.886049 (E_RNA) where: Base-Base interactions energy: -113.533 where: short stacking energy: -47.784 Base-Backbone interact. energy: -0.123 local terms energy: -61.229799 where: bonds (distance) C4'-P energy: -12.672 bonds (distance) P-C4' energy: -12.640 flat angles C4'-P-C4' energy: -16.082 flat angles P-C4'-P energy: -6.705 tors. eta vs tors. theta energy: -13.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -87.555770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.555770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.555770 (E_RNA) where: Base-Base interactions energy: -39.615 where: short stacking energy: -23.011 Base-Backbone interact. energy: -0.297 local terms energy: -47.643630 where: bonds (distance) C4'-P energy: -13.690 bonds (distance) P-C4' energy: -5.882 flat angles C4'-P-C4' energy: -13.022 flat angles P-C4'-P energy: -10.155 tors. eta vs tors. theta energy: -4.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -76.709864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.709864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.709864 (E_RNA) where: Base-Base interactions energy: -28.549 where: short stacking energy: -25.079 Base-Backbone interact. energy: -0.762 local terms energy: -47.399081 where: bonds (distance) C4'-P energy: -13.695 bonds (distance) P-C4' energy: -15.060 flat angles C4'-P-C4' energy: -11.771 flat angles P-C4'-P energy: -7.799 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: 10, replica: 5 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -80.793275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.793275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.793275 (E_RNA) where: Base-Base interactions energy: -35.947 where: short stacking energy: -29.223 Base-Backbone interact. energy: -0.247 local terms energy: -44.599076 where: bonds (distance) C4'-P energy: -14.075 bonds (distance) P-C4' energy: -15.787 flat angles C4'-P-C4' energy: -12.211 flat angles P-C4'-P energy: -0.789 tors. eta vs tors. theta energy: -1.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -219.283401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.283401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.283401 (E_RNA) where: Base-Base interactions energy: -157.388 where: short stacking energy: -62.960 Base-Backbone interact. energy: -0.244 local terms energy: -61.651365 where: bonds (distance) C4'-P energy: -13.288 bonds (distance) P-C4' energy: -12.027 flat angles C4'-P-C4' energy: -8.525 flat angles P-C4'-P energy: -10.024 tors. eta vs tors. theta energy: -17.788 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: 2, replica: 7 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -199.744071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.744071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.744071 (E_RNA) where: Base-Base interactions energy: -132.400 where: short stacking energy: -59.072 Base-Backbone interact. energy: -0.171 local terms energy: -67.172680 where: bonds (distance) C4'-P energy: -14.920 bonds (distance) P-C4' energy: -16.178 flat angles C4'-P-C4' energy: -15.362 flat angles P-C4'-P energy: -6.573 tors. eta vs tors. theta energy: -14.139 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: 1 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -207.135118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.135118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.135118 (E_RNA) where: Base-Base interactions energy: -140.876 where: short stacking energy: -59.990 Base-Backbone interact. energy: -0.102 local terms energy: -66.156589 where: bonds (distance) C4'-P energy: -13.304 bonds (distance) P-C4' energy: -13.439 flat angles C4'-P-C4' energy: -12.253 flat angles P-C4'-P energy: -11.963 tors. eta vs tors. theta energy: -15.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -183.901029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.901029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.901029 (E_RNA) where: Base-Base interactions energy: -113.169 where: short stacking energy: -52.888 Base-Backbone interact. energy: -0.585 local terms energy: -70.147806 where: bonds (distance) C4'-P energy: -14.993 bonds (distance) P-C4' energy: -15.007 flat angles C4'-P-C4' energy: -14.693 flat angles P-C4'-P energy: -11.544 tors. eta vs tors. theta energy: -13.911 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: 4 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -188.993985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.993985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.993985 (E_RNA) where: Base-Base interactions energy: -122.691 where: short stacking energy: -59.618 Base-Backbone interact. energy: -0.082 local terms energy: -66.221090 where: bonds (distance) C4'-P energy: -12.920 bonds (distance) P-C4' energy: -12.545 flat angles C4'-P-C4' energy: -14.447 flat angles P-C4'-P energy: -10.551 tors. eta vs tors. theta energy: -15.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -184.411905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.411905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.411905 (E_RNA) where: Base-Base interactions energy: -131.808 where: short stacking energy: -60.329 Base-Backbone interact. energy: -0.097 local terms energy: -52.507040 where: bonds (distance) C4'-P energy: -9.298 bonds (distance) P-C4' energy: -13.312 flat angles C4'-P-C4' energy: -16.604 flat angles P-C4'-P energy: -1.930 tors. eta vs tors. theta energy: -11.364 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: 9 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -173.529339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.529339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.529339 (E_RNA) where: Base-Base interactions energy: -117.196 where: short stacking energy: -55.316 Base-Backbone interact. energy: -0.020 local terms energy: -56.313320 where: bonds (distance) C4'-P energy: -13.189 bonds (distance) P-C4' energy: -7.966 flat angles C4'-P-C4' energy: -10.773 flat angles P-C4'-P energy: -10.486 tors. eta vs tors. theta energy: -13.900 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: 2 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -80.467370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.467370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.467370 (E_RNA) where: Base-Base interactions energy: -24.529 where: short stacking energy: -21.076 Base-Backbone interact. energy: -0.242 local terms energy: -55.696713 where: bonds (distance) C4'-P energy: -16.562 bonds (distance) P-C4' energy: -16.854 flat angles C4'-P-C4' energy: -13.992 flat angles P-C4'-P energy: -8.170 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: 411 Temperature: 1.300000 Total energy: -87.296516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.296516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.296516 (E_RNA) where: Base-Base interactions energy: -38.782 where: short stacking energy: -24.784 Base-Backbone interact. energy: -0.275 local terms energy: -48.239440 where: bonds (distance) C4'-P energy: -9.318 bonds (distance) P-C4' energy: -17.495 flat angles C4'-P-C4' energy: -11.219 flat angles P-C4'-P energy: -6.656 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: 10, replica: 5 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -76.806344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.806344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.806344 (E_RNA) where: Base-Base interactions energy: -30.801 where: short stacking energy: -30.801 Base-Backbone interact. energy: -0.067 local terms energy: -45.938615 where: bonds (distance) C4'-P energy: -10.414 bonds (distance) P-C4' energy: -11.750 flat angles C4'-P-C4' energy: -10.297 flat angles P-C4'-P energy: -8.658 tors. eta vs tors. theta energy: -4.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -219.258270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.258270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.258270 (E_RNA) where: Base-Base interactions energy: -151.797 where: short stacking energy: -64.259 Base-Backbone interact. energy: -0.653 local terms energy: -66.807975 where: bonds (distance) C4'-P energy: -14.596 bonds (distance) P-C4' energy: -13.293 flat angles C4'-P-C4' energy: -15.394 flat angles P-C4'-P energy: -10.509 tors. eta vs tors. theta energy: -13.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -197.619147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.619147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.619147 (E_RNA) where: Base-Base interactions energy: -141.485 where: short stacking energy: -55.190 Base-Backbone interact. energy: -0.098 local terms energy: -56.036196 where: bonds (distance) C4'-P energy: -14.546 bonds (distance) P-C4' energy: -14.384 flat angles C4'-P-C4' energy: -15.660 flat angles P-C4'-P energy: -4.251 tors. eta vs tors. theta energy: -7.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -220.860774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.860774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.860774 (E_RNA) where: Base-Base interactions energy: -156.253 where: short stacking energy: -64.446 Base-Backbone interact. energy: -0.073 local terms energy: -64.534198 where: bonds (distance) C4'-P energy: -13.756 bonds (distance) P-C4' energy: -12.605 flat angles C4'-P-C4' energy: -15.977 flat angles P-C4'-P energy: -3.923 tors. eta vs tors. theta energy: -18.273 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: 3 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -194.566949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.566949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.566949 (E_RNA) where: Base-Base interactions energy: -122.985 where: short stacking energy: -64.652 Base-Backbone interact. energy: -0.099 local terms energy: -71.483405 where: bonds (distance) C4'-P energy: -10.677 bonds (distance) P-C4' energy: -17.488 flat angles C4'-P-C4' energy: -16.225 flat angles P-C4'-P energy: -8.620 tors. eta vs tors. theta energy: -18.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -202.087547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.087547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.087547 (E_RNA) where: Base-Base interactions energy: -140.504 where: short stacking energy: -62.235 Base-Backbone interact. energy: -0.005 local terms energy: -61.577867 where: bonds (distance) C4'-P energy: -9.260 bonds (distance) P-C4' energy: -9.174 flat angles C4'-P-C4' energy: -16.258 flat angles P-C4'-P energy: -7.250 tors. eta vs tors. theta energy: -19.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -172.393474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.393474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.393474 (E_RNA) where: Base-Base interactions energy: -102.513 where: short stacking energy: -48.394 Base-Backbone interact. energy: -0.193 local terms energy: -69.688305 where: bonds (distance) C4'-P energy: -15.014 bonds (distance) P-C4' energy: -14.424 flat angles C4'-P-C4' energy: -17.712 flat angles P-C4'-P energy: -10.518 tors. eta vs tors. theta energy: -12.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -176.399760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.399760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.399760 (E_RNA) where: Base-Base interactions energy: -117.746 where: short stacking energy: -54.055 Base-Backbone interact. energy: -0.282 local terms energy: -58.371745 where: bonds (distance) C4'-P energy: -12.246 bonds (distance) P-C4' energy: -12.721 flat angles C4'-P-C4' energy: -10.821 flat angles P-C4'-P energy: -8.301 tors. eta vs tors. theta energy: -14.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -84.150020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.150020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.150020 (E_RNA) where: Base-Base interactions energy: -38.742 where: short stacking energy: -32.068 Base-Backbone interact. energy: 0.756 local terms energy: -46.164009 where: bonds (distance) C4'-P energy: -14.903 bonds (distance) P-C4' energy: -13.580 flat angles C4'-P-C4' energy: -10.183 flat angles P-C4'-P energy: -4.262 tors. eta vs tors. theta energy: -3.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -99.653035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.653035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.653035 (E_RNA) where: Base-Base interactions energy: -62.105 where: short stacking energy: -26.003 Base-Backbone interact. energy: 0.606 local terms energy: -38.154681 where: bonds (distance) C4'-P energy: -10.746 bonds (distance) P-C4' energy: -9.193 flat angles C4'-P-C4' energy: -15.152 flat angles P-C4'-P energy: -3.124 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: 10, replica: 5 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -73.617438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.617438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.617438 (E_RNA) where: Base-Base interactions energy: -33.061 where: short stacking energy: -31.397 Base-Backbone interact. energy: -0.090 local terms energy: -40.466949 where: bonds (distance) C4'-P energy: -9.405 bonds (distance) P-C4' energy: -10.531 flat angles C4'-P-C4' energy: -10.972 flat angles P-C4'-P energy: -6.251 tors. eta vs tors. theta energy: -3.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -222.013947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.013947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.013947 (E_RNA) where: Base-Base interactions energy: -146.046 where: short stacking energy: -61.135 Base-Backbone interact. energy: -0.616 local terms energy: -75.352232 where: bonds (distance) C4'-P energy: -16.998 bonds (distance) P-C4' energy: -12.964 flat angles C4'-P-C4' energy: -17.047 flat angles P-C4'-P energy: -11.014 tors. eta vs tors. theta energy: -17.329 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: 1 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -209.144317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.144317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.144317 (E_RNA) where: Base-Base interactions energy: -145.664 where: short stacking energy: -50.046 Base-Backbone interact. energy: -0.166 local terms energy: -63.314008 where: bonds (distance) C4'-P energy: -14.940 bonds (distance) P-C4' energy: -14.020 flat angles C4'-P-C4' energy: -15.203 flat angles P-C4'-P energy: -7.223 tors. eta vs tors. theta energy: -11.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -184.841714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.841714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.841714 (E_RNA) where: Base-Base interactions energy: -124.894 where: short stacking energy: -54.075 Base-Backbone interact. energy: -0.096 local terms energy: -59.851991 where: bonds (distance) C4'-P energy: -12.270 bonds (distance) P-C4' energy: -15.097 flat angles C4'-P-C4' energy: -13.912 flat angles P-C4'-P energy: -8.841 tors. eta vs tors. theta energy: -9.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -179.282488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.282488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.282488 (E_RNA) where: Base-Base interactions energy: -128.151 where: short stacking energy: -44.594 Base-Backbone interact. energy: -0.235 local terms energy: -50.896293 where: bonds (distance) C4'-P energy: -13.207 bonds (distance) P-C4' energy: -15.134 flat angles C4'-P-C4' energy: -8.691 flat angles P-C4'-P energy: -9.565 tors. eta vs tors. theta energy: -4.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -197.885146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.885146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.885146 (E_RNA) where: Base-Base interactions energy: -138.454 where: short stacking energy: -46.888 Base-Backbone interact. energy: 1.432 local terms energy: -60.863670 where: bonds (distance) C4'-P energy: -11.971 bonds (distance) P-C4' energy: -16.604 flat angles C4'-P-C4' energy: -15.633 flat angles P-C4'-P energy: -6.826 tors. eta vs tors. theta energy: -9.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -178.736564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.736564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.736564 (E_RNA) where: Base-Base interactions energy: -116.488 where: short stacking energy: -49.887 Base-Backbone interact. energy: -0.150 local terms energy: -62.098669 where: bonds (distance) C4'-P energy: -13.835 bonds (distance) P-C4' energy: -14.264 flat angles C4'-P-C4' energy: -14.785 flat angles P-C4'-P energy: -9.850 tors. eta vs tors. theta energy: -9.365 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: 9 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -183.410400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.410400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.410400 (E_RNA) where: Base-Base interactions energy: -111.102 where: short stacking energy: -55.160 Base-Backbone interact. energy: -0.724 local terms energy: -71.584434 where: bonds (distance) C4'-P energy: -14.616 bonds (distance) P-C4' energy: -14.157 flat angles C4'-P-C4' energy: -18.070 flat angles P-C4'-P energy: -9.180 tors. eta vs tors. theta energy: -15.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -107.540909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.540909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.540909 (E_RNA) where: Base-Base interactions energy: -62.848 where: short stacking energy: -36.715 Base-Backbone interact. energy: 0.622 local terms energy: -45.314643 where: bonds (distance) C4'-P energy: -16.650 bonds (distance) P-C4' energy: -8.291 flat angles C4'-P-C4' energy: -3.229 flat angles P-C4'-P energy: -11.075 tors. eta vs tors. theta energy: -6.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -68.886856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.886856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.886856 (E_RNA) where: Base-Base interactions energy: -19.365 where: short stacking energy: -19.365 Base-Backbone interact. energy: 0.154 local terms energy: -49.675771 where: bonds (distance) C4'-P energy: -15.805 bonds (distance) P-C4' energy: -14.782 flat angles C4'-P-C4' energy: -11.919 flat angles P-C4'-P energy: -6.955 tors. eta vs tors. theta energy: -0.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -79.774232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.774232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.774232 (E_RNA) where: Base-Base interactions energy: -34.936 where: short stacking energy: -29.207 Base-Backbone interact. energy: -0.085 local terms energy: -44.753372 where: bonds (distance) C4'-P energy: -13.537 bonds (distance) P-C4' energy: -14.311 flat angles C4'-P-C4' energy: -12.554 flat angles P-C4'-P energy: 0.214 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: 1, replica: 6 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -220.559642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.559642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.559642 (E_RNA) where: Base-Base interactions energy: -153.146 where: short stacking energy: -62.535 Base-Backbone interact. energy: -0.231 local terms energy: -67.183179 where: bonds (distance) C4'-P energy: -15.589 bonds (distance) P-C4' energy: -16.254 flat angles C4'-P-C4' energy: -9.865 flat angles P-C4'-P energy: -9.478 tors. eta vs tors. theta energy: -15.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -193.822752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.822752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.822752 (E_RNA) where: Base-Base interactions energy: -135.783 where: short stacking energy: -50.292 Base-Backbone interact. energy: -0.172 local terms energy: -57.868357 where: bonds (distance) C4'-P energy: -12.319 bonds (distance) P-C4' energy: -14.480 flat angles C4'-P-C4' energy: -13.572 flat angles P-C4'-P energy: -9.023 tors. eta vs tors. theta energy: -8.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -200.241276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.241276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.241276 (E_RNA) where: Base-Base interactions energy: -133.272 where: short stacking energy: -54.889 Base-Backbone interact. energy: -0.084 local terms energy: -66.885712 where: bonds (distance) C4'-P energy: -16.223 bonds (distance) P-C4' energy: -15.523 flat angles C4'-P-C4' energy: -14.061 flat angles P-C4'-P energy: -10.170 tors. eta vs tors. theta energy: -10.909 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: 7 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -190.967461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.967461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.967461 (E_RNA) where: Base-Base interactions energy: -136.024 where: short stacking energy: -53.418 Base-Backbone interact. energy: 0.903 local terms energy: -55.845760 where: bonds (distance) C4'-P energy: -11.996 bonds (distance) P-C4' energy: -15.720 flat angles C4'-P-C4' energy: -9.482 flat angles P-C4'-P energy: -10.190 tors. eta vs tors. theta energy: -8.458 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: 414 Temperature: 1.100000 Total energy: -185.694476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.694476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.694476 (E_RNA) where: Base-Base interactions energy: -114.547 where: short stacking energy: -53.519 Base-Backbone interact. energy: -0.883 local terms energy: -70.264131 where: bonds (distance) C4'-P energy: -10.708 bonds (distance) P-C4' energy: -16.330 flat angles C4'-P-C4' energy: -15.109 flat angles P-C4'-P energy: -10.731 tors. eta vs tors. theta energy: -17.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -180.135101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.135101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.135101 (E_RNA) where: Base-Base interactions energy: -119.906 where: short stacking energy: -42.780 Base-Backbone interact. energy: -1.306 local terms energy: -58.922866 where: bonds (distance) C4'-P energy: -8.556 bonds (distance) P-C4' energy: -15.764 flat angles C4'-P-C4' energy: -10.263 flat angles P-C4'-P energy: -10.792 tors. eta vs tors. theta energy: -13.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -124.088223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.088223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.088223 (E_RNA) where: Base-Base interactions energy: -63.466 where: short stacking energy: -41.107 Base-Backbone interact. energy: -0.177 local terms energy: -60.445736 where: bonds (distance) C4'-P energy: -11.894 bonds (distance) P-C4' energy: -13.567 flat angles C4'-P-C4' energy: -12.708 flat angles P-C4'-P energy: -12.852 tors. eta vs tors. theta energy: -9.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -158.798065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.798065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.798065 (E_RNA) where: Base-Base interactions energy: -103.642 where: short stacking energy: -45.458 Base-Backbone interact. energy: -0.086 local terms energy: -55.070065 where: bonds (distance) C4'-P energy: -12.933 bonds (distance) P-C4' energy: -8.821 flat angles C4'-P-C4' energy: -15.446 flat angles P-C4'-P energy: -5.815 tors. eta vs tors. theta energy: -12.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -77.554297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.554297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.554297 (E_RNA) where: Base-Base interactions energy: -33.407 where: short stacking energy: -31.590 Base-Backbone interact. energy: -0.017 local terms energy: -44.130546 where: bonds (distance) C4'-P energy: -9.691 bonds (distance) P-C4' energy: -11.161 flat angles C4'-P-C4' energy: -13.007 flat angles P-C4'-P energy: -7.720 tors. eta vs tors. theta energy: -2.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -68.913160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.913160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.913160 (E_RNA) where: Base-Base interactions energy: -22.832 where: short stacking energy: -19.419 Base-Backbone interact. energy: -0.204 local terms energy: -45.876546 where: bonds (distance) C4'-P energy: -12.531 bonds (distance) P-C4' energy: -16.259 flat angles C4'-P-C4' energy: -12.334 flat angles P-C4'-P energy: -6.999 tors. eta vs tors. theta energy: 2.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -213.732335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.732335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.732335 (E_RNA) where: Base-Base interactions energy: -150.941 where: short stacking energy: -59.626 Base-Backbone interact. energy: -0.098 local terms energy: -62.693559 where: bonds (distance) C4'-P energy: -14.050 bonds (distance) P-C4' energy: -13.113 flat angles C4'-P-C4' energy: -14.985 flat angles P-C4'-P energy: -6.800 tors. eta vs tors. theta energy: -13.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -203.958284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.958284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.958284 (E_RNA) where: Base-Base interactions energy: -140.505 where: short stacking energy: -61.024 Base-Backbone interact. energy: -0.109 local terms energy: -63.344842 where: bonds (distance) C4'-P energy: -14.004 bonds (distance) P-C4' energy: -15.554 flat angles C4'-P-C4' energy: -11.850 flat angles P-C4'-P energy: -9.964 tors. eta vs tors. theta energy: -11.972 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: 1 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -194.648544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.648544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.648544 (E_RNA) where: Base-Base interactions energy: -127.008 where: short stacking energy: -50.786 Base-Backbone interact. energy: -0.746 local terms energy: -66.895174 where: bonds (distance) C4'-P energy: -13.811 bonds (distance) P-C4' energy: -15.520 flat angles C4'-P-C4' energy: -16.031 flat angles P-C4'-P energy: -6.053 tors. eta vs tors. theta energy: -15.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -180.032485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.032485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.032485 (E_RNA) where: Base-Base interactions energy: -110.999 where: short stacking energy: -48.272 Base-Backbone interact. energy: -0.705 local terms energy: -68.328743 where: bonds (distance) C4'-P energy: -13.566 bonds (distance) P-C4' energy: -15.652 flat angles C4'-P-C4' energy: -16.105 flat angles P-C4'-P energy: -7.629 tors. eta vs tors. theta energy: -15.377 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: 4 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -168.104567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.104567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.104567 (E_RNA) where: Base-Base interactions energy: -114.254 where: short stacking energy: -45.341 Base-Backbone interact. energy: 1.316 local terms energy: -55.166732 where: bonds (distance) C4'-P energy: -12.681 bonds (distance) P-C4' energy: -15.233 flat angles C4'-P-C4' energy: -12.853 flat angles P-C4'-P energy: -6.072 tors. eta vs tors. theta energy: -8.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -175.573172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.573172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.573172 (E_RNA) where: Base-Base interactions energy: -103.023 where: short stacking energy: -43.923 Base-Backbone interact. energy: -0.265 local terms energy: -72.285356 where: bonds (distance) C4'-P energy: -15.752 bonds (distance) P-C4' energy: -15.494 flat angles C4'-P-C4' energy: -16.226 flat angles P-C4'-P energy: -10.210 tors. eta vs tors. theta energy: -14.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -149.346417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.346417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.346417 (E_RNA) where: Base-Base interactions energy: -90.713 where: short stacking energy: -39.292 Base-Backbone interact. energy: -0.183 local terms energy: -58.450534 where: bonds (distance) C4'-P energy: -16.837 bonds (distance) P-C4' energy: -12.000 flat angles C4'-P-C4' energy: -14.074 flat angles P-C4'-P energy: -9.725 tors. eta vs tors. theta energy: -5.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -176.074550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.074550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.074550 (E_RNA) where: Base-Base interactions energy: -113.429 where: short stacking energy: -56.864 Base-Backbone interact. energy: -0.879 local terms energy: -61.767104 where: bonds (distance) C4'-P energy: -12.266 bonds (distance) P-C4' energy: -15.144 flat angles C4'-P-C4' energy: -15.121 flat angles P-C4'-P energy: -6.475 tors. eta vs tors. theta energy: -12.761 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: 9, replica: 5 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -84.083929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.083929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.083929 (E_RNA) where: Base-Base interactions energy: -36.999 where: short stacking energy: -26.894 Base-Backbone interact. energy: -0.051 local terms energy: -47.034031 where: bonds (distance) C4'-P energy: -14.295 bonds (distance) P-C4' energy: -16.476 flat angles C4'-P-C4' energy: -7.477 flat angles P-C4'-P energy: -5.679 tors. eta vs tors. theta energy: -3.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -69.288123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.288123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.288123 (E_RNA) where: Base-Base interactions energy: -35.618 where: short stacking energy: -28.857 Base-Backbone interact. energy: -0.354 local terms energy: -33.315466 where: bonds (distance) C4'-P energy: -10.034 bonds (distance) P-C4' energy: -14.097 flat angles C4'-P-C4' energy: -9.233 flat angles P-C4'-P energy: -1.807 tors. eta vs tors. theta energy: 1.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -208.227632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.227632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.227632 (E_RNA) where: Base-Base interactions energy: -137.860 where: short stacking energy: -54.055 Base-Backbone interact. energy: -0.285 local terms energy: -70.082040 where: bonds (distance) C4'-P energy: -13.053 bonds (distance) P-C4' energy: -16.505 flat angles C4'-P-C4' energy: -13.223 flat angles P-C4'-P energy: -13.810 tors. eta vs tors. theta energy: -13.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -207.442871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.442871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.442871 (E_RNA) where: Base-Base interactions energy: -143.178 where: short stacking energy: -56.882 Base-Backbone interact. energy: -0.310 local terms energy: -63.954741 where: bonds (distance) C4'-P energy: -11.380 bonds (distance) P-C4' energy: -15.085 flat angles C4'-P-C4' energy: -14.043 flat angles P-C4'-P energy: -7.232 tors. eta vs tors. theta energy: -16.215 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: 7 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -175.561324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.561324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.561324 (E_RNA) where: Base-Base interactions energy: -114.795 where: short stacking energy: -58.851 Base-Backbone interact. energy: 1.458 local terms energy: -62.224707 where: bonds (distance) C4'-P energy: -13.086 bonds (distance) P-C4' energy: -12.852 flat angles C4'-P-C4' energy: -14.555 flat angles P-C4'-P energy: -9.312 tors. eta vs tors. theta energy: -12.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -175.813925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.813925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.813925 (E_RNA) where: Base-Base interactions energy: -117.665 where: short stacking energy: -50.564 Base-Backbone interact. energy: -0.082 local terms energy: -58.066453 where: bonds (distance) C4'-P energy: -12.645 bonds (distance) P-C4' energy: -12.887 flat angles C4'-P-C4' energy: -14.633 flat angles P-C4'-P energy: -10.765 tors. eta vs tors. theta energy: -7.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -179.052195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.052195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.052195 (E_RNA) where: Base-Base interactions energy: -125.308 where: short stacking energy: -59.367 Base-Backbone interact. energy: 0.039 local terms energy: -53.783155 where: bonds (distance) C4'-P energy: -10.891 bonds (distance) P-C4' energy: -9.689 flat angles C4'-P-C4' energy: -14.616 flat angles P-C4'-P energy: -3.918 tors. eta vs tors. theta energy: -14.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -168.011987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.011987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.011987 (E_RNA) where: Base-Base interactions energy: -108.170 where: short stacking energy: -48.603 Base-Backbone interact. energy: -0.214 local terms energy: -59.627948 where: bonds (distance) C4'-P energy: -13.114 bonds (distance) P-C4' energy: -13.690 flat angles C4'-P-C4' energy: -14.866 flat angles P-C4'-P energy: -8.362 tors. eta vs tors. theta energy: -9.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -173.602043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.602043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.602043 (E_RNA) where: Base-Base interactions energy: -110.001 where: short stacking energy: -54.905 Base-Backbone interact. energy: -0.215 local terms energy: -63.385792 where: bonds (distance) C4'-P energy: -11.803 bonds (distance) P-C4' energy: -13.847 flat angles C4'-P-C4' energy: -13.999 flat angles P-C4'-P energy: -10.589 tors. eta vs tors. theta energy: -13.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -153.418937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.418937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.418937 (E_RNA) where: Base-Base interactions energy: -106.495 where: short stacking energy: -40.907 Base-Backbone interact. energy: -0.827 local terms energy: -46.096365 where: bonds (distance) C4'-P energy: -9.496 bonds (distance) P-C4' energy: -12.404 flat angles C4'-P-C4' energy: -8.598 flat angles P-C4'-P energy: -7.824 tors. eta vs tors. theta energy: -7.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -88.480797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.480797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.480797 (E_RNA) where: Base-Base interactions energy: -55.012 where: short stacking energy: -27.438 Base-Backbone interact. energy: -0.316 local terms energy: -33.153648 where: bonds (distance) C4'-P energy: -12.608 bonds (distance) P-C4' energy: -14.167 flat angles C4'-P-C4' energy: -5.557 flat angles P-C4'-P energy: -2.322 tors. eta vs tors. theta energy: 1.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -82.007926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.007926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.007926 (E_RNA) where: Base-Base interactions energy: -35.322 where: short stacking energy: -32.474 Base-Backbone interact. energy: 1.811 local terms energy: -48.496953 where: bonds (distance) C4'-P energy: -9.265 bonds (distance) P-C4' energy: -16.597 flat angles C4'-P-C4' energy: -8.344 flat angles P-C4'-P energy: -4.851 tors. eta vs tors. theta energy: -9.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -213.390676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.390676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.390676 (E_RNA) where: Base-Base interactions energy: -145.400 where: short stacking energy: -55.150 Base-Backbone interact. energy: -0.510 local terms energy: -67.481160 where: bonds (distance) C4'-P energy: -12.776 bonds (distance) P-C4' energy: -16.590 flat angles C4'-P-C4' energy: -11.186 flat angles P-C4'-P energy: -12.751 tors. eta vs tors. theta energy: -14.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -212.720173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.720173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.720173 (E_RNA) where: Base-Base interactions energy: -149.998 where: short stacking energy: -67.608 Base-Backbone interact. energy: -0.328 local terms energy: -62.394277 where: bonds (distance) C4'-P energy: -13.190 bonds (distance) P-C4' energy: -10.394 flat angles C4'-P-C4' energy: -10.721 flat angles P-C4'-P energy: -11.778 tors. eta vs tors. theta energy: -16.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -179.341158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.341158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.341158 (E_RNA) where: Base-Base interactions energy: -112.443 where: short stacking energy: -45.541 Base-Backbone interact. energy: -0.196 local terms energy: -66.702017 where: bonds (distance) C4'-P energy: -14.935 bonds (distance) P-C4' energy: -12.889 flat angles C4'-P-C4' energy: -15.567 flat angles P-C4'-P energy: -12.443 tors. eta vs tors. theta energy: -10.868 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: 10 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -185.748660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.748660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.748660 (E_RNA) where: Base-Base interactions energy: -128.036 where: short stacking energy: -57.264 Base-Backbone interact. energy: -0.091 local terms energy: -57.621792 where: bonds (distance) C4'-P energy: -14.030 bonds (distance) P-C4' energy: -15.072 flat angles C4'-P-C4' energy: -10.492 flat angles P-C4'-P energy: -3.795 tors. eta vs tors. theta energy: -14.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -187.377651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.377651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.377651 (E_RNA) where: Base-Base interactions energy: -130.097 where: short stacking energy: -55.772 Base-Backbone interact. energy: -0.342 local terms energy: -56.938520 where: bonds (distance) C4'-P energy: -15.175 bonds (distance) P-C4' energy: -15.992 flat angles C4'-P-C4' energy: -12.012 flat angles P-C4'-P energy: -6.810 tors. eta vs tors. theta energy: -6.949 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: 6, replica: 4 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -169.248296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.248296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.248296 (E_RNA) where: Base-Base interactions energy: -111.509 where: short stacking energy: -45.471 Base-Backbone interact. energy: -0.186 local terms energy: -57.553778 where: bonds (distance) C4'-P energy: -10.436 bonds (distance) P-C4' energy: -12.885 flat angles C4'-P-C4' energy: -13.185 flat angles P-C4'-P energy: -11.491 tors. eta vs tors. theta energy: -9.558 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: 9 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -166.949504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.949504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.949504 (E_RNA) where: Base-Base interactions energy: -109.193 where: short stacking energy: -50.747 Base-Backbone interact. energy: -0.066 local terms energy: -57.690817 where: bonds (distance) C4'-P energy: -12.529 bonds (distance) P-C4' energy: -9.655 flat angles C4'-P-C4' energy: -14.841 flat angles P-C4'-P energy: -9.000 tors. eta vs tors. theta energy: -11.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -136.662942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.662942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.662942 (E_RNA) where: Base-Base interactions energy: -79.642 where: short stacking energy: -27.901 Base-Backbone interact. energy: -0.260 local terms energy: -56.761112 where: bonds (distance) C4'-P energy: -13.134 bonds (distance) P-C4' energy: -10.980 flat angles C4'-P-C4' energy: -12.906 flat angles P-C4'-P energy: -11.228 tors. eta vs tors. theta energy: -8.513 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: 9, replica: 2 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -81.447773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.447773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.447773 (E_RNA) where: Base-Base interactions energy: -26.920 where: short stacking energy: -24.108 Base-Backbone interact. energy: -0.047 local terms energy: -54.480865 where: bonds (distance) C4'-P energy: -15.888 bonds (distance) P-C4' energy: -14.438 flat angles C4'-P-C4' energy: -13.711 flat angles P-C4'-P energy: -8.668 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: 10, replica: 5 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -85.906557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.906557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.906557 (E_RNA) where: Base-Base interactions energy: -31.622 where: short stacking energy: -32.222 Base-Backbone interact. energy: -0.006 local terms energy: -54.278966 where: bonds (distance) C4'-P energy: -14.022 bonds (distance) P-C4' energy: -12.690 flat angles C4'-P-C4' energy: -11.479 flat angles P-C4'-P energy: -8.886 tors. eta vs tors. theta energy: -7.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -230.498501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -230.498501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -230.498501 (E_RNA) where: Base-Base interactions energy: -157.604 where: short stacking energy: -64.150 Base-Backbone interact. energy: -0.085 local terms energy: -72.809724 where: bonds (distance) C4'-P energy: -16.675 bonds (distance) P-C4' energy: -14.542 flat angles C4'-P-C4' energy: -13.929 flat angles P-C4'-P energy: -8.395 tors. eta vs tors. theta energy: -19.269 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: 3 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -208.685680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.685680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.685680 (E_RNA) where: Base-Base interactions energy: -143.697 where: short stacking energy: -52.865 Base-Backbone interact. energy: -0.609 local terms energy: -64.378836 where: bonds (distance) C4'-P energy: -13.363 bonds (distance) P-C4' energy: -15.324 flat angles C4'-P-C4' energy: -12.206 flat angles P-C4'-P energy: -9.516 tors. eta vs tors. theta energy: -13.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -193.007753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.007753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.007753 (E_RNA) where: Base-Base interactions energy: -136.100 where: short stacking energy: -51.505 Base-Backbone interact. energy: -0.105 local terms energy: -56.803707 where: bonds (distance) C4'-P energy: -16.223 bonds (distance) P-C4' energy: -9.079 flat angles C4'-P-C4' energy: -13.080 flat angles P-C4'-P energy: -11.444 tors. eta vs tors. theta energy: -6.978 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: 7 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -205.996448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.996448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.996448 (E_RNA) where: Base-Base interactions energy: -145.149 where: short stacking energy: -60.277 Base-Backbone interact. energy: -0.043 local terms energy: -60.804113 where: bonds (distance) C4'-P energy: -16.956 bonds (distance) P-C4' energy: -8.344 flat angles C4'-P-C4' energy: -16.579 flat angles P-C4'-P energy: -5.346 tors. eta vs tors. theta energy: -13.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -189.497593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.497593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.497593 (E_RNA) where: Base-Base interactions energy: -127.652 where: short stacking energy: -52.580 Base-Backbone interact. energy: -0.884 local terms energy: -60.962294 where: bonds (distance) C4'-P energy: -11.082 bonds (distance) P-C4' energy: -10.923 flat angles C4'-P-C4' energy: -14.735 flat angles P-C4'-P energy: -6.192 tors. eta vs tors. theta energy: -18.030 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: 1 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -173.260598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.260598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.260598 (E_RNA) where: Base-Base interactions energy: -109.054 where: short stacking energy: -52.296 Base-Backbone interact. energy: 0.237 local terms energy: -64.443394 where: bonds (distance) C4'-P energy: -13.590 bonds (distance) P-C4' energy: -16.414 flat angles C4'-P-C4' energy: -12.507 flat angles P-C4'-P energy: -9.711 tors. eta vs tors. theta energy: -12.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -143.066103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.066103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.066103 (E_RNA) where: Base-Base interactions energy: -100.243 where: short stacking energy: -39.674 Base-Backbone interact. energy: -0.710 local terms energy: -42.113237 where: bonds (distance) C4'-P energy: -8.863 bonds (distance) P-C4' energy: -10.919 flat angles C4'-P-C4' energy: -10.602 flat angles P-C4'-P energy: -6.470 tors. eta vs tors. theta energy: -5.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -172.624320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.624320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.624320 (E_RNA) where: Base-Base interactions energy: -113.256 where: short stacking energy: -51.148 Base-Backbone interact. energy: -0.018 local terms energy: -59.350285 where: bonds (distance) C4'-P energy: -15.876 bonds (distance) P-C4' energy: -11.528 flat angles C4'-P-C4' energy: -12.728 flat angles P-C4'-P energy: -8.258 tors. eta vs tors. theta energy: -10.961 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: 5 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -80.862885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.862885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.862885 (E_RNA) where: Base-Base interactions energy: -34.677 where: short stacking energy: -32.259 Base-Backbone interact. energy: -0.198 local terms energy: -45.988574 where: bonds (distance) C4'-P energy: -11.971 bonds (distance) P-C4' energy: -11.788 flat angles C4'-P-C4' energy: -12.706 flat angles P-C4'-P energy: -4.506 tors. eta vs tors. theta energy: -5.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -75.418100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.418100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.418100 (E_RNA) where: Base-Base interactions energy: -23.903 where: short stacking energy: -23.670 Base-Backbone interact. energy: -0.043 local terms energy: -51.471666 where: bonds (distance) C4'-P energy: -15.958 bonds (distance) P-C4' energy: -16.442 flat angles C4'-P-C4' energy: -11.446 flat angles P-C4'-P energy: -5.234 tors. eta vs tors. theta energy: -2.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -218.482503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.482503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.482503 (E_RNA) where: Base-Base interactions energy: -149.858 where: short stacking energy: -64.784 Base-Backbone interact. energy: -0.623 local terms energy: -68.001602 where: bonds (distance) C4'-P energy: -14.614 bonds (distance) P-C4' energy: -15.230 flat angles C4'-P-C4' energy: -10.490 flat angles P-C4'-P energy: -10.274 tors. eta vs tors. theta energy: -17.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -207.045435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.045435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.045435 (E_RNA) where: Base-Base interactions energy: -147.196 where: short stacking energy: -47.158 Base-Backbone interact. energy: -1.486 local terms energy: -58.363271 where: bonds (distance) C4'-P energy: -13.669 bonds (distance) P-C4' energy: -9.019 flat angles C4'-P-C4' energy: -15.549 flat angles P-C4'-P energy: -12.611 tors. eta vs tors. theta energy: -7.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -195.544687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.544687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.544687 (E_RNA) where: Base-Base interactions energy: -124.827 where: short stacking energy: -45.322 Base-Backbone interact. energy: -0.116 local terms energy: -70.602162 where: bonds (distance) C4'-P energy: -15.512 bonds (distance) P-C4' energy: -17.446 flat angles C4'-P-C4' energy: -17.199 flat angles P-C4'-P energy: -8.314 tors. eta vs tors. theta energy: -12.132 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: 4, replica: 4 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -193.926214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.926214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.926214 (E_RNA) where: Base-Base interactions energy: -131.620 where: short stacking energy: -55.914 Base-Backbone interact. energy: 0.021 local terms energy: -62.327584 where: bonds (distance) C4'-P energy: -13.844 bonds (distance) P-C4' energy: -9.673 flat angles C4'-P-C4' energy: -15.501 flat angles P-C4'-P energy: -7.864 tors. eta vs tors. theta energy: -15.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -194.006953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.006953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.006953 (E_RNA) where: Base-Base interactions energy: -142.156 where: short stacking energy: -61.679 Base-Backbone interact. energy: -0.063 local terms energy: -51.787846 where: bonds (distance) C4'-P energy: -13.181 bonds (distance) P-C4' energy: -14.246 flat angles C4'-P-C4' energy: -8.535 flat angles P-C4'-P energy: -1.574 tors. eta vs tors. theta energy: -14.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -159.957181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.957181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.957181 (E_RNA) where: Base-Base interactions energy: -98.510 where: short stacking energy: -39.561 Base-Backbone interact. energy: -0.205 local terms energy: -61.242263 where: bonds (distance) C4'-P energy: -15.357 bonds (distance) P-C4' energy: -16.149 flat angles C4'-P-C4' energy: -13.418 flat angles P-C4'-P energy: -9.754 tors. eta vs tors. theta energy: -6.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -178.409559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.409559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.409559 (E_RNA) where: Base-Base interactions energy: -123.781 where: short stacking energy: -58.428 Base-Backbone interact. energy: -0.776 local terms energy: -53.852130 where: bonds (distance) C4'-P energy: -14.448 bonds (distance) P-C4' energy: -10.555 flat angles C4'-P-C4' energy: -9.779 flat angles P-C4'-P energy: -5.036 tors. eta vs tors. theta energy: -14.035 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: 5 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -85.066000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.066000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.066000 (E_RNA) where: Base-Base interactions energy: -40.860 where: short stacking energy: -37.421 Base-Backbone interact. energy: 0.037 local terms energy: -44.242914 where: bonds (distance) C4'-P energy: -10.266 bonds (distance) P-C4' energy: -12.538 flat angles C4'-P-C4' energy: -10.987 flat angles P-C4'-P energy: -5.926 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: 9, replica: 9 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -158.299779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.299779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.299779 (E_RNA) where: Base-Base interactions energy: -103.801 where: short stacking energy: -52.310 Base-Backbone interact. energy: -0.060 local terms energy: -54.438154 where: bonds (distance) C4'-P energy: -14.787 bonds (distance) P-C4' energy: -8.204 flat angles C4'-P-C4' energy: -13.473 flat angles P-C4'-P energy: -6.523 tors. eta vs tors. theta energy: -11.452 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: 10, replica: 2 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -85.216784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.216784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.216784 (E_RNA) where: Base-Base interactions energy: -36.931 where: short stacking energy: -32.614 Base-Backbone interact. energy: -0.050 local terms energy: -48.235560 where: bonds (distance) C4'-P energy: -10.668 bonds (distance) P-C4' energy: -16.382 flat angles C4'-P-C4' energy: -5.192 flat angles P-C4'-P energy: -10.592 tors. eta vs tors. theta energy: -5.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -212.629349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.629349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.629349 (E_RNA) where: Base-Base interactions energy: -144.005 where: short stacking energy: -59.225 Base-Backbone interact. energy: -0.198 local terms energy: -68.426015 where: bonds (distance) C4'-P energy: -15.876 bonds (distance) P-C4' energy: -14.237 flat angles C4'-P-C4' energy: -15.232 flat angles P-C4'-P energy: -7.196 tors. eta vs tors. theta energy: -15.885 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: 6 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -205.412012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.412012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.412012 (E_RNA) where: Base-Base interactions energy: -141.385 where: short stacking energy: -54.891 Base-Backbone interact. energy: -0.290 local terms energy: -63.737215 where: bonds (distance) C4'-P energy: -13.243 bonds (distance) P-C4' energy: -12.900 flat angles C4'-P-C4' energy: -15.429 flat angles P-C4'-P energy: -6.892 tors. eta vs tors. theta energy: -15.273 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: 4 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -197.273850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.273850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.273850 (E_RNA) where: Base-Base interactions energy: -131.659 where: short stacking energy: -51.304 Base-Backbone interact. energy: -0.431 local terms energy: -65.183111 where: bonds (distance) C4'-P energy: -13.624 bonds (distance) P-C4' energy: -16.146 flat angles C4'-P-C4' energy: -12.775 flat angles P-C4'-P energy: -9.795 tors. eta vs tors. theta energy: -12.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -205.949803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.949803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.949803 (E_RNA) where: Base-Base interactions energy: -139.871 where: short stacking energy: -52.531 Base-Backbone interact. energy: -0.107 local terms energy: -65.971247 where: bonds (distance) C4'-P energy: -15.185 bonds (distance) P-C4' energy: -16.266 flat angles C4'-P-C4' energy: -13.093 flat angles P-C4'-P energy: -10.256 tors. eta vs tors. theta energy: -11.172 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: 7 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -199.258706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.258706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.258706 (E_RNA) where: Base-Base interactions energy: -138.400 where: short stacking energy: -61.000 Base-Backbone interact. energy: -0.324 local terms energy: -60.535316 where: bonds (distance) C4'-P energy: -8.552 bonds (distance) P-C4' energy: -14.680 flat angles C4'-P-C4' energy: -16.376 flat angles P-C4'-P energy: -4.396 tors. eta vs tors. theta energy: -16.530 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: 8 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -169.748650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.748650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.748650 (E_RNA) where: Base-Base interactions energy: -110.768 where: short stacking energy: -48.796 Base-Backbone interact. energy: -0.270 local terms energy: -58.710490 where: bonds (distance) C4'-P energy: -12.046 bonds (distance) P-C4' energy: -11.162 flat angles C4'-P-C4' energy: -14.505 flat angles P-C4'-P energy: -10.851 tors. eta vs tors. theta energy: -10.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -183.461084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.461084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.461084 (E_RNA) where: Base-Base interactions energy: -128.513 where: short stacking energy: -50.696 Base-Backbone interact. energy: 1.256 local terms energy: -56.204682 where: bonds (distance) C4'-P energy: -10.762 bonds (distance) P-C4' energy: -13.147 flat angles C4'-P-C4' energy: -14.350 flat angles P-C4'-P energy: -6.684 tors. eta vs tors. theta energy: -11.261 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: 5 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -106.694162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.694162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.694162 (E_RNA) where: Base-Base interactions energy: -62.668 where: short stacking energy: -39.258 Base-Backbone interact. energy: 0.441 local terms energy: -44.466696 where: bonds (distance) C4'-P energy: -12.214 bonds (distance) P-C4' energy: -13.226 flat angles C4'-P-C4' energy: -6.256 flat angles P-C4'-P energy: -7.634 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: 9, replica: 9 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -166.228537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.228537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.228537 (E_RNA) where: Base-Base interactions energy: -107.532 where: short stacking energy: -45.492 Base-Backbone interact. energy: -0.586 local terms energy: -58.110086 where: bonds (distance) C4'-P energy: -13.251 bonds (distance) P-C4' energy: -12.847 flat angles C4'-P-C4' energy: -12.844 flat angles P-C4'-P energy: -8.022 tors. eta vs tors. theta energy: -11.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -85.049454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.049454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.049454 (E_RNA) where: Base-Base interactions energy: -39.367 where: short stacking energy: -31.130 Base-Backbone interact. energy: -0.122 local terms energy: -45.559841 where: bonds (distance) C4'-P energy: -9.451 bonds (distance) P-C4' energy: -11.774 flat angles C4'-P-C4' energy: -12.261 flat angles P-C4'-P energy: -7.173 tors. eta vs tors. theta energy: -4.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -214.757304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.757304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.757304 (E_RNA) where: Base-Base interactions energy: -146.431 where: short stacking energy: -60.830 Base-Backbone interact. energy: -1.415 local terms energy: -66.910700 where: bonds (distance) C4'-P energy: -15.463 bonds (distance) P-C4' energy: -15.953 flat angles C4'-P-C4' energy: -15.093 flat angles P-C4'-P energy: -7.947 tors. eta vs tors. theta energy: -12.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -209.717809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.717809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.717809 (E_RNA) where: Base-Base interactions energy: -146.357 where: short stacking energy: -61.309 Base-Backbone interact. energy: -0.008 local terms energy: -63.353051 where: bonds (distance) C4'-P energy: -14.253 bonds (distance) P-C4' energy: -12.144 flat angles C4'-P-C4' energy: -14.719 flat angles P-C4'-P energy: -10.028 tors. eta vs tors. theta energy: -12.210 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: 421 Temperature: 1.000000 Total energy: -200.705521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.705521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.705521 (E_RNA) where: Base-Base interactions energy: -131.911 where: short stacking energy: -55.093 Base-Backbone interact. energy: -0.623 local terms energy: -68.171151 where: bonds (distance) C4'-P energy: -11.644 bonds (distance) P-C4' energy: -16.625 flat angles C4'-P-C4' energy: -13.304 flat angles P-C4'-P energy: -9.614 tors. eta vs tors. theta energy: -16.984 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: 3 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -198.393479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.393479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.393479 (E_RNA) where: Base-Base interactions energy: -130.117 where: short stacking energy: -46.193 Base-Backbone interact. energy: -0.087 local terms energy: -68.190406 where: bonds (distance) C4'-P energy: -16.526 bonds (distance) P-C4' energy: -16.625 flat angles C4'-P-C4' energy: -12.683 flat angles P-C4'-P energy: -8.468 tors. eta vs tors. theta energy: -13.889 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: 7 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -191.274031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.274031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.274031 (E_RNA) where: Base-Base interactions energy: -128.982 where: short stacking energy: -53.958 Base-Backbone interact. energy: -0.287 local terms energy: -62.005727 where: bonds (distance) C4'-P energy: -14.774 bonds (distance) P-C4' energy: -13.340 flat angles C4'-P-C4' energy: -13.371 flat angles P-C4'-P energy: -5.029 tors. eta vs tors. theta energy: -15.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -173.531231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.531231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.531231 (E_RNA) where: Base-Base interactions energy: -119.994 where: short stacking energy: -43.838 Base-Backbone interact. energy: -0.121 local terms energy: -53.416706 where: bonds (distance) C4'-P energy: -12.812 bonds (distance) P-C4' energy: -13.588 flat angles C4'-P-C4' energy: -8.336 flat angles P-C4'-P energy: -11.454 tors. eta vs tors. theta energy: -7.227 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: 421 Temperature: 1.200000 Total energy: -176.004684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.004684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.004684 (E_RNA) where: Base-Base interactions energy: -120.204 where: short stacking energy: -62.520 Base-Backbone interact. energy: -0.101 local terms energy: -55.700189 where: bonds (distance) C4'-P energy: -9.583 bonds (distance) P-C4' energy: -10.792 flat angles C4'-P-C4' energy: -10.837 flat angles P-C4'-P energy: -9.859 tors. eta vs tors. theta energy: -14.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -165.284815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.284815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.284815 (E_RNA) where: Base-Base interactions energy: -108.522 where: short stacking energy: -37.057 Base-Backbone interact. energy: -0.046 local terms energy: -56.716849 where: bonds (distance) C4'-P energy: -13.507 bonds (distance) P-C4' energy: -16.731 flat angles C4'-P-C4' energy: -11.759 flat angles P-C4'-P energy: -9.022 tors. eta vs tors. theta energy: -5.697 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: 9, replica: 5 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -80.992518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.992518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.992518 (E_RNA) where: Base-Base interactions energy: -26.400 where: short stacking energy: -26.400 Base-Backbone interact. energy: 0.006 local terms energy: -54.598016 where: bonds (distance) C4'-P energy: -14.903 bonds (distance) P-C4' energy: -15.383 flat angles C4'-P-C4' energy: -12.994 flat angles P-C4'-P energy: -9.672 tors. eta vs tors. theta energy: -1.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -82.797204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.797204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.797204 (E_RNA) where: Base-Base interactions energy: -31.332 where: short stacking energy: -34.832 Base-Backbone interact. energy: -0.039 local terms energy: -51.425981 where: bonds (distance) C4'-P energy: -13.428 bonds (distance) P-C4' energy: -13.084 flat angles C4'-P-C4' energy: -10.213 flat angles P-C4'-P energy: -7.848 tors. eta vs tors. theta energy: -6.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -221.263605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.263605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.263605 (E_RNA) where: Base-Base interactions energy: -150.865 where: short stacking energy: -63.479 Base-Backbone interact. energy: -0.858 local terms energy: -69.540437 where: bonds (distance) C4'-P energy: -14.054 bonds (distance) P-C4' energy: -12.628 flat angles C4'-P-C4' energy: -15.376 flat angles P-C4'-P energy: -9.204 tors. eta vs tors. theta energy: -18.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -212.447636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.447636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.447636 (E_RNA) where: Base-Base interactions energy: -142.673 where: short stacking energy: -72.308 Base-Backbone interact. energy: -0.027 local terms energy: -69.747985 where: bonds (distance) C4'-P energy: -13.264 bonds (distance) P-C4' energy: -13.225 flat angles C4'-P-C4' energy: -14.073 flat angles P-C4'-P energy: -12.169 tors. eta vs tors. theta energy: -17.017 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: 4 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -204.977029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.977029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.977029 (E_RNA) where: Base-Base interactions energy: -142.677 where: short stacking energy: -46.715 Base-Backbone interact. energy: -0.185 local terms energy: -62.114300 where: bonds (distance) C4'-P energy: -15.628 bonds (distance) P-C4' energy: -12.936 flat angles C4'-P-C4' energy: -13.708 flat angles P-C4'-P energy: -9.892 tors. eta vs tors. theta energy: -9.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -195.070578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.070578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.070578 (E_RNA) where: Base-Base interactions energy: -129.637 where: short stacking energy: -57.707 Base-Backbone interact. energy: -0.028 local terms energy: -65.405641 where: bonds (distance) C4'-P energy: -11.139 bonds (distance) P-C4' energy: -14.205 flat angles C4'-P-C4' energy: -12.462 flat angles P-C4'-P energy: -11.116 tors. eta vs tors. theta energy: -16.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -183.959941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.959941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.959941 (E_RNA) where: Base-Base interactions energy: -126.844 where: short stacking energy: -53.306 Base-Backbone interact. energy: 0.317 local terms energy: -57.433151 where: bonds (distance) C4'-P energy: -14.108 bonds (distance) P-C4' energy: -14.226 flat angles C4'-P-C4' energy: -11.938 flat angles P-C4'-P energy: -7.866 tors. eta vs tors. theta energy: -9.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -184.684372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.684372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.684372 (E_RNA) where: Base-Base interactions energy: -121.820 where: short stacking energy: -49.967 Base-Backbone interact. energy: -0.038 local terms energy: -62.826974 where: bonds (distance) C4'-P energy: -11.019 bonds (distance) P-C4' energy: -15.652 flat angles C4'-P-C4' energy: -15.051 flat angles P-C4'-P energy: -10.686 tors. eta vs tors. theta energy: -10.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -164.719801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.719801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.719801 (E_RNA) where: Base-Base interactions energy: -109.928 where: short stacking energy: -52.170 Base-Backbone interact. energy: -0.023 local terms energy: -54.769605 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -12.554 flat angles C4'-P-C4' energy: -14.673 flat angles P-C4'-P energy: -8.697 tors. eta vs tors. theta energy: -11.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -156.433316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.433316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.433316 (E_RNA) where: Base-Base interactions energy: -111.660 where: short stacking energy: -43.150 Base-Backbone interact. energy: -0.310 local terms energy: -44.462687 where: bonds (distance) C4'-P energy: -12.166 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -11.460 flat angles P-C4'-P energy: -3.490 tors. eta vs tors. theta energy: -9.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -84.118867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.118867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.118867 (E_RNA) where: Base-Base interactions energy: -29.751 where: short stacking energy: -29.751 Base-Backbone interact. energy: -0.091 local terms energy: -54.276815 where: bonds (distance) C4'-P energy: -13.176 bonds (distance) P-C4' energy: -9.798 flat angles C4'-P-C4' energy: -13.796 flat angles P-C4'-P energy: -12.564 tors. eta vs tors. theta energy: -4.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -72.223565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.223565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.223565 (E_RNA) where: Base-Base interactions energy: -39.886 where: short stacking energy: -22.310 Base-Backbone interact. energy: -0.138 local terms energy: -32.199361 where: bonds (distance) C4'-P energy: -8.694 bonds (distance) P-C4' energy: -6.860 flat angles C4'-P-C4' energy: -11.774 flat angles P-C4'-P energy: -7.780 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: 1, replica: 6 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -221.761099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.761099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.761099 (E_RNA) where: Base-Base interactions energy: -152.284 where: short stacking energy: -65.200 Base-Backbone interact. energy: -0.578 local terms energy: -68.898524 where: bonds (distance) C4'-P energy: -14.409 bonds (distance) P-C4' energy: -14.207 flat angles C4'-P-C4' energy: -14.764 flat angles P-C4'-P energy: -9.677 tors. eta vs tors. theta energy: -15.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -203.655720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.655720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.655720 (E_RNA) where: Base-Base interactions energy: -138.810 where: short stacking energy: -62.857 Base-Backbone interact. energy: -1.990 local terms energy: -62.855268 where: bonds (distance) C4'-P energy: -12.780 bonds (distance) P-C4' energy: -14.483 flat angles C4'-P-C4' energy: -17.525 flat angles P-C4'-P energy: -5.891 tors. eta vs tors. theta energy: -12.176 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: 10 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -211.130358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.130358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.130358 (E_RNA) where: Base-Base interactions energy: -146.140 where: short stacking energy: -59.610 Base-Backbone interact. energy: -0.535 local terms energy: -64.455059 where: bonds (distance) C4'-P energy: -15.060 bonds (distance) P-C4' energy: -14.362 flat angles C4'-P-C4' energy: -11.746 flat angles P-C4'-P energy: -10.896 tors. eta vs tors. theta energy: -12.391 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: 4, replica: 1 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -191.559670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.559670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.559670 (E_RNA) where: Base-Base interactions energy: -123.060 where: short stacking energy: -50.932 Base-Backbone interact. energy: -0.230 local terms energy: -68.269855 where: bonds (distance) C4'-P energy: -16.311 bonds (distance) P-C4' energy: -14.194 flat angles C4'-P-C4' energy: -12.523 flat angles P-C4'-P energy: -10.550 tors. eta vs tors. theta energy: -14.691 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: 3 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -201.420438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.420438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.420438 (E_RNA) where: Base-Base interactions energy: -144.680 where: short stacking energy: -60.904 Base-Backbone interact. energy: -0.141 local terms energy: -56.599514 where: bonds (distance) C4'-P energy: -15.734 bonds (distance) P-C4' energy: -7.589 flat angles C4'-P-C4' energy: -8.727 flat angles P-C4'-P energy: -8.922 tors. eta vs tors. theta energy: -15.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -171.312367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.312367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.312367 (E_RNA) where: Base-Base interactions energy: -107.367 where: short stacking energy: -48.202 Base-Backbone interact. energy: -0.156 local terms energy: -63.789621 where: bonds (distance) C4'-P energy: -12.336 bonds (distance) P-C4' energy: -14.244 flat angles C4'-P-C4' energy: -11.056 flat angles P-C4'-P energy: -13.170 tors. eta vs tors. theta energy: -12.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -161.378415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.378415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.378415 (E_RNA) where: Base-Base interactions energy: -105.355 where: short stacking energy: -41.965 Base-Backbone interact. energy: -0.965 local terms energy: -55.058578 where: bonds (distance) C4'-P energy: -16.198 bonds (distance) P-C4' energy: -10.151 flat angles C4'-P-C4' energy: -13.767 flat angles P-C4'-P energy: -8.854 tors. eta vs tors. theta energy: -6.087 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: 9 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -153.744326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.744326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.744326 (E_RNA) where: Base-Base interactions energy: -105.236 where: short stacking energy: -43.088 Base-Backbone interact. energy: -0.216 local terms energy: -48.292176 where: bonds (distance) C4'-P energy: -13.135 bonds (distance) P-C4' energy: -13.271 flat angles C4'-P-C4' energy: -10.959 flat angles P-C4'-P energy: -6.843 tors. eta vs tors. theta energy: -4.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -94.859436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.859436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.859436 (E_RNA) where: Base-Base interactions energy: -49.255 where: short stacking energy: -38.803 Base-Backbone interact. energy: -0.173 local terms energy: -45.431103 where: bonds (distance) C4'-P energy: -10.726 bonds (distance) P-C4' energy: -11.171 flat angles C4'-P-C4' energy: -10.743 flat angles P-C4'-P energy: -5.690 tors. eta vs tors. theta energy: -7.101 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: 5 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -72.417422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.417422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.417422 (E_RNA) where: Base-Base interactions energy: -29.787 where: short stacking energy: -27.720 Base-Backbone interact. energy: 0.131 local terms energy: -42.761366 where: bonds (distance) C4'-P energy: -12.981 bonds (distance) P-C4' energy: -12.793 flat angles C4'-P-C4' energy: -7.180 flat angles P-C4'-P energy: -5.120 tors. eta vs tors. theta energy: -4.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -217.994253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.994253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.994253 (E_RNA) where: Base-Base interactions energy: -156.630 where: short stacking energy: -62.824 Base-Backbone interact. energy: 0.729 local terms energy: -62.093586 where: bonds (distance) C4'-P energy: -15.130 bonds (distance) P-C4' energy: -16.262 flat angles C4'-P-C4' energy: -11.708 flat angles P-C4'-P energy: -2.574 tors. eta vs tors. theta energy: -16.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -211.421736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.421736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.421736 (E_RNA) where: Base-Base interactions energy: -147.217 where: short stacking energy: -51.359 Base-Backbone interact. energy: -0.299 local terms energy: -63.905241 where: bonds (distance) C4'-P energy: -11.848 bonds (distance) P-C4' energy: -17.985 flat angles C4'-P-C4' energy: -9.177 flat angles P-C4'-P energy: -10.632 tors. eta vs tors. theta energy: -14.262 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: 1 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -195.346194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.346194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.346194 (E_RNA) where: Base-Base interactions energy: -124.525 where: short stacking energy: -49.834 Base-Backbone interact. energy: -0.176 local terms energy: -70.645276 where: bonds (distance) C4'-P energy: -14.128 bonds (distance) P-C4' energy: -15.846 flat angles C4'-P-C4' energy: -15.164 flat angles P-C4'-P energy: -9.456 tors. eta vs tors. theta energy: -16.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -195.325857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.325857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.325857 (E_RNA) where: Base-Base interactions energy: -142.594 where: short stacking energy: -51.128 Base-Backbone interact. energy: -0.690 local terms energy: -52.042419 where: bonds (distance) C4'-P energy: -8.327 bonds (distance) P-C4' energy: -13.005 flat angles C4'-P-C4' energy: -13.455 flat angles P-C4'-P energy: -7.960 tors. eta vs tors. theta energy: -9.295 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: 3 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -185.404763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.404763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.404763 (E_RNA) where: Base-Base interactions energy: -123.398 where: short stacking energy: -55.889 Base-Backbone interact. energy: -0.150 local terms energy: -61.856545 where: bonds (distance) C4'-P energy: -14.650 bonds (distance) P-C4' energy: -12.830 flat angles C4'-P-C4' energy: -16.137 flat angles P-C4'-P energy: -4.207 tors. eta vs tors. theta energy: -14.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -176.922396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.922396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.922396 (E_RNA) where: Base-Base interactions energy: -112.430 where: short stacking energy: -51.051 Base-Backbone interact. energy: -0.118 local terms energy: -64.374695 where: bonds (distance) C4'-P energy: -9.278 bonds (distance) P-C4' energy: -17.122 flat angles C4'-P-C4' energy: -14.836 flat angles P-C4'-P energy: -10.807 tors. eta vs tors. theta energy: -12.331 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: 7, replica: 7 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -155.242365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.242365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.242365 (E_RNA) where: Base-Base interactions energy: -102.450 where: short stacking energy: -42.841 Base-Backbone interact. energy: 0.431 local terms energy: -53.223108 where: bonds (distance) C4'-P energy: -12.511 bonds (distance) P-C4' energy: -13.039 flat angles C4'-P-C4' energy: -10.037 flat angles P-C4'-P energy: -12.659 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: 8, replica: 9 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -134.614701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.614701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.614701 (E_RNA) where: Base-Base interactions energy: -93.720 where: short stacking energy: -34.942 Base-Backbone interact. energy: -0.315 local terms energy: -40.580033 where: bonds (distance) C4'-P energy: -7.011 bonds (distance) P-C4' energy: -13.778 flat angles C4'-P-C4' energy: -12.737 flat angles P-C4'-P energy: -5.229 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: 9, replica: 5 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -84.445931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.445931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.445931 (E_RNA) where: Base-Base interactions energy: -35.656 where: short stacking energy: -30.896 Base-Backbone interact. energy: -0.012 local terms energy: -48.777823 where: bonds (distance) C4'-P energy: -14.394 bonds (distance) P-C4' energy: -14.327 flat angles C4'-P-C4' energy: -11.105 flat angles P-C4'-P energy: -6.784 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: 10, replica: 2 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -75.568421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.568421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.568421 (E_RNA) where: Base-Base interactions energy: -26.157 where: short stacking energy: -26.157 Base-Backbone interact. energy: -0.006 local terms energy: -49.404632 where: bonds (distance) C4'-P energy: -13.864 bonds (distance) P-C4' energy: -14.385 flat angles C4'-P-C4' energy: -11.298 flat angles P-C4'-P energy: -7.011 tors. eta vs tors. theta energy: -2.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -220.831310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.831310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.831310 (E_RNA) where: Base-Base interactions energy: -154.812 where: short stacking energy: -61.700 Base-Backbone interact. energy: -0.155 local terms energy: -65.863826 where: bonds (distance) C4'-P energy: -15.843 bonds (distance) P-C4' energy: -16.287 flat angles C4'-P-C4' energy: -10.096 flat angles P-C4'-P energy: -6.786 tors. eta vs tors. theta energy: -16.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -218.869308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.869308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.869308 (E_RNA) where: Base-Base interactions energy: -144.605 where: short stacking energy: -57.061 Base-Backbone interact. energy: -0.870 local terms energy: -73.394268 where: bonds (distance) C4'-P energy: -16.827 bonds (distance) P-C4' energy: -15.609 flat angles C4'-P-C4' energy: -16.136 flat angles P-C4'-P energy: -9.808 tors. eta vs tors. theta energy: -15.014 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: 1 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -191.325548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.325548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.325548 (E_RNA) where: Base-Base interactions energy: -124.587 where: short stacking energy: -51.054 Base-Backbone interact. energy: -0.066 local terms energy: -66.672371 where: bonds (distance) C4'-P energy: -12.721 bonds (distance) P-C4' energy: -13.141 flat angles C4'-P-C4' energy: -13.762 flat angles P-C4'-P energy: -12.470 tors. eta vs tors. theta energy: -14.579 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: 425 Temperature: 1.050000 Total energy: -195.785059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.785059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.785059 (E_RNA) where: Base-Base interactions energy: -125.587 where: short stacking energy: -55.996 Base-Backbone interact. energy: -0.527 local terms energy: -69.670261 where: bonds (distance) C4'-P energy: -10.618 bonds (distance) P-C4' energy: -14.738 flat angles C4'-P-C4' energy: -17.239 flat angles P-C4'-P energy: -9.249 tors. eta vs tors. theta energy: -17.826 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: 3 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -193.027787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.027787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.027787 (E_RNA) where: Base-Base interactions energy: -139.797 where: short stacking energy: -57.359 Base-Backbone interact. energy: -0.268 local terms energy: -52.962818 where: bonds (distance) C4'-P energy: -7.685 bonds (distance) P-C4' energy: -13.385 flat angles C4'-P-C4' energy: -12.592 flat angles P-C4'-P energy: -7.532 tors. eta vs tors. theta energy: -11.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -167.240643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.240643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.240643 (E_RNA) where: Base-Base interactions energy: -112.033 where: short stacking energy: -36.413 Base-Backbone interact. energy: -0.382 local terms energy: -54.825444 where: bonds (distance) C4'-P energy: -10.585 bonds (distance) P-C4' energy: -12.074 flat angles C4'-P-C4' energy: -12.800 flat angles P-C4'-P energy: -10.115 tors. eta vs tors. theta energy: -9.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -150.628740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.628740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.628740 (E_RNA) where: Base-Base interactions energy: -98.801 where: short stacking energy: -42.336 Base-Backbone interact. energy: -0.540 local terms energy: -51.287212 where: bonds (distance) C4'-P energy: -10.663 bonds (distance) P-C4' energy: -11.682 flat angles C4'-P-C4' energy: -13.363 flat angles P-C4'-P energy: -10.537 tors. eta vs tors. theta energy: -5.043 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: 8, replica: 5 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -94.760213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.760213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.760213 (E_RNA) where: Base-Base interactions energy: -39.215 where: short stacking energy: -28.979 Base-Backbone interact. energy: -0.774 local terms energy: -54.770838 where: bonds (distance) C4'-P energy: -11.757 bonds (distance) P-C4' energy: -11.775 flat angles C4'-P-C4' energy: -13.834 flat angles P-C4'-P energy: -8.658 tors. eta vs tors. theta energy: -8.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -167.049943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.049943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.049943 (E_RNA) where: Base-Base interactions energy: -104.564 where: short stacking energy: -52.020 Base-Backbone interact. energy: 0.524 local terms energy: -63.010544 where: bonds (distance) C4'-P energy: -13.110 bonds (distance) P-C4' energy: -14.226 flat angles C4'-P-C4' energy: -15.098 flat angles P-C4'-P energy: -8.896 tors. eta vs tors. theta energy: -11.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -86.585761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.585761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.585761 (E_RNA) where: Base-Base interactions energy: -38.665 where: short stacking energy: -28.534 Base-Backbone interact. energy: -0.032 local terms energy: -47.888051 where: bonds (distance) C4'-P energy: -15.794 bonds (distance) P-C4' energy: -12.312 flat angles C4'-P-C4' energy: -11.358 flat angles P-C4'-P energy: -5.329 tors. eta vs tors. theta energy: -3.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -222.896158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.896158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.896158 (E_RNA) where: Base-Base interactions energy: -152.531 where: short stacking energy: -58.219 Base-Backbone interact. energy: -0.340 local terms energy: -70.024948 where: bonds (distance) C4'-P energy: -14.849 bonds (distance) P-C4' energy: -14.763 flat angles C4'-P-C4' energy: -12.260 flat angles P-C4'-P energy: -12.624 tors. eta vs tors. theta energy: -15.529 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: 4 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -209.731957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.731957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.731957 (E_RNA) where: Base-Base interactions energy: -145.136 where: short stacking energy: -55.900 Base-Backbone interact. energy: -0.618 local terms energy: -63.977884 where: bonds (distance) C4'-P energy: -14.359 bonds (distance) P-C4' energy: -17.319 flat angles C4'-P-C4' energy: -11.133 flat angles P-C4'-P energy: -9.714 tors. eta vs tors. theta energy: -11.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -205.563342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.563342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.563342 (E_RNA) where: Base-Base interactions energy: -135.692 where: short stacking energy: -56.725 Base-Backbone interact. energy: -0.234 local terms energy: -69.637089 where: bonds (distance) C4'-P energy: -16.613 bonds (distance) P-C4' energy: -15.830 flat angles C4'-P-C4' energy: -12.789 flat angles P-C4'-P energy: -7.853 tors. eta vs tors. theta energy: -16.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -175.922035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.922035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.922035 (E_RNA) where: Base-Base interactions energy: -106.051 where: short stacking energy: -53.259 Base-Backbone interact. energy: -0.258 local terms energy: -69.612514 where: bonds (distance) C4'-P energy: -15.437 bonds (distance) P-C4' energy: -16.336 flat angles C4'-P-C4' energy: -15.263 flat angles P-C4'-P energy: -11.201 tors. eta vs tors. theta energy: -11.376 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: 8 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -180.199455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.199455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.199455 (E_RNA) where: Base-Base interactions energy: -117.575 where: short stacking energy: -49.404 Base-Backbone interact. energy: -0.105 local terms energy: -62.518899 where: bonds (distance) C4'-P energy: -12.494 bonds (distance) P-C4' energy: -13.719 flat angles C4'-P-C4' energy: -13.185 flat angles P-C4'-P energy: -9.259 tors. eta vs tors. theta energy: -13.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -171.677471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.677471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.677471 (E_RNA) where: Base-Base interactions energy: -105.256 where: short stacking energy: -60.050 Base-Backbone interact. energy: -0.004 local terms energy: -66.417010 where: bonds (distance) C4'-P energy: -16.340 bonds (distance) P-C4' energy: -13.221 flat angles C4'-P-C4' energy: -10.734 flat angles P-C4'-P energy: -10.416 tors. eta vs tors. theta energy: -15.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -167.987487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.987487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.987487 (E_RNA) where: Base-Base interactions energy: -109.241 where: short stacking energy: -46.316 Base-Backbone interact. energy: -0.158 local terms energy: -58.589142 where: bonds (distance) C4'-P energy: -9.934 bonds (distance) P-C4' energy: -16.382 flat angles C4'-P-C4' energy: -12.447 flat angles P-C4'-P energy: -10.540 tors. eta vs tors. theta energy: -9.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -89.393821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.393821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.393821 (E_RNA) where: Base-Base interactions energy: -37.173 where: short stacking energy: -31.955 Base-Backbone interact. energy: -0.179 local terms energy: -52.041371 where: bonds (distance) C4'-P energy: -14.303 bonds (distance) P-C4' energy: -9.354 flat angles C4'-P-C4' energy: -14.523 flat angles P-C4'-P energy: -7.499 tors. eta vs tors. theta energy: -6.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -157.484721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.484721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.484721 (E_RNA) where: Base-Base interactions energy: -102.416 where: short stacking energy: -42.808 Base-Backbone interact. energy: -0.249 local terms energy: -54.820001 where: bonds (distance) C4'-P energy: -12.084 bonds (distance) P-C4' energy: -11.919 flat angles C4'-P-C4' energy: -13.124 flat angles P-C4'-P energy: -8.733 tors. eta vs tors. theta energy: -8.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -73.196273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.196273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.196273 (E_RNA) where: Base-Base interactions energy: -26.676 where: short stacking energy: -19.760 Base-Backbone interact. energy: -0.221 local terms energy: -46.299224 where: bonds (distance) C4'-P energy: -13.544 bonds (distance) P-C4' energy: -11.370 flat angles C4'-P-C4' energy: -13.584 flat angles P-C4'-P energy: -6.447 tors. eta vs tors. theta energy: -1.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -219.239092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.239092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.239092 (E_RNA) where: Base-Base interactions energy: -148.400 where: short stacking energy: -54.805 Base-Backbone interact. energy: -0.442 local terms energy: -70.396682 where: bonds (distance) C4'-P energy: -14.592 bonds (distance) P-C4' energy: -14.074 flat angles C4'-P-C4' energy: -13.085 flat angles P-C4'-P energy: -13.078 tors. eta vs tors. theta energy: -15.567 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: 4 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -202.407570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.407570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.407570 (E_RNA) where: Base-Base interactions energy: -135.385 where: short stacking energy: -54.973 Base-Backbone interact. energy: -0.105 local terms energy: -66.917291 where: bonds (distance) C4'-P energy: -15.032 bonds (distance) P-C4' energy: -13.454 flat angles C4'-P-C4' energy: -14.520 flat angles P-C4'-P energy: -6.973 tors. eta vs tors. theta energy: -16.939 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: 3, replica: 1 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -201.649548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.649548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.649548 (E_RNA) where: Base-Base interactions energy: -138.110 where: short stacking energy: -56.647 Base-Backbone interact. energy: -0.063 local terms energy: -63.476219 where: bonds (distance) C4'-P energy: -14.622 bonds (distance) P-C4' energy: -13.905 flat angles C4'-P-C4' energy: -12.531 flat angles P-C4'-P energy: -8.121 tors. eta vs tors. theta energy: -14.298 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: 4, replica: 8 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -182.044708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.044708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.044708 (E_RNA) where: Base-Base interactions energy: -116.636 where: short stacking energy: -57.940 Base-Backbone interact. energy: -0.104 local terms energy: -65.304200 where: bonds (distance) C4'-P energy: -12.399 bonds (distance) P-C4' energy: -17.106 flat angles C4'-P-C4' energy: -14.021 flat angles P-C4'-P energy: -6.944 tors. eta vs tors. theta energy: -14.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -175.436859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.436859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.436859 (E_RNA) where: Base-Base interactions energy: -111.189 where: short stacking energy: -51.199 Base-Backbone interact. energy: -0.226 local terms energy: -64.022269 where: bonds (distance) C4'-P energy: -16.029 bonds (distance) P-C4' energy: -15.634 flat angles C4'-P-C4' energy: -13.112 flat angles P-C4'-P energy: -7.879 tors. eta vs tors. theta energy: -11.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -190.253841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.253841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.253841 (E_RNA) where: Base-Base interactions energy: -129.170 where: short stacking energy: -58.729 Base-Backbone interact. energy: -0.517 local terms energy: -60.566682 where: bonds (distance) C4'-P energy: -14.903 bonds (distance) P-C4' energy: -11.668 flat angles C4'-P-C4' energy: -10.626 flat angles P-C4'-P energy: -8.859 tors. eta vs tors. theta energy: -14.510 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: 3 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -155.279433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.279433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.279433 (E_RNA) where: Base-Base interactions energy: -98.660 where: short stacking energy: -46.425 Base-Backbone interact. energy: -0.332 local terms energy: -56.287580 where: bonds (distance) C4'-P energy: -13.173 bonds (distance) P-C4' energy: -12.426 flat angles C4'-P-C4' energy: -10.269 flat angles P-C4'-P energy: -12.251 tors. eta vs tors. theta energy: -8.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -167.934753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.934753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.934753 (E_RNA) where: Base-Base interactions energy: -107.477 where: short stacking energy: -52.307 Base-Backbone interact. energy: -0.844 local terms energy: -59.612767 where: bonds (distance) C4'-P energy: -13.280 bonds (distance) P-C4' energy: -12.794 flat angles C4'-P-C4' energy: -15.134 flat angles P-C4'-P energy: -6.476 tors. eta vs tors. theta energy: -11.929 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: 5 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -81.957845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.957845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.957845 (E_RNA) where: Base-Base interactions energy: -44.217 where: short stacking energy: -41.918 Base-Backbone interact. energy: 1.267 local terms energy: -39.007155 where: bonds (distance) C4'-P energy: -13.816 bonds (distance) P-C4' energy: -9.520 flat angles C4'-P-C4' energy: -6.138 flat angles P-C4'-P energy: -2.138 tors. eta vs tors. theta energy: -7.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -78.534792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.534792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.534792 (E_RNA) where: Base-Base interactions energy: -31.472 where: short stacking energy: -31.472 Base-Backbone interact. energy: -0.222 local terms energy: -46.840899 where: bonds (distance) C4'-P energy: -10.207 bonds (distance) P-C4' energy: -13.646 flat angles C4'-P-C4' energy: -12.159 flat angles P-C4'-P energy: -8.396 tors. eta vs tors. theta energy: -2.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -222.634377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.634377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.634377 (E_RNA) where: Base-Base interactions energy: -155.367 where: short stacking energy: -58.180 Base-Backbone interact. energy: -0.669 local terms energy: -66.598964 where: bonds (distance) C4'-P energy: -13.976 bonds (distance) P-C4' energy: -12.978 flat angles C4'-P-C4' energy: -10.650 flat angles P-C4'-P energy: -11.317 tors. eta vs tors. theta energy: -17.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -210.626468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.626468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.626468 (E_RNA) where: Base-Base interactions energy: -138.575 where: short stacking energy: -57.902 Base-Backbone interact. energy: -0.767 local terms energy: -71.283792 where: bonds (distance) C4'-P energy: -14.004 bonds (distance) P-C4' energy: -13.531 flat angles C4'-P-C4' energy: -14.833 flat angles P-C4'-P energy: -10.353 tors. eta vs tors. theta energy: -18.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -190.993563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.993563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.993563 (E_RNA) where: Base-Base interactions energy: -128.042 where: short stacking energy: -52.327 Base-Backbone interact. energy: -0.043 local terms energy: -62.908852 where: bonds (distance) C4'-P energy: -11.714 bonds (distance) P-C4' energy: -16.143 flat angles C4'-P-C4' energy: -14.450 flat angles P-C4'-P energy: -8.053 tors. eta vs tors. theta energy: -12.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -197.635906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.635906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.635906 (E_RNA) where: Base-Base interactions energy: -133.945 where: short stacking energy: -58.093 Base-Backbone interact. energy: -0.088 local terms energy: -63.602640 where: bonds (distance) C4'-P energy: -11.190 bonds (distance) P-C4' energy: -14.937 flat angles C4'-P-C4' energy: -16.851 flat angles P-C4'-P energy: -5.441 tors. eta vs tors. theta energy: -15.183 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: 7 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -190.236815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.236815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.236815 (E_RNA) where: Base-Base interactions energy: -128.005 where: short stacking energy: -55.601 Base-Backbone interact. energy: -0.031 local terms energy: -62.200705 where: bonds (distance) C4'-P energy: -11.015 bonds (distance) P-C4' energy: -11.496 flat angles C4'-P-C4' energy: -14.460 flat angles P-C4'-P energy: -10.625 tors. eta vs tors. theta energy: -14.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -168.583575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.583575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.583575 (E_RNA) where: Base-Base interactions energy: -118.809 where: short stacking energy: -57.459 Base-Backbone interact. energy: -0.027 local terms energy: -49.747498 where: bonds (distance) C4'-P energy: -9.232 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -12.160 flat angles P-C4'-P energy: -6.060 tors. eta vs tors. theta energy: -14.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -159.689259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.689259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.689259 (E_RNA) where: Base-Base interactions energy: -98.443 where: short stacking energy: -41.512 Base-Backbone interact. energy: -0.275 local terms energy: -60.971253 where: bonds (distance) C4'-P energy: -12.833 bonds (distance) P-C4' energy: -12.207 flat angles C4'-P-C4' energy: -16.486 flat angles P-C4'-P energy: -8.569 tors. eta vs tors. theta energy: -10.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -165.977863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.977863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.977863 (E_RNA) where: Base-Base interactions energy: -106.922 where: short stacking energy: -48.718 Base-Backbone interact. energy: -0.233 local terms energy: -58.823046 where: bonds (distance) C4'-P energy: -15.169 bonds (distance) P-C4' energy: -13.338 flat angles C4'-P-C4' energy: -11.785 flat angles P-C4'-P energy: -8.268 tors. eta vs tors. theta energy: -10.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -91.609615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.609615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.609615 (E_RNA) where: Base-Base interactions energy: -52.776 where: short stacking energy: -24.939 Base-Backbone interact. energy: -0.218 local terms energy: -38.616199 where: bonds (distance) C4'-P energy: -10.279 bonds (distance) P-C4' energy: -13.297 flat angles C4'-P-C4' energy: -7.946 flat angles P-C4'-P energy: -8.539 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: 10, replica: 5 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -87.884934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.884934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.884934 (E_RNA) where: Base-Base interactions energy: -37.085 where: short stacking energy: -27.936 Base-Backbone interact. energy: -0.025 local terms energy: -50.775087 where: bonds (distance) C4'-P energy: -12.116 bonds (distance) P-C4' energy: -13.575 flat angles C4'-P-C4' energy: -12.942 flat angles P-C4'-P energy: -6.933 tors. eta vs tors. theta energy: -5.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -219.228714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.228714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.228714 (E_RNA) where: Base-Base interactions energy: -150.909 where: short stacking energy: -65.637 Base-Backbone interact. energy: -0.142 local terms energy: -68.177664 where: bonds (distance) C4'-P energy: -12.705 bonds (distance) P-C4' energy: -15.609 flat angles C4'-P-C4' energy: -14.276 flat angles P-C4'-P energy: -12.050 tors. eta vs tors. theta energy: -13.538 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: 4 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -205.559588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.559588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.559588 (E_RNA) where: Base-Base interactions energy: -139.967 where: short stacking energy: -58.847 Base-Backbone interact. energy: -0.436 local terms energy: -65.156458 where: bonds (distance) C4'-P energy: -15.209 bonds (distance) P-C4' energy: -13.103 flat angles C4'-P-C4' energy: -15.465 flat angles P-C4'-P energy: -9.000 tors. eta vs tors. theta energy: -12.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -178.544963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.544963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.544963 (E_RNA) where: Base-Base interactions energy: -121.790 where: short stacking energy: -45.854 Base-Backbone interact. energy: -0.128 local terms energy: -56.627436 where: bonds (distance) C4'-P energy: -11.914 bonds (distance) P-C4' energy: -13.864 flat angles C4'-P-C4' energy: -10.137 flat angles P-C4'-P energy: -12.249 tors. eta vs tors. theta energy: -8.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -187.044213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.044213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.044213 (E_RNA) where: Base-Base interactions energy: -123.089 where: short stacking energy: -42.751 Base-Backbone interact. energy: -0.192 local terms energy: -63.762952 where: bonds (distance) C4'-P energy: -14.101 bonds (distance) P-C4' energy: -15.849 flat angles C4'-P-C4' energy: -12.640 flat angles P-C4'-P energy: -9.181 tors. eta vs tors. theta energy: -11.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -188.583272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.583272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.583272 (E_RNA) where: Base-Base interactions energy: -121.163 where: short stacking energy: -53.051 Base-Backbone interact. energy: 0.335 local terms energy: -67.755355 where: bonds (distance) C4'-P energy: -12.804 bonds (distance) P-C4' energy: -15.395 flat angles C4'-P-C4' energy: -15.875 flat angles P-C4'-P energy: -9.484 tors. eta vs tors. theta energy: -14.198 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: 6, replica: 3 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -168.486027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.486027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.486027 (E_RNA) where: Base-Base interactions energy: -111.039 where: short stacking energy: -49.290 Base-Backbone interact. energy: -0.090 local terms energy: -57.357135 where: bonds (distance) C4'-P energy: -14.014 bonds (distance) P-C4' energy: -7.473 flat angles C4'-P-C4' energy: -15.208 flat angles P-C4'-P energy: -7.347 tors. eta vs tors. theta energy: -13.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -167.326310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.326310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.326310 (E_RNA) where: Base-Base interactions energy: -116.672 where: short stacking energy: -54.971 Base-Backbone interact. energy: -0.114 local terms energy: -50.540883 where: bonds (distance) C4'-P energy: -10.291 bonds (distance) P-C4' energy: -13.624 flat angles C4'-P-C4' energy: -9.722 flat angles P-C4'-P energy: -6.737 tors. eta vs tors. theta energy: -10.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -162.604906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.604906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.604906 (E_RNA) where: Base-Base interactions energy: -95.242 where: short stacking energy: -42.518 Base-Backbone interact. energy: -0.021 local terms energy: -67.342213 where: bonds (distance) C4'-P energy: -13.968 bonds (distance) P-C4' energy: -13.827 flat angles C4'-P-C4' energy: -15.932 flat angles P-C4'-P energy: -7.671 tors. eta vs tors. theta energy: -15.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -84.379609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.379609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.379609 (E_RNA) where: Base-Base interactions energy: -41.703 where: short stacking energy: -27.923 Base-Backbone interact. energy: -0.777 local terms energy: -41.899733 where: bonds (distance) C4'-P energy: -8.303 bonds (distance) P-C4' energy: -17.330 flat angles C4'-P-C4' energy: -12.156 flat angles P-C4'-P energy: -4.000 tors. eta vs tors. theta energy: -0.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -80.357295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.357295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.357295 (E_RNA) where: Base-Base interactions energy: -33.834 where: short stacking energy: -33.834 Base-Backbone interact. energy: -0.010 local terms energy: -46.514108 where: bonds (distance) C4'-P energy: -12.526 bonds (distance) P-C4' energy: -13.768 flat angles C4'-P-C4' energy: -9.980 flat angles P-C4'-P energy: -9.288 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: 6 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -219.241753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.241753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.241753 (E_RNA) where: Base-Base interactions energy: -149.330 where: short stacking energy: -61.944 Base-Backbone interact. energy: -0.550 local terms energy: -69.361228 where: bonds (distance) C4'-P energy: -11.620 bonds (distance) P-C4' energy: -15.459 flat angles C4'-P-C4' energy: -15.154 flat angles P-C4'-P energy: -12.052 tors. eta vs tors. theta energy: -15.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -203.135216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.135216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.135216 (E_RNA) where: Base-Base interactions energy: -131.782 where: short stacking energy: -55.446 Base-Backbone interact. energy: -0.133 local terms energy: -71.220372 where: bonds (distance) C4'-P energy: -11.770 bonds (distance) P-C4' energy: -16.517 flat angles C4'-P-C4' energy: -15.557 flat angles P-C4'-P energy: -11.185 tors. eta vs tors. theta energy: -16.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -209.205878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.205878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.205878 (E_RNA) where: Base-Base interactions energy: -138.078 where: short stacking energy: -60.577 Base-Backbone interact. energy: -0.241 local terms energy: -70.886730 where: bonds (distance) C4'-P energy: -13.595 bonds (distance) P-C4' energy: -15.336 flat angles C4'-P-C4' energy: -14.260 flat angles P-C4'-P energy: -9.598 tors. eta vs tors. theta energy: -18.097 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: 4, replica: 8 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -185.423934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.423934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.423934 (E_RNA) where: Base-Base interactions energy: -113.923 where: short stacking energy: -55.753 Base-Backbone interact. energy: -0.020 local terms energy: -71.480555 where: bonds (distance) C4'-P energy: -16.435 bonds (distance) P-C4' energy: -8.217 flat angles C4'-P-C4' energy: -16.447 flat angles P-C4'-P energy: -11.645 tors. eta vs tors. theta energy: -18.737 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: 430 Temperature: 1.100000 Total energy: -163.385120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.385120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.385120 (E_RNA) where: Base-Base interactions energy: -110.494 where: short stacking energy: -41.732 Base-Backbone interact. energy: -0.487 local terms energy: -52.403849 where: bonds (distance) C4'-P energy: -12.478 bonds (distance) P-C4' energy: -13.291 flat angles C4'-P-C4' energy: -11.985 flat angles P-C4'-P energy: -9.742 tors. eta vs tors. theta energy: -4.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -177.083669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.083669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.083669 (E_RNA) where: Base-Base interactions energy: -120.793 where: short stacking energy: -47.532 Base-Backbone interact. energy: -0.420 local terms energy: -55.870262 where: bonds (distance) C4'-P energy: -11.608 bonds (distance) P-C4' energy: -14.337 flat angles C4'-P-C4' energy: -9.878 flat angles P-C4'-P energy: -12.005 tors. eta vs tors. theta energy: -8.043 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: 10 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -182.877807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.877807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.877807 (E_RNA) where: Base-Base interactions energy: -117.278 where: short stacking energy: -53.815 Base-Backbone interact. energy: -0.103 local terms energy: -65.496376 where: bonds (distance) C4'-P energy: -15.450 bonds (distance) P-C4' energy: -16.051 flat angles C4'-P-C4' energy: -13.816 flat angles P-C4'-P energy: -8.371 tors. eta vs tors. theta energy: -11.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -161.981547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.981547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.981547 (E_RNA) where: Base-Base interactions energy: -111.783 where: short stacking energy: -48.842 Base-Backbone interact. energy: -0.201 local terms energy: -49.997718 where: bonds (distance) C4'-P energy: -11.926 bonds (distance) P-C4' energy: -13.539 flat angles C4'-P-C4' energy: -14.579 flat angles P-C4'-P energy: -1.143 tors. eta vs tors. theta energy: -8.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -82.924850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.924850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.924850 (E_RNA) where: Base-Base interactions energy: -32.027 where: short stacking energy: -32.027 Base-Backbone interact. energy: -0.266 local terms energy: -50.631529 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -13.228 flat angles C4'-P-C4' energy: -11.228 flat angles P-C4'-P energy: -9.256 tors. eta vs tors. theta energy: -9.386 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: 5 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -82.675875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.675875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.675875 (E_RNA) where: Base-Base interactions energy: -30.097 where: short stacking energy: -28.809 Base-Backbone interact. energy: -1.264 local terms energy: -51.315303 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -14.610 flat angles C4'-P-C4' energy: -15.244 flat angles P-C4'-P energy: -8.006 tors. eta vs tors. theta energy: -4.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -219.389829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.389829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.389829 (E_RNA) where: Base-Base interactions energy: -151.362 where: short stacking energy: -61.216 Base-Backbone interact. energy: -0.183 local terms energy: -67.844070 where: bonds (distance) C4'-P energy: -14.064 bonds (distance) P-C4' energy: -14.620 flat angles C4'-P-C4' energy: -14.833 flat angles P-C4'-P energy: -9.606 tors. eta vs tors. theta energy: -14.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -203.299647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.299647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.299647 (E_RNA) where: Base-Base interactions energy: -132.743 where: short stacking energy: -55.683 Base-Backbone interact. energy: -0.106 local terms energy: -70.451192 where: bonds (distance) C4'-P energy: -12.894 bonds (distance) P-C4' energy: -15.810 flat angles C4'-P-C4' energy: -13.608 flat angles P-C4'-P energy: -12.700 tors. eta vs tors. theta energy: -15.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -198.053989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.053989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.053989 (E_RNA) where: Base-Base interactions energy: -134.760 where: short stacking energy: -55.784 Base-Backbone interact. energy: -0.297 local terms energy: -62.997085 where: bonds (distance) C4'-P energy: -14.915 bonds (distance) P-C4' energy: -11.877 flat angles C4'-P-C4' energy: -13.180 flat angles P-C4'-P energy: -13.054 tors. eta vs tors. theta energy: -9.972 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: 7 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -193.216996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.216996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.216996 (E_RNA) where: Base-Base interactions energy: -131.359 where: short stacking energy: -63.294 Base-Backbone interact. energy: -0.406 local terms energy: -61.451501 where: bonds (distance) C4'-P energy: -12.229 bonds (distance) P-C4' energy: -14.986 flat angles C4'-P-C4' energy: -15.552 flat angles P-C4'-P energy: -5.298 tors. eta vs tors. theta energy: -13.387 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: 8 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -185.571480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.571480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.571480 (E_RNA) where: Base-Base interactions energy: -121.657 where: short stacking energy: -60.431 Base-Backbone interact. energy: -0.388 local terms energy: -63.526824 where: bonds (distance) C4'-P energy: -11.678 bonds (distance) P-C4' energy: -14.159 flat angles C4'-P-C4' energy: -17.197 flat angles P-C4'-P energy: -4.851 tors. eta vs tors. theta energy: -15.642 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: 10 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -174.769942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.769942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.769942 (E_RNA) where: Base-Base interactions energy: -114.099 where: short stacking energy: -49.680 Base-Backbone interact. energy: -0.795 local terms energy: -59.876266 where: bonds (distance) C4'-P energy: -12.042 bonds (distance) P-C4' energy: -13.906 flat angles C4'-P-C4' energy: -11.686 flat angles P-C4'-P energy: -9.030 tors. eta vs tors. theta energy: -13.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -174.092504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.092504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.092504 (E_RNA) where: Base-Base interactions energy: -114.802 where: short stacking energy: -50.255 Base-Backbone interact. energy: -0.074 local terms energy: -59.216672 where: bonds (distance) C4'-P energy: -10.400 bonds (distance) P-C4' energy: -15.374 flat angles C4'-P-C4' energy: -10.188 flat angles P-C4'-P energy: -10.308 tors. eta vs tors. theta energy: -12.948 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: 8, replica: 9 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -171.413294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.413294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.413294 (E_RNA) where: Base-Base interactions energy: -110.883 where: short stacking energy: -50.586 Base-Backbone interact. energy: -1.028 local terms energy: -59.501932 where: bonds (distance) C4'-P energy: -13.083 bonds (distance) P-C4' energy: -12.690 flat angles C4'-P-C4' energy: -10.653 flat angles P-C4'-P energy: -7.479 tors. eta vs tors. theta energy: -15.597 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: 9, replica: 2 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -86.054308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.054308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.054308 (E_RNA) where: Base-Base interactions energy: -31.169 where: short stacking energy: -31.169 Base-Backbone interact. energy: -0.074 local terms energy: -54.811404 where: bonds (distance) C4'-P energy: -9.873 bonds (distance) P-C4' energy: -11.736 flat angles C4'-P-C4' energy: -12.795 flat angles P-C4'-P energy: -9.809 tors. eta vs tors. theta energy: -10.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -78.736175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.736175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.736175 (E_RNA) where: Base-Base interactions energy: -25.509 where: short stacking energy: -25.509 Base-Backbone interact. energy: -0.138 local terms energy: -53.088818 where: bonds (distance) C4'-P energy: -12.743 bonds (distance) P-C4' energy: -16.805 flat angles C4'-P-C4' energy: -10.891 flat angles P-C4'-P energy: -10.572 tors. eta vs tors. theta energy: -2.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -218.393769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.393769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.393769 (E_RNA) where: Base-Base interactions energy: -149.890 where: short stacking energy: -56.517 Base-Backbone interact. energy: -0.323 local terms energy: -68.180873 where: bonds (distance) C4'-P energy: -13.855 bonds (distance) P-C4' energy: -15.752 flat angles C4'-P-C4' energy: -13.051 flat angles P-C4'-P energy: -12.323 tors. eta vs tors. theta energy: -13.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -204.315224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.315224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.315224 (E_RNA) where: Base-Base interactions energy: -145.116 where: short stacking energy: -58.715 Base-Backbone interact. energy: -0.084 local terms energy: -59.115017 where: bonds (distance) C4'-P energy: -13.181 bonds (distance) P-C4' energy: -9.414 flat angles C4'-P-C4' energy: -16.491 flat angles P-C4'-P energy: -5.236 tors. eta vs tors. theta energy: -14.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -207.872592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.872592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.872592 (E_RNA) where: Base-Base interactions energy: -147.715 where: short stacking energy: -68.398 Base-Backbone interact. energy: -0.006 local terms energy: -60.152269 where: bonds (distance) C4'-P energy: -10.177 bonds (distance) P-C4' energy: -17.013 flat angles C4'-P-C4' energy: -12.115 flat angles P-C4'-P energy: -4.749 tors. eta vs tors. theta energy: -16.099 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: 4 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -193.915368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.915368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.915368 (E_RNA) where: Base-Base interactions energy: -134.426 where: short stacking energy: -57.170 Base-Backbone interact. energy: -0.102 local terms energy: -59.387104 where: bonds (distance) C4'-P energy: -11.594 bonds (distance) P-C4' energy: -11.694 flat angles C4'-P-C4' energy: -11.899 flat angles P-C4'-P energy: -9.439 tors. eta vs tors. theta energy: -14.762 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: 10 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -177.045398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.045398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.045398 (E_RNA) where: Base-Base interactions energy: -119.636 where: short stacking energy: -51.019 Base-Backbone interact. energy: -0.097 local terms energy: -57.312937 where: bonds (distance) C4'-P energy: -11.368 bonds (distance) P-C4' energy: -12.023 flat angles C4'-P-C4' energy: -14.733 flat angles P-C4'-P energy: -9.904 tors. eta vs tors. theta energy: -9.285 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: 8 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -176.694281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.694281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.694281 (E_RNA) where: Base-Base interactions energy: -110.321 where: short stacking energy: -54.225 Base-Backbone interact. energy: -0.724 local terms energy: -65.649368 where: bonds (distance) C4'-P energy: -13.086 bonds (distance) P-C4' energy: -17.774 flat angles C4'-P-C4' energy: -12.727 flat angles P-C4'-P energy: -7.083 tors. eta vs tors. theta energy: -14.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -170.659166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.659166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.659166 (E_RNA) where: Base-Base interactions energy: -115.697 where: short stacking energy: -46.684 Base-Backbone interact. energy: -0.004 local terms energy: -54.958560 where: bonds (distance) C4'-P energy: -10.391 bonds (distance) P-C4' energy: -12.021 flat angles C4'-P-C4' energy: -14.172 flat angles P-C4'-P energy: -5.106 tors. eta vs tors. theta energy: -13.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -155.340545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.340545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.340545 (E_RNA) where: Base-Base interactions energy: -106.371 where: short stacking energy: -43.853 Base-Backbone interact. energy: -0.170 local terms energy: -48.798952 where: bonds (distance) C4'-P energy: -10.400 bonds (distance) P-C4' energy: -10.367 flat angles C4'-P-C4' energy: -15.955 flat angles P-C4'-P energy: -2.509 tors. eta vs tors. theta energy: -9.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -77.669521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.669521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.669521 (E_RNA) where: Base-Base interactions energy: -22.185 where: short stacking energy: -22.185 Base-Backbone interact. energy: -0.087 local terms energy: -55.397187 where: bonds (distance) C4'-P energy: -15.771 bonds (distance) P-C4' energy: -14.505 flat angles C4'-P-C4' energy: -7.382 flat angles P-C4'-P energy: -8.187 tors. eta vs tors. theta energy: -9.551 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: 432 Temperature: 1.350000 Total energy: -81.820548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.820548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.820548 (E_RNA) where: Base-Base interactions energy: -38.156 where: short stacking energy: -35.671 Base-Backbone interact. energy: -0.166 local terms energy: -43.498573 where: bonds (distance) C4'-P energy: -12.747 bonds (distance) P-C4' energy: -11.933 flat angles C4'-P-C4' energy: -6.165 flat angles P-C4'-P energy: -8.064 tors. eta vs tors. theta energy: -4.589 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: 1, replica: 6 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -223.871593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.871593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.871593 (E_RNA) where: Base-Base interactions energy: -157.316 where: short stacking energy: -59.608 Base-Backbone interact. energy: -0.554 local terms energy: -66.001243 where: bonds (distance) C4'-P energy: -12.656 bonds (distance) P-C4' energy: -15.352 flat angles C4'-P-C4' energy: -14.126 flat angles P-C4'-P energy: -10.215 tors. eta vs tors. theta energy: -13.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -228.249635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -228.249635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -228.249635 (E_RNA) where: Base-Base interactions energy: -157.208 where: short stacking energy: -66.753 Base-Backbone interact. energy: -0.037 local terms energy: -71.004503 where: bonds (distance) C4'-P energy: -14.600 bonds (distance) P-C4' energy: -14.054 flat angles C4'-P-C4' energy: -15.703 flat angles P-C4'-P energy: -9.071 tors. eta vs tors. theta energy: -17.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -196.665545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.665545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.665545 (E_RNA) where: Base-Base interactions energy: -132.077 where: short stacking energy: -61.264 Base-Backbone interact. energy: -0.029 local terms energy: -64.559214 where: bonds (distance) C4'-P energy: -16.082 bonds (distance) P-C4' energy: -15.989 flat angles C4'-P-C4' energy: -11.587 flat angles P-C4'-P energy: -6.359 tors. eta vs tors. theta energy: -14.541 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: 4, replica: 4 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -182.344479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.344479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.344479 (E_RNA) where: Base-Base interactions energy: -127.599 where: short stacking energy: -46.292 Base-Backbone interact. energy: -0.225 local terms energy: -54.520579 where: bonds (distance) C4'-P energy: -9.158 bonds (distance) P-C4' energy: -13.511 flat angles C4'-P-C4' energy: -13.182 flat angles P-C4'-P energy: -9.887 tors. eta vs tors. theta energy: -8.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -179.372658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.372658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.372658 (E_RNA) where: Base-Base interactions energy: -116.948 where: short stacking energy: -47.327 Base-Backbone interact. energy: -0.421 local terms energy: -62.003891 where: bonds (distance) C4'-P energy: -13.206 bonds (distance) P-C4' energy: -15.132 flat angles C4'-P-C4' energy: -14.517 flat angles P-C4'-P energy: -8.028 tors. eta vs tors. theta energy: -11.121 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: 3 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -166.054887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.054887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.054887 (E_RNA) where: Base-Base interactions energy: -100.702 where: short stacking energy: -46.558 Base-Backbone interact. energy: -0.196 local terms energy: -65.157094 where: bonds (distance) C4'-P energy: -13.301 bonds (distance) P-C4' energy: -16.209 flat angles C4'-P-C4' energy: -15.288 flat angles P-C4'-P energy: -11.165 tors. eta vs tors. theta energy: -9.194 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: 433 Temperature: 1.200000 Total energy: -178.062400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.062400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.062400 (E_RNA) where: Base-Base interactions energy: -117.611 where: short stacking energy: -49.877 Base-Backbone interact. energy: -0.589 local terms energy: -59.863209 where: bonds (distance) C4'-P energy: -9.264 bonds (distance) P-C4' energy: -15.827 flat angles C4'-P-C4' energy: -12.507 flat angles P-C4'-P energy: -8.183 tors. eta vs tors. theta energy: -14.082 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: 9 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -139.587977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.587977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.587977 (E_RNA) where: Base-Base interactions energy: -95.050 where: short stacking energy: -46.826 Base-Backbone interact. energy: -0.021 local terms energy: -44.517099 where: bonds (distance) C4'-P energy: -6.682 bonds (distance) P-C4' energy: -10.621 flat angles C4'-P-C4' energy: -10.907 flat angles P-C4'-P energy: -9.482 tors. eta vs tors. theta energy: -6.825 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: 9, replica: 5 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -85.321805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.321805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.321805 (E_RNA) where: Base-Base interactions energy: -37.377 where: short stacking energy: -37.377 Base-Backbone interact. energy: -0.005 local terms energy: -47.939985 where: bonds (distance) C4'-P energy: -13.432 bonds (distance) P-C4' energy: -12.325 flat angles C4'-P-C4' energy: -13.189 flat angles P-C4'-P energy: -4.480 tors. eta vs tors. theta energy: -4.514 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: 10, replica: 2 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -84.597585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.597585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.597585 (E_RNA) where: Base-Base interactions energy: -28.966 where: short stacking energy: -28.966 Base-Backbone interact. energy: -0.056 local terms energy: -55.576075 where: bonds (distance) C4'-P energy: -10.470 bonds (distance) P-C4' energy: -14.223 flat angles C4'-P-C4' energy: -15.597 flat angles P-C4'-P energy: -9.715 tors. eta vs tors. theta energy: -5.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -222.488194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.488194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.488194 (E_RNA) where: Base-Base interactions energy: -158.168 where: short stacking energy: -61.924 Base-Backbone interact. energy: -0.216 local terms energy: -64.104331 where: bonds (distance) C4'-P energy: -15.147 bonds (distance) P-C4' energy: -14.410 flat angles C4'-P-C4' energy: -10.954 flat angles P-C4'-P energy: -8.363 tors. eta vs tors. theta energy: -15.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -214.927198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.927198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.927198 (E_RNA) where: Base-Base interactions energy: -145.258 where: short stacking energy: -64.804 Base-Backbone interact. energy: -0.006 local terms energy: -69.663013 where: bonds (distance) C4'-P energy: -12.274 bonds (distance) P-C4' energy: -14.154 flat angles C4'-P-C4' energy: -15.861 flat angles P-C4'-P energy: -9.784 tors. eta vs tors. theta energy: -17.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -204.998456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.998456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.998456 (E_RNA) where: Base-Base interactions energy: -137.815 where: short stacking energy: -60.494 Base-Backbone interact. energy: -0.006 local terms energy: -67.177370 where: bonds (distance) C4'-P energy: -13.726 bonds (distance) P-C4' energy: -15.820 flat angles C4'-P-C4' energy: -9.881 flat angles P-C4'-P energy: -8.285 tors. eta vs tors. theta energy: -19.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -184.726524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.726524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.726524 (E_RNA) where: Base-Base interactions energy: -125.420 where: short stacking energy: -57.836 Base-Backbone interact. energy: -0.787 local terms energy: -58.519056 where: bonds (distance) C4'-P energy: -10.706 bonds (distance) P-C4' energy: -9.571 flat angles C4'-P-C4' energy: -15.164 flat angles P-C4'-P energy: -5.119 tors. eta vs tors. theta energy: -17.960 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: 3 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -188.938962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.938962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.938962 (E_RNA) where: Base-Base interactions energy: -121.257 where: short stacking energy: -49.695 Base-Backbone interact. energy: -0.115 local terms energy: -67.567363 where: bonds (distance) C4'-P energy: -12.878 bonds (distance) P-C4' energy: -15.629 flat angles C4'-P-C4' energy: -16.511 flat angles P-C4'-P energy: -9.996 tors. eta vs tors. theta energy: -12.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -168.024152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.024152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.024152 (E_RNA) where: Base-Base interactions energy: -121.943 where: short stacking energy: -47.889 Base-Backbone interact. energy: -0.138 local terms energy: -45.942782 where: bonds (distance) C4'-P energy: -12.755 bonds (distance) P-C4' energy: -10.254 flat angles C4'-P-C4' energy: -12.791 flat angles P-C4'-P energy: -1.292 tors. eta vs tors. theta energy: -8.850 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: 7, replica: 8 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -174.891468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.891468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.891468 (E_RNA) where: Base-Base interactions energy: -111.987 where: short stacking energy: -46.724 Base-Backbone interact. energy: -0.277 local terms energy: -62.627388 where: bonds (distance) C4'-P energy: -10.071 bonds (distance) P-C4' energy: -15.740 flat angles C4'-P-C4' energy: -14.731 flat angles P-C4'-P energy: -10.426 tors. eta vs tors. theta energy: -11.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -178.450340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.450340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.450340 (E_RNA) where: Base-Base interactions energy: -124.841 where: short stacking energy: -54.069 Base-Backbone interact. energy: -0.010 local terms energy: -53.599099 where: bonds (distance) C4'-P energy: -5.781 bonds (distance) P-C4' energy: -13.814 flat angles C4'-P-C4' energy: -14.688 flat angles P-C4'-P energy: -7.544 tors. eta vs tors. theta energy: -11.771 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: 9, replica: 2 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -79.896793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.896793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.896793 (E_RNA) where: Base-Base interactions energy: -35.888 where: short stacking energy: -35.888 Base-Backbone interact. energy: -0.054 local terms energy: -43.954388 where: bonds (distance) C4'-P energy: -7.576 bonds (distance) P-C4' energy: -11.121 flat angles C4'-P-C4' energy: -9.154 flat angles P-C4'-P energy: -5.602 tors. eta vs tors. theta energy: -10.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -98.007249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.007249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.007249 (E_RNA) where: Base-Base interactions energy: -57.867 where: short stacking energy: -22.242 Base-Backbone interact. energy: 3.161 local terms energy: -43.301282 where: bonds (distance) C4'-P energy: -10.896 bonds (distance) P-C4' energy: -16.178 flat angles C4'-P-C4' energy: -8.482 flat angles P-C4'-P energy: -8.514 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: 6 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -216.928617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.928617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.928617 (E_RNA) where: Base-Base interactions energy: -150.137 where: short stacking energy: -54.566 Base-Backbone interact. energy: -0.726 local terms energy: -66.066038 where: bonds (distance) C4'-P energy: -13.694 bonds (distance) P-C4' energy: -14.690 flat angles C4'-P-C4' energy: -10.045 flat angles P-C4'-P energy: -11.657 tors. eta vs tors. theta energy: -15.980 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: 7 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -199.480908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.480908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.480908 (E_RNA) where: Base-Base interactions energy: -125.851 where: short stacking energy: -56.109 Base-Backbone interact. energy: -0.300 local terms energy: -73.329733 where: bonds (distance) C4'-P energy: -16.269 bonds (distance) P-C4' energy: -15.770 flat angles C4'-P-C4' energy: -15.821 flat angles P-C4'-P energy: -9.516 tors. eta vs tors. theta energy: -15.953 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: 1 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -204.059580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.059580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.059580 (E_RNA) where: Base-Base interactions energy: -135.353 where: short stacking energy: -55.597 Base-Backbone interact. energy: -0.046 local terms energy: -68.660192 where: bonds (distance) C4'-P energy: -17.333 bonds (distance) P-C4' energy: -13.712 flat angles C4'-P-C4' energy: -14.057 flat angles P-C4'-P energy: -8.030 tors. eta vs tors. theta energy: -15.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -193.476479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.476479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.476479 (E_RNA) where: Base-Base interactions energy: -124.982 where: short stacking energy: -55.826 Base-Backbone interact. energy: -0.278 local terms energy: -68.217315 where: bonds (distance) C4'-P energy: -12.538 bonds (distance) P-C4' energy: -15.509 flat angles C4'-P-C4' energy: -12.215 flat angles P-C4'-P energy: -13.110 tors. eta vs tors. theta energy: -14.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -185.324305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.324305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.324305 (E_RNA) where: Base-Base interactions energy: -121.419 where: short stacking energy: -48.478 Base-Backbone interact. energy: -0.137 local terms energy: -63.768159 where: bonds (distance) C4'-P energy: -15.110 bonds (distance) P-C4' energy: -14.074 flat angles C4'-P-C4' energy: -11.942 flat angles P-C4'-P energy: -11.607 tors. eta vs tors. theta energy: -11.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -184.350477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.350477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.350477 (E_RNA) where: Base-Base interactions energy: -118.790 where: short stacking energy: -48.698 Base-Backbone interact. energy: -0.387 local terms energy: -65.173651 where: bonds (distance) C4'-P energy: -13.860 bonds (distance) P-C4' energy: -17.299 flat angles C4'-P-C4' energy: -10.892 flat angles P-C4'-P energy: -9.677 tors. eta vs tors. theta energy: -13.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -160.064771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.064771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.064771 (E_RNA) where: Base-Base interactions energy: -111.287 where: short stacking energy: -45.704 Base-Backbone interact. energy: 0.911 local terms energy: -49.688923 where: bonds (distance) C4'-P energy: -12.034 bonds (distance) P-C4' energy: -12.128 flat angles C4'-P-C4' energy: -13.007 flat angles P-C4'-P energy: -6.431 tors. eta vs tors. theta energy: -6.089 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: 8, replica: 9 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -168.695686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.695686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.695686 (E_RNA) where: Base-Base interactions energy: -116.563 where: short stacking energy: -44.931 Base-Backbone interact. energy: -0.127 local terms energy: -52.005263 where: bonds (distance) C4'-P energy: -15.657 bonds (distance) P-C4' energy: -12.594 flat angles C4'-P-C4' energy: -8.088 flat angles P-C4'-P energy: -6.886 tors. eta vs tors. theta energy: -8.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -72.004554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.004554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.004554 (E_RNA) where: Base-Base interactions energy: -20.754 where: short stacking energy: -20.754 Base-Backbone interact. energy: -0.279 local terms energy: -50.971499 where: bonds (distance) C4'-P energy: -12.281 bonds (distance) P-C4' energy: -13.437 flat angles C4'-P-C4' energy: -10.646 flat angles P-C4'-P energy: -11.209 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: 10, replica: 5 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -84.546854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.546854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.546854 (E_RNA) where: Base-Base interactions energy: -33.753 where: short stacking energy: -33.753 Base-Backbone interact. energy: -0.088 local terms energy: -50.705496 where: bonds (distance) C4'-P energy: -14.394 bonds (distance) P-C4' energy: -13.642 flat angles C4'-P-C4' energy: -11.684 flat angles P-C4'-P energy: -6.637 tors. eta vs tors. theta energy: -4.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -220.271243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.271243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.271243 (E_RNA) where: Base-Base interactions energy: -154.898 where: short stacking energy: -59.708 Base-Backbone interact. energy: -0.388 local terms energy: -64.985002 where: bonds (distance) C4'-P energy: -13.544 bonds (distance) P-C4' energy: -14.907 flat angles C4'-P-C4' energy: -11.798 flat angles P-C4'-P energy: -7.195 tors. eta vs tors. theta energy: -17.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -196.771575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.771575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.771575 (E_RNA) where: Base-Base interactions energy: -135.761 where: short stacking energy: -60.241 Base-Backbone interact. energy: -0.003 local terms energy: -61.007877 where: bonds (distance) C4'-P energy: -15.043 bonds (distance) P-C4' energy: -16.181 flat angles C4'-P-C4' energy: -15.506 flat angles P-C4'-P energy: -0.721 tors. eta vs tors. theta energy: -13.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -202.710925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.710925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.710925 (E_RNA) where: Base-Base interactions energy: -137.712 where: short stacking energy: -55.537 Base-Backbone interact. energy: -0.612 local terms energy: -64.387010 where: bonds (distance) C4'-P energy: -11.116 bonds (distance) P-C4' energy: -12.138 flat angles C4'-P-C4' energy: -13.675 flat angles P-C4'-P energy: -10.221 tors. eta vs tors. theta energy: -17.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -193.599745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.599745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.599745 (E_RNA) where: Base-Base interactions energy: -130.062 where: short stacking energy: -62.879 Base-Backbone interact. energy: -0.113 local terms energy: -63.424999 where: bonds (distance) C4'-P energy: -7.266 bonds (distance) P-C4' energy: -16.682 flat angles C4'-P-C4' energy: -13.685 flat angles P-C4'-P energy: -12.928 tors. eta vs tors. theta energy: -12.864 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: 5, replica: 3 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -194.635854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.635854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.635854 (E_RNA) where: Base-Base interactions energy: -128.891 where: short stacking energy: -55.174 Base-Backbone interact. energy: -0.422 local terms energy: -65.322615 where: bonds (distance) C4'-P energy: -11.733 bonds (distance) P-C4' energy: -15.846 flat angles C4'-P-C4' energy: -14.143 flat angles P-C4'-P energy: -9.604 tors. eta vs tors. theta energy: -13.997 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: 8 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -181.101203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.101203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.101203 (E_RNA) where: Base-Base interactions energy: -125.978 where: short stacking energy: -50.605 Base-Backbone interact. energy: -0.008 local terms energy: -55.114507 where: bonds (distance) C4'-P energy: -11.907 bonds (distance) P-C4' energy: -14.674 flat angles C4'-P-C4' energy: -13.025 flat angles P-C4'-P energy: -6.126 tors. eta vs tors. theta energy: -9.382 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: 10 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -148.123706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.123706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.123706 (E_RNA) where: Base-Base interactions energy: -97.702 where: short stacking energy: -47.991 Base-Backbone interact. energy: -0.179 local terms energy: -50.242721 where: bonds (distance) C4'-P energy: -12.783 bonds (distance) P-C4' energy: -12.261 flat angles C4'-P-C4' energy: -7.902 flat angles P-C4'-P energy: -8.702 tors. eta vs tors. theta energy: -8.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -161.671404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.671404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.671404 (E_RNA) where: Base-Base interactions energy: -104.155 where: short stacking energy: -47.383 Base-Backbone interact. energy: -0.182 local terms energy: -57.335150 where: bonds (distance) C4'-P energy: -9.947 bonds (distance) P-C4' energy: -15.793 flat angles C4'-P-C4' energy: -9.701 flat angles P-C4'-P energy: -10.903 tors. eta vs tors. theta energy: -10.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -77.136087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.136087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.136087 (E_RNA) where: Base-Base interactions energy: -28.426 where: short stacking energy: -28.426 Base-Backbone interact. energy: -0.180 local terms energy: -48.530187 where: bonds (distance) C4'-P energy: -12.078 bonds (distance) P-C4' energy: -12.671 flat angles C4'-P-C4' energy: -12.578 flat angles P-C4'-P energy: -8.332 tors. eta vs tors. theta energy: -2.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -78.954867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.954867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.954867 (E_RNA) where: Base-Base interactions energy: -45.818 where: short stacking energy: -19.419 Base-Backbone interact. energy: -0.121 local terms energy: -33.015759 where: bonds (distance) C4'-P energy: -14.286 bonds (distance) P-C4' energy: -9.353 flat angles C4'-P-C4' energy: -9.741 flat angles P-C4'-P energy: -4.392 tors. eta vs tors. theta energy: 4.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -223.742783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -223.742783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -223.742783 (E_RNA) where: Base-Base interactions energy: -157.578 where: short stacking energy: -60.493 Base-Backbone interact. energy: -0.632 local terms energy: -65.532566 where: bonds (distance) C4'-P energy: -12.205 bonds (distance) P-C4' energy: -14.987 flat angles C4'-P-C4' energy: -12.596 flat angles P-C4'-P energy: -10.755 tors. eta vs tors. theta energy: -14.989 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: 4 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -205.538756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.538756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.538756 (E_RNA) where: Base-Base interactions energy: -132.311 where: short stacking energy: -64.093 Base-Backbone interact. energy: -0.028 local terms energy: -73.200136 where: bonds (distance) C4'-P energy: -15.964 bonds (distance) P-C4' energy: -10.511 flat angles C4'-P-C4' energy: -15.717 flat angles P-C4'-P energy: -12.169 tors. eta vs tors. theta energy: -18.840 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: 7 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -195.586803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.586803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.586803 (E_RNA) where: Base-Base interactions energy: -127.047 where: short stacking energy: -62.296 Base-Backbone interact. energy: -0.066 local terms energy: -68.473847 where: bonds (distance) C4'-P energy: -13.018 bonds (distance) P-C4' energy: -14.061 flat angles C4'-P-C4' energy: -17.079 flat angles P-C4'-P energy: -7.686 tors. eta vs tors. theta energy: -16.629 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: 1 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -185.853496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.853496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.853496 (E_RNA) where: Base-Base interactions energy: -121.184 where: short stacking energy: -50.578 Base-Backbone interact. energy: -0.042 local terms energy: -64.627259 where: bonds (distance) C4'-P energy: -15.102 bonds (distance) P-C4' energy: -17.112 flat angles C4'-P-C4' energy: -17.090 flat angles P-C4'-P energy: -4.886 tors. eta vs tors. theta energy: -10.437 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: 437 Temperature: 1.100000 Total energy: -197.641545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.641545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.641545 (E_RNA) where: Base-Base interactions energy: -131.002 where: short stacking energy: -58.783 Base-Backbone interact. energy: -0.147 local terms energy: -66.493043 where: bonds (distance) C4'-P energy: -15.445 bonds (distance) P-C4' energy: -10.656 flat angles C4'-P-C4' energy: -13.436 flat angles P-C4'-P energy: -7.085 tors. eta vs tors. theta energy: -19.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -180.590322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.590322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.590322 (E_RNA) where: Base-Base interactions energy: -124.751 where: short stacking energy: -50.235 Base-Backbone interact. energy: -0.230 local terms energy: -55.609563 where: bonds (distance) C4'-P energy: -8.605 bonds (distance) P-C4' energy: -10.940 flat angles C4'-P-C4' energy: -16.182 flat angles P-C4'-P energy: -10.703 tors. eta vs tors. theta energy: -9.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -160.663990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.663990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.663990 (E_RNA) where: Base-Base interactions energy: -108.647 where: short stacking energy: -54.355 Base-Backbone interact. energy: -0.333 local terms energy: -51.684374 where: bonds (distance) C4'-P energy: -9.586 bonds (distance) P-C4' energy: -12.972 flat angles C4'-P-C4' energy: -12.719 flat angles P-C4'-P energy: -6.391 tors. eta vs tors. theta energy: -10.017 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: 5 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -107.760445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.760445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.760445 (E_RNA) where: Base-Base interactions energy: -57.822 where: short stacking energy: -35.594 Base-Backbone interact. energy: -0.024 local terms energy: -49.915011 where: bonds (distance) C4'-P energy: -13.959 bonds (distance) P-C4' energy: -13.803 flat angles C4'-P-C4' energy: -12.681 flat angles P-C4'-P energy: -4.688 tors. eta vs tors. theta energy: -4.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -116.648574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.648574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.648574 (E_RNA) where: Base-Base interactions energy: -65.395 where: short stacking energy: -35.426 Base-Backbone interact. energy: -0.104 local terms energy: -51.149708 where: bonds (distance) C4'-P energy: -11.077 bonds (distance) P-C4' energy: -14.194 flat angles C4'-P-C4' energy: -16.104 flat angles P-C4'-P energy: -7.671 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: 10, replica: 2 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -84.167070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.167070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.167070 (E_RNA) where: Base-Base interactions energy: -35.520 where: short stacking energy: -35.520 Base-Backbone interact. energy: 0.952 local terms energy: -49.599910 where: bonds (distance) C4'-P energy: -11.764 bonds (distance) P-C4' energy: -12.413 flat angles C4'-P-C4' energy: -10.926 flat angles P-C4'-P energy: -8.223 tors. eta vs tors. theta energy: -6.274 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: 1, replica: 4 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -212.268266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.268266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.268266 (E_RNA) where: Base-Base interactions energy: -138.593 where: short stacking energy: -65.640 Base-Backbone interact. energy: -0.005 local terms energy: -73.669537 where: bonds (distance) C4'-P energy: -12.228 bonds (distance) P-C4' energy: -16.783 flat angles C4'-P-C4' energy: -15.182 flat angles P-C4'-P energy: -10.489 tors. eta vs tors. theta energy: -18.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -215.687100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.687100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.687100 (E_RNA) where: Base-Base interactions energy: -149.109 where: short stacking energy: -59.573 Base-Backbone interact. energy: -0.355 local terms energy: -66.222992 where: bonds (distance) C4'-P energy: -12.066 bonds (distance) P-C4' energy: -15.579 flat angles C4'-P-C4' energy: -14.488 flat angles P-C4'-P energy: -10.346 tors. eta vs tors. theta energy: -13.744 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: 7 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -185.842785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.842785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.842785 (E_RNA) where: Base-Base interactions energy: -120.411 where: short stacking energy: -58.321 Base-Backbone interact. energy: 1.614 local terms energy: -67.046036 where: bonds (distance) C4'-P energy: -12.371 bonds (distance) P-C4' energy: -15.681 flat angles C4'-P-C4' energy: -12.188 flat angles P-C4'-P energy: -9.844 tors. eta vs tors. theta energy: -16.963 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: 1 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -196.486224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.486224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.486224 (E_RNA) where: Base-Base interactions energy: -140.201 where: short stacking energy: -54.230 Base-Backbone interact. energy: -0.004 local terms energy: -56.280874 where: bonds (distance) C4'-P energy: -11.683 bonds (distance) P-C4' energy: -13.965 flat angles C4'-P-C4' energy: -12.054 flat angles P-C4'-P energy: -3.887 tors. eta vs tors. theta energy: -14.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -182.438952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.438952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.438952 (E_RNA) where: Base-Base interactions energy: -113.745 where: short stacking energy: -46.906 Base-Backbone interact. energy: -0.146 local terms energy: -68.547979 where: bonds (distance) C4'-P energy: -13.906 bonds (distance) P-C4' energy: -13.877 flat angles C4'-P-C4' energy: -16.264 flat angles P-C4'-P energy: -10.385 tors. eta vs tors. theta energy: -14.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -186.298395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.298395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.298395 (E_RNA) where: Base-Base interactions energy: -125.546 where: short stacking energy: -55.748 Base-Backbone interact. energy: -0.238 local terms energy: -60.514166 where: bonds (distance) C4'-P energy: -9.537 bonds (distance) P-C4' energy: -13.127 flat angles C4'-P-C4' energy: -14.101 flat angles P-C4'-P energy: -8.571 tors. eta vs tors. theta energy: -15.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -170.606920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.606920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.606920 (E_RNA) where: Base-Base interactions energy: -108.635 where: short stacking energy: -53.147 Base-Backbone interact. energy: -0.435 local terms energy: -61.536668 where: bonds (distance) C4'-P energy: -8.595 bonds (distance) P-C4' energy: -11.875 flat angles C4'-P-C4' energy: -17.500 flat angles P-C4'-P energy: -13.713 tors. eta vs tors. theta energy: -9.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -88.265074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.265074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.265074 (E_RNA) where: Base-Base interactions energy: -29.811 where: short stacking energy: -27.647 Base-Backbone interact. energy: -0.108 local terms energy: -58.345881 where: bonds (distance) C4'-P energy: -13.256 bonds (distance) P-C4' energy: -15.827 flat angles C4'-P-C4' energy: -15.481 flat angles P-C4'-P energy: -9.216 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: 9, replica: 9 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -127.007914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.007914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.007914 (E_RNA) where: Base-Base interactions energy: -79.716 where: short stacking energy: -28.451 Base-Backbone interact. energy: -0.101 local terms energy: -47.191030 where: bonds (distance) C4'-P energy: -15.727 bonds (distance) P-C4' energy: -14.156 flat angles C4'-P-C4' energy: -12.589 flat angles P-C4'-P energy: -3.830 tors. eta vs tors. theta energy: -0.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -73.185730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.185730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.185730 (E_RNA) where: Base-Base interactions energy: -26.223 where: short stacking energy: -19.032 Base-Backbone interact. energy: -0.130 local terms energy: -46.832320 where: bonds (distance) C4'-P energy: -11.470 bonds (distance) P-C4' energy: -13.650 flat angles C4'-P-C4' energy: -13.886 flat angles P-C4'-P energy: -9.526 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: 1, replica: 4 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -212.213031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.213031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.213031 (E_RNA) where: Base-Base interactions energy: -144.430 where: short stacking energy: -70.572 Base-Backbone interact. energy: -0.130 local terms energy: -67.653209 where: bonds (distance) C4'-P energy: -10.415 bonds (distance) P-C4' energy: -17.297 flat angles C4'-P-C4' energy: -14.334 flat angles P-C4'-P energy: -6.253 tors. eta vs tors. theta energy: -19.354 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: 6 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -222.260133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.260133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.260133 (E_RNA) where: Base-Base interactions energy: -150.350 where: short stacking energy: -57.485 Base-Backbone interact. energy: -0.420 local terms energy: -71.490559 where: bonds (distance) C4'-P energy: -15.370 bonds (distance) P-C4' energy: -15.237 flat angles C4'-P-C4' energy: -14.834 flat angles P-C4'-P energy: -11.537 tors. eta vs tors. theta energy: -14.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -198.503312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.503312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.503312 (E_RNA) where: Base-Base interactions energy: -123.693 where: short stacking energy: -61.946 Base-Backbone interact. energy: -0.421 local terms energy: -74.389686 where: bonds (distance) C4'-P energy: -16.667 bonds (distance) P-C4' energy: -11.516 flat angles C4'-P-C4' energy: -17.148 flat angles P-C4'-P energy: -12.829 tors. eta vs tors. theta energy: -16.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -178.090629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.090629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.090629 (E_RNA) where: Base-Base interactions energy: -113.415 where: short stacking energy: -56.749 Base-Backbone interact. energy: -0.002 local terms energy: -64.672951 where: bonds (distance) C4'-P energy: -15.263 bonds (distance) P-C4' energy: -12.641 flat angles C4'-P-C4' energy: -15.900 flat angles P-C4'-P energy: -10.632 tors. eta vs tors. theta energy: -10.237 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: 3 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -197.347451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.347451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.347451 (E_RNA) where: Base-Base interactions energy: -135.655 where: short stacking energy: -59.387 Base-Backbone interact. energy: -0.030 local terms energy: -61.662690 where: bonds (distance) C4'-P energy: -10.291 bonds (distance) P-C4' energy: -15.424 flat angles C4'-P-C4' energy: -12.676 flat angles P-C4'-P energy: -7.586 tors. eta vs tors. theta energy: -15.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -164.588507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.588507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.588507 (E_RNA) where: Base-Base interactions energy: -112.292 where: short stacking energy: -54.853 Base-Backbone interact. energy: -0.070 local terms energy: -52.225945 where: bonds (distance) C4'-P energy: -13.461 bonds (distance) P-C4' energy: -11.362 flat angles C4'-P-C4' energy: -15.675 flat angles P-C4'-P energy: -3.062 tors. eta vs tors. theta energy: -8.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -176.777436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.777436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.777436 (E_RNA) where: Base-Base interactions energy: -124.218 where: short stacking energy: -53.364 Base-Backbone interact. energy: -0.003 local terms energy: -52.556173 where: bonds (distance) C4'-P energy: -10.518 bonds (distance) P-C4' energy: -6.455 flat angles C4'-P-C4' energy: -10.168 flat angles P-C4'-P energy: -10.753 tors. eta vs tors. theta energy: -14.661 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: 9 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -95.466569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.466569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.466569 (E_RNA) where: Base-Base interactions energy: -42.941 where: short stacking energy: -42.941 Base-Backbone interact. energy: 0.211 local terms energy: -52.736045 where: bonds (distance) C4'-P energy: -11.822 bonds (distance) P-C4' energy: -14.402 flat angles C4'-P-C4' energy: -12.281 flat angles P-C4'-P energy: -5.622 tors. eta vs tors. theta energy: -8.609 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: 5 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -96.531312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.531312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.531312 (E_RNA) where: Base-Base interactions energy: -40.629 where: short stacking energy: -40.629 Base-Backbone interact. energy: 2.502 local terms energy: -58.405162 where: bonds (distance) C4'-P energy: -10.568 bonds (distance) P-C4' energy: -16.854 flat angles C4'-P-C4' energy: -11.984 flat angles P-C4'-P energy: -9.432 tors. eta vs tors. theta energy: -9.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -79.372177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.372177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.372177 (E_RNA) where: Base-Base interactions energy: -31.915 where: short stacking energy: -31.915 Base-Backbone interact. energy: -0.080 local terms energy: -47.377333 where: bonds (distance) C4'-P energy: -12.435 bonds (distance) P-C4' energy: -13.452 flat angles C4'-P-C4' energy: -12.277 flat angles P-C4'-P energy: -4.925 tors. eta vs tors. theta energy: -4.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -219.545792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.545792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.545792 (E_RNA) where: Base-Base interactions energy: -152.788 where: short stacking energy: -64.241 Base-Backbone interact. energy: -0.906 local terms energy: -65.851704 where: bonds (distance) C4'-P energy: -12.377 bonds (distance) P-C4' energy: -15.858 flat angles C4'-P-C4' energy: -14.210 flat angles P-C4'-P energy: -12.327 tors. eta vs tors. theta energy: -11.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -202.134199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.134199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.134199 (E_RNA) where: Base-Base interactions energy: -131.868 where: short stacking energy: -57.422 Base-Backbone interact. energy: -0.001 local terms energy: -70.265227 where: bonds (distance) C4'-P energy: -14.921 bonds (distance) P-C4' energy: -11.657 flat angles C4'-P-C4' energy: -16.634 flat angles P-C4'-P energy: -9.274 tors. eta vs tors. theta energy: -17.779 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: 3, replica: 1 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -195.254455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.254455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.254455 (E_RNA) where: Base-Base interactions energy: -132.541 where: short stacking energy: -61.435 Base-Backbone interact. energy: -0.102 local terms energy: -62.611315 where: bonds (distance) C4'-P energy: -12.787 bonds (distance) P-C4' energy: -12.489 flat angles C4'-P-C4' energy: -14.712 flat angles P-C4'-P energy: -6.496 tors. eta vs tors. theta energy: -16.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -196.889204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.889204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.889204 (E_RNA) where: Base-Base interactions energy: -127.822 where: short stacking energy: -65.925 Base-Backbone interact. energy: -0.021 local terms energy: -69.046679 where: bonds (distance) C4'-P energy: -10.025 bonds (distance) P-C4' energy: -11.598 flat angles C4'-P-C4' energy: -16.760 flat angles P-C4'-P energy: -10.912 tors. eta vs tors. theta energy: -19.753 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: 3 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -191.806924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.806924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.806924 (E_RNA) where: Base-Base interactions energy: -128.325 where: short stacking energy: -53.443 Base-Backbone interact. energy: -0.571 local terms energy: -62.911097 where: bonds (distance) C4'-P energy: -14.224 bonds (distance) P-C4' energy: -15.246 flat angles C4'-P-C4' energy: -14.743 flat angles P-C4'-P energy: -6.859 tors. eta vs tors. theta energy: -11.839 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: 10 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -169.824496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.824496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.824496 (E_RNA) where: Base-Base interactions energy: -110.735 where: short stacking energy: -46.510 Base-Backbone interact. energy: -0.001 local terms energy: -59.088167 where: bonds (distance) C4'-P energy: -10.266 bonds (distance) P-C4' energy: -11.979 flat angles C4'-P-C4' energy: -15.979 flat angles P-C4'-P energy: -6.845 tors. eta vs tors. theta energy: -14.019 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: 8 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -162.740366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.740366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.740366 (E_RNA) where: Base-Base interactions energy: -123.693 where: short stacking energy: -48.132 Base-Backbone interact. energy: 2.175 local terms energy: -41.222707 where: bonds (distance) C4'-P energy: 0.289 bonds (distance) P-C4' energy: -15.070 flat angles C4'-P-C4' energy: -15.174 flat angles P-C4'-P energy: -4.003 tors. eta vs tors. theta energy: -7.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -91.996895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.996895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.996895 (E_RNA) where: Base-Base interactions energy: -41.121 where: short stacking energy: -41.121 Base-Backbone interact. energy: 0.085 local terms energy: -50.961233 where: bonds (distance) C4'-P energy: -11.481 bonds (distance) P-C4' energy: -16.647 flat angles C4'-P-C4' energy: -8.946 flat angles P-C4'-P energy: -6.829 tors. eta vs tors. theta energy: -7.059 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: 2 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -76.230310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.230310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.230310 (E_RNA) where: Base-Base interactions energy: -34.427 where: short stacking energy: -26.000 Base-Backbone interact. energy: -0.084 local terms energy: -41.718936 where: bonds (distance) C4'-P energy: -12.203 bonds (distance) P-C4' energy: -13.145 flat angles C4'-P-C4' energy: -8.442 flat angles P-C4'-P energy: -1.471 tors. eta vs tors. theta energy: -6.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -81.628111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.628111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.628111 (E_RNA) where: Base-Base interactions energy: -40.539 where: short stacking energy: -18.571 Base-Backbone interact. energy: -0.379 local terms energy: -40.709596 where: bonds (distance) C4'-P energy: -14.180 bonds (distance) P-C4' energy: -10.063 flat angles C4'-P-C4' energy: -11.760 flat angles P-C4'-P energy: -7.058 tors. eta vs tors. theta energy: 2.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -217.269791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.269791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.269791 (E_RNA) where: Base-Base interactions energy: -156.484 where: short stacking energy: -50.638 Base-Backbone interact. energy: -0.626 local terms energy: -60.159494 where: bonds (distance) C4'-P energy: -10.647 bonds (distance) P-C4' energy: -15.068 flat angles C4'-P-C4' energy: -13.952 flat angles P-C4'-P energy: -10.265 tors. eta vs tors. theta energy: -10.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -205.084844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.084844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.084844 (E_RNA) where: Base-Base interactions energy: -134.724 where: short stacking energy: -58.143 Base-Backbone interact. energy: -0.003 local terms energy: -70.357654 where: bonds (distance) C4'-P energy: -12.324 bonds (distance) P-C4' energy: -12.393 flat angles C4'-P-C4' energy: -15.580 flat angles P-C4'-P energy: -12.903 tors. eta vs tors. theta energy: -17.159 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: 4 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -196.163317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.163317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.163317 (E_RNA) where: Base-Base interactions energy: -133.378 where: short stacking energy: -60.733 Base-Backbone interact. energy: -0.002 local terms energy: -62.783846 where: bonds (distance) C4'-P energy: -13.604 bonds (distance) P-C4' energy: -11.111 flat angles C4'-P-C4' energy: -12.253 flat angles P-C4'-P energy: -7.582 tors. eta vs tors. theta energy: -18.235 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: 7 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -196.140971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.140971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.140971 (E_RNA) where: Base-Base interactions energy: -123.085 where: short stacking energy: -51.418 Base-Backbone interact. energy: 0.194 local terms energy: -73.250060 where: bonds (distance) C4'-P energy: -12.039 bonds (distance) P-C4' energy: -15.871 flat angles C4'-P-C4' energy: -15.228 flat angles P-C4'-P energy: -10.631 tors. eta vs tors. theta energy: -19.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -195.346957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.346957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.346957 (E_RNA) where: Base-Base interactions energy: -126.391 where: short stacking energy: -63.691 Base-Backbone interact. energy: -0.051 local terms energy: -68.904937 where: bonds (distance) C4'-P energy: -17.220 bonds (distance) P-C4' energy: -15.706 flat angles C4'-P-C4' energy: -12.498 flat angles P-C4'-P energy: -6.563 tors. eta vs tors. theta energy: -16.918 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: 10 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -174.895581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.895581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.895581 (E_RNA) where: Base-Base interactions energy: -114.378 where: short stacking energy: -47.204 Base-Backbone interact. energy: -0.873 local terms energy: -59.644216 where: bonds (distance) C4'-P energy: -10.336 bonds (distance) P-C4' energy: -13.206 flat angles C4'-P-C4' energy: -15.561 flat angles P-C4'-P energy: -5.831 tors. eta vs tors. theta energy: -14.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -163.339086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.339086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.339086 (E_RNA) where: Base-Base interactions energy: -112.161 where: short stacking energy: -54.029 Base-Backbone interact. energy: -0.322 local terms energy: -50.856605 where: bonds (distance) C4'-P energy: -3.431 bonds (distance) P-C4' energy: -12.196 flat angles C4'-P-C4' energy: -18.304 flat angles P-C4'-P energy: -7.248 tors. eta vs tors. theta energy: -9.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -84.023814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.023814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.023814 (E_RNA) where: Base-Base interactions energy: -34.164 where: short stacking energy: -34.164 Base-Backbone interact. energy: -0.245 local terms energy: -49.614453 where: bonds (distance) C4'-P energy: -11.633 bonds (distance) P-C4' energy: -11.257 flat angles C4'-P-C4' energy: -10.330 flat angles P-C4'-P energy: -9.395 tors. eta vs tors. theta energy: -7.000 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: 9, replica: 9 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -76.659417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.659417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.659417 (E_RNA) where: Base-Base interactions energy: -33.539 where: short stacking energy: -16.446 Base-Backbone interact. energy: -0.248 local terms energy: -42.871919 where: bonds (distance) C4'-P energy: -10.510 bonds (distance) P-C4' energy: -15.529 flat angles C4'-P-C4' energy: -9.225 flat angles P-C4'-P energy: -5.646 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: 10, replica: 5 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -68.049275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.049275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.049275 (E_RNA) where: Base-Base interactions energy: -22.978 where: short stacking energy: -22.978 Base-Backbone interact. energy: -0.197 local terms energy: -44.874067 where: bonds (distance) C4'-P energy: -9.636 bonds (distance) P-C4' energy: -14.226 flat angles C4'-P-C4' energy: -9.352 flat angles P-C4'-P energy: -9.076 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: 1, replica: 6 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -217.676010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.676010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.676010 (E_RNA) where: Base-Base interactions energy: -154.784 where: short stacking energy: -58.730 Base-Backbone interact. energy: -0.595 local terms energy: -62.297137 where: bonds (distance) C4'-P energy: -10.697 bonds (distance) P-C4' energy: -14.779 flat angles C4'-P-C4' energy: -13.979 flat angles P-C4'-P energy: -7.549 tors. eta vs tors. theta energy: -15.293 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: 1 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -192.776016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.776016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.776016 (E_RNA) where: Base-Base interactions energy: -122.110 where: short stacking energy: -55.961 Base-Backbone interact. energy: -0.005 local terms energy: -70.660730 where: bonds (distance) C4'-P energy: -15.619 bonds (distance) P-C4' energy: -15.299 flat angles C4'-P-C4' energy: -12.343 flat angles P-C4'-P energy: -11.968 tors. eta vs tors. theta energy: -15.432 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: 7 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -205.031696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.031696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.031696 (E_RNA) where: Base-Base interactions energy: -132.000 where: short stacking energy: -64.531 Base-Backbone interact. energy: -0.197 local terms energy: -72.834282 where: bonds (distance) C4'-P energy: -12.092 bonds (distance) P-C4' energy: -14.052 flat angles C4'-P-C4' energy: -14.855 flat angles P-C4'-P energy: -13.466 tors. eta vs tors. theta energy: -18.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -198.943636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.943636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.943636 (E_RNA) where: Base-Base interactions energy: -129.270 where: short stacking energy: -60.022 Base-Backbone interact. energy: -0.094 local terms energy: -69.579148 where: bonds (distance) C4'-P energy: -12.344 bonds (distance) P-C4' energy: -14.388 flat angles C4'-P-C4' energy: -16.082 flat angles P-C4'-P energy: -10.538 tors. eta vs tors. theta energy: -16.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -185.974191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.974191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.974191 (E_RNA) where: Base-Base interactions energy: -129.136 where: short stacking energy: -59.932 Base-Backbone interact. energy: -0.032 local terms energy: -56.806044 where: bonds (distance) C4'-P energy: -9.342 bonds (distance) P-C4' energy: -12.855 flat angles C4'-P-C4' energy: -10.565 flat angles P-C4'-P energy: -10.238 tors. eta vs tors. theta energy: -13.807 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: 6, replica: 10 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -175.709486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.709486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.709486 (E_RNA) where: Base-Base interactions energy: -116.112 where: short stacking energy: -52.989 Base-Backbone interact. energy: -0.020 local terms energy: -59.577970 where: bonds (distance) C4'-P energy: -10.422 bonds (distance) P-C4' energy: -10.324 flat angles C4'-P-C4' energy: -13.277 flat angles P-C4'-P energy: -10.855 tors. eta vs tors. theta energy: -14.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -167.276887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.276887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.276887 (E_RNA) where: Base-Base interactions energy: -108.906 where: short stacking energy: -44.411 Base-Backbone interact. energy: -0.214 local terms energy: -58.156294 where: bonds (distance) C4'-P energy: -13.430 bonds (distance) P-C4' energy: -15.333 flat angles C4'-P-C4' energy: -13.384 flat angles P-C4'-P energy: -7.854 tors. eta vs tors. theta energy: -8.155 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: 2 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -100.868298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.868298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.868298 (E_RNA) where: Base-Base interactions energy: -46.936 where: short stacking energy: -28.846 Base-Backbone interact. energy: -0.328 local terms energy: -53.604908 where: bonds (distance) C4'-P energy: -13.147 bonds (distance) P-C4' energy: -13.560 flat angles C4'-P-C4' energy: -13.471 flat angles P-C4'-P energy: -4.148 tors. eta vs tors. theta energy: -9.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -80.821059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.821059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.821059 (E_RNA) where: Base-Base interactions energy: -34.402 where: short stacking energy: -24.993 Base-Backbone interact. energy: -0.038 local terms energy: -46.381327 where: bonds (distance) C4'-P energy: -14.253 bonds (distance) P-C4' energy: -15.406 flat angles C4'-P-C4' energy: -3.797 flat angles P-C4'-P energy: -7.738 tors. eta vs tors. theta energy: -5.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -72.862110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.862110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.862110 (E_RNA) where: Base-Base interactions energy: -25.771 where: short stacking energy: -25.771 Base-Backbone interact. energy: -0.109 local terms energy: -46.982660 where: bonds (distance) C4'-P energy: -14.792 bonds (distance) P-C4' energy: -12.741 flat angles C4'-P-C4' energy: -13.653 flat angles P-C4'-P energy: -3.873 tors. eta vs tors. theta energy: -1.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -216.790274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.790274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.790274 (E_RNA) where: Base-Base interactions energy: -155.057 where: short stacking energy: -52.976 Base-Backbone interact. energy: -0.286 local terms energy: -61.447376 where: bonds (distance) C4'-P energy: -14.099 bonds (distance) P-C4' energy: -11.059 flat angles C4'-P-C4' energy: -12.195 flat angles P-C4'-P energy: -10.491 tors. eta vs tors. theta energy: -13.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -190.738648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.738648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.738648 (E_RNA) where: Base-Base interactions energy: -126.913 where: short stacking energy: -54.523 Base-Backbone interact. energy: -0.221 local terms energy: -63.604375 where: bonds (distance) C4'-P energy: -15.104 bonds (distance) P-C4' energy: -13.102 flat angles C4'-P-C4' energy: -12.712 flat angles P-C4'-P energy: -6.546 tors. eta vs tors. theta energy: -16.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -198.662247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.662247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.662247 (E_RNA) where: Base-Base interactions energy: -132.741 where: short stacking energy: -67.238 Base-Backbone interact. energy: -0.019 local terms energy: -65.902031 where: bonds (distance) C4'-P energy: -13.620 bonds (distance) P-C4' energy: -12.032 flat angles C4'-P-C4' energy: -11.407 flat angles P-C4'-P energy: -10.463 tors. eta vs tors. theta energy: -18.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -201.381636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.381636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.381636 (E_RNA) where: Base-Base interactions energy: -124.641 where: short stacking energy: -57.554 Base-Backbone interact. energy: -0.017 local terms energy: -76.723270 where: bonds (distance) C4'-P energy: -14.500 bonds (distance) P-C4' energy: -14.811 flat angles C4'-P-C4' energy: -16.708 flat angles P-C4'-P energy: -13.194 tors. eta vs tors. theta energy: -17.510 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: 3 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -165.653772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.653772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.653772 (E_RNA) where: Base-Base interactions energy: -108.484 where: short stacking energy: -48.255 Base-Backbone interact. energy: 0.418 local terms energy: -57.587804 where: bonds (distance) C4'-P energy: -13.930 bonds (distance) P-C4' energy: -14.033 flat angles C4'-P-C4' energy: -11.552 flat angles P-C4'-P energy: -8.891 tors. eta vs tors. theta energy: -9.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -174.884815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.884815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.884815 (E_RNA) where: Base-Base interactions energy: -110.988 where: short stacking energy: -56.017 Base-Backbone interact. energy: 0.246 local terms energy: -64.143098 where: bonds (distance) C4'-P energy: -11.520 bonds (distance) P-C4' energy: -12.007 flat angles C4'-P-C4' energy: -16.057 flat angles P-C4'-P energy: -9.090 tors. eta vs tors. theta energy: -15.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -164.178561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.178561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.178561 (E_RNA) where: Base-Base interactions energy: -111.824 where: short stacking energy: -44.645 Base-Backbone interact. energy: 1.476 local terms energy: -53.831260 where: bonds (distance) C4'-P energy: -12.934 bonds (distance) P-C4' energy: -11.051 flat angles C4'-P-C4' energy: -13.994 flat angles P-C4'-P energy: -7.233 tors. eta vs tors. theta energy: -8.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -94.307008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.307008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.307008 (E_RNA) where: Base-Base interactions energy: -43.905 where: short stacking energy: -34.674 Base-Backbone interact. energy: -0.013 local terms energy: -50.388919 where: bonds (distance) C4'-P energy: -9.616 bonds (distance) P-C4' energy: -9.756 flat angles C4'-P-C4' energy: -14.422 flat angles P-C4'-P energy: -10.301 tors. eta vs tors. theta energy: -6.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -82.729952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.729952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.729952 (E_RNA) where: Base-Base interactions energy: -32.877 where: short stacking energy: -32.849 Base-Backbone interact. energy: -0.166 local terms energy: -49.687396 where: bonds (distance) C4'-P energy: -11.965 bonds (distance) P-C4' energy: -10.516 flat angles C4'-P-C4' energy: -12.005 flat angles P-C4'-P energy: -7.132 tors. eta vs tors. theta energy: -8.071 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: 9 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -78.178811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.178811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.178811 (E_RNA) where: Base-Base interactions energy: -37.706 where: short stacking energy: -17.709 Base-Backbone interact. energy: -0.675 local terms energy: -39.798011 where: bonds (distance) C4'-P energy: -11.139 bonds (distance) P-C4' energy: -14.402 flat angles C4'-P-C4' energy: -7.763 flat angles P-C4'-P energy: -6.408 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: 1, replica: 1 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -205.347021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.347021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.347021 (E_RNA) where: Base-Base interactions energy: -139.004 where: short stacking energy: -65.241 Base-Backbone interact. energy: -0.047 local terms energy: -66.296707 where: bonds (distance) C4'-P energy: -12.062 bonds (distance) P-C4' energy: -13.045 flat angles C4'-P-C4' energy: -14.629 flat angles P-C4'-P energy: -10.785 tors. eta vs tors. theta energy: -15.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -214.063425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.063425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.063425 (E_RNA) where: Base-Base interactions energy: -152.779 where: short stacking energy: -57.941 Base-Backbone interact. energy: -0.183 local terms energy: -61.101262 where: bonds (distance) C4'-P energy: -14.154 bonds (distance) P-C4' energy: -11.443 flat angles C4'-P-C4' energy: -14.917 flat angles P-C4'-P energy: -5.527 tors. eta vs tors. theta energy: -15.060 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: 444 Temperature: 1.000000 Total energy: -201.383770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.383770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.383770 (E_RNA) where: Base-Base interactions energy: -137.005 where: short stacking energy: -55.997 Base-Backbone interact. energy: 0.251 local terms energy: -64.629865 where: bonds (distance) C4'-P energy: -14.738 bonds (distance) P-C4' energy: -8.663 flat angles C4'-P-C4' energy: -14.893 flat angles P-C4'-P energy: -9.248 tors. eta vs tors. theta energy: -17.088 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: 7 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -197.319452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.319452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.319452 (E_RNA) where: Base-Base interactions energy: -129.264 where: short stacking energy: -64.638 Base-Backbone interact. energy: 0.391 local terms energy: -68.446472 where: bonds (distance) C4'-P energy: -11.864 bonds (distance) P-C4' energy: -14.187 flat angles C4'-P-C4' energy: -15.182 flat angles P-C4'-P energy: -7.600 tors. eta vs tors. theta energy: -19.613 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: 10 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -178.829927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.829927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.829927 (E_RNA) where: Base-Base interactions energy: -120.026 where: short stacking energy: -60.975 Base-Backbone interact. energy: -0.009 local terms energy: -58.795523 where: bonds (distance) C4'-P energy: -12.559 bonds (distance) P-C4' energy: -11.247 flat angles C4'-P-C4' energy: -11.228 flat angles P-C4'-P energy: -8.914 tors. eta vs tors. theta energy: -14.847 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: 3 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -190.744136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.744136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.744136 (E_RNA) where: Base-Base interactions energy: -122.705 where: short stacking energy: -58.265 Base-Backbone interact. energy: -0.205 local terms energy: -67.834253 where: bonds (distance) C4'-P energy: -8.196 bonds (distance) P-C4' energy: -17.112 flat angles C4'-P-C4' energy: -16.740 flat angles P-C4'-P energy: -7.456 tors. eta vs tors. theta energy: -18.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -176.245254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.245254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.245254 (E_RNA) where: Base-Base interactions energy: -119.141 where: short stacking energy: -54.577 Base-Backbone interact. energy: -0.083 local terms energy: -57.021225 where: bonds (distance) C4'-P energy: -13.061 bonds (distance) P-C4' energy: -14.312 flat angles C4'-P-C4' energy: -15.207 flat angles P-C4'-P energy: -6.119 tors. eta vs tors. theta energy: -8.323 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: 2 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -95.640693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.640693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.640693 (E_RNA) where: Base-Base interactions energy: -41.903 where: short stacking energy: -30.327 Base-Backbone interact. energy: -0.286 local terms energy: -53.450946 where: bonds (distance) C4'-P energy: -13.557 bonds (distance) P-C4' energy: -12.589 flat angles C4'-P-C4' energy: -15.313 flat angles P-C4'-P energy: -6.330 tors. eta vs tors. theta energy: -5.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -81.835364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.835364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.835364 (E_RNA) where: Base-Base interactions energy: -34.599 where: short stacking energy: -23.367 Base-Backbone interact. energy: -0.019 local terms energy: -47.216727 where: bonds (distance) C4'-P energy: -8.980 bonds (distance) P-C4' energy: -11.192 flat angles C4'-P-C4' energy: -14.183 flat angles P-C4'-P energy: -10.968 tors. eta vs tors. theta energy: -1.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -91.752652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.752652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.752652 (E_RNA) where: Base-Base interactions energy: -39.718 where: short stacking energy: -24.619 Base-Backbone interact. energy: -0.058 local terms energy: -51.977013 where: bonds (distance) C4'-P energy: -14.209 bonds (distance) P-C4' energy: -16.367 flat angles C4'-P-C4' energy: -11.753 flat angles P-C4'-P energy: -7.801 tors. eta vs tors. theta energy: -1.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -197.314669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.314669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.314669 (E_RNA) where: Base-Base interactions energy: -129.810 where: short stacking energy: -52.167 Base-Backbone interact. energy: -0.100 local terms energy: -67.404884 where: bonds (distance) C4'-P energy: -12.338 bonds (distance) P-C4' energy: -14.131 flat angles C4'-P-C4' energy: -13.320 flat angles P-C4'-P energy: -11.216 tors. eta vs tors. theta energy: -16.401 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: 6 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -215.502199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.502199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.502199 (E_RNA) where: Base-Base interactions energy: -144.690 where: short stacking energy: -54.408 Base-Backbone interact. energy: -0.383 local terms energy: -70.429454 where: bonds (distance) C4'-P energy: -14.278 bonds (distance) P-C4' energy: -16.858 flat angles C4'-P-C4' energy: -14.219 flat angles P-C4'-P energy: -12.601 tors. eta vs tors. theta energy: -12.473 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: 4 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -204.919827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.919827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.919827 (E_RNA) where: Base-Base interactions energy: -135.314 where: short stacking energy: -62.140 Base-Backbone interact. energy: -0.099 local terms energy: -69.506959 where: bonds (distance) C4'-P energy: -10.184 bonds (distance) P-C4' energy: -12.059 flat angles C4'-P-C4' energy: -16.309 flat angles P-C4'-P energy: -9.618 tors. eta vs tors. theta energy: -21.337 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: 7 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -196.738789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.738789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.738789 (E_RNA) where: Base-Base interactions energy: -129.518 where: short stacking energy: -58.794 Base-Backbone interact. energy: -0.418 local terms energy: -66.802508 where: bonds (distance) C4'-P energy: -10.754 bonds (distance) P-C4' energy: -15.607 flat angles C4'-P-C4' energy: -16.659 flat angles P-C4'-P energy: -7.889 tors. eta vs tors. theta energy: -15.894 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: 10 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -175.441742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.441742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.441742 (E_RNA) where: Base-Base interactions energy: -113.028 where: short stacking energy: -51.335 Base-Backbone interact. energy: -0.106 local terms energy: -62.307779 where: bonds (distance) C4'-P energy: -14.364 bonds (distance) P-C4' energy: -15.526 flat angles C4'-P-C4' energy: -14.306 flat angles P-C4'-P energy: -7.850 tors. eta vs tors. theta energy: -10.262 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: 6, replica: 8 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -183.578405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.578405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.578405 (E_RNA) where: Base-Base interactions energy: -117.241 where: short stacking energy: -50.584 Base-Backbone interact. energy: -0.175 local terms energy: -66.161993 where: bonds (distance) C4'-P energy: -11.935 bonds (distance) P-C4' energy: -12.373 flat angles C4'-P-C4' energy: -14.499 flat angles P-C4'-P energy: -8.823 tors. eta vs tors. theta energy: -18.533 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: 445 Temperature: 1.200000 Total energy: -177.660406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.660406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.660406 (E_RNA) where: Base-Base interactions energy: -121.387 where: short stacking energy: -44.582 Base-Backbone interact. energy: 0.343 local terms energy: -56.616070 where: bonds (distance) C4'-P energy: -13.894 bonds (distance) P-C4' energy: -8.811 flat angles C4'-P-C4' energy: -9.539 flat angles P-C4'-P energy: -10.183 tors. eta vs tors. theta energy: -14.189 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: 445 Temperature: 1.250000 Total energy: -85.107935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.107935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.107935 (E_RNA) where: Base-Base interactions energy: -37.559 where: short stacking energy: -37.559 Base-Backbone interact. energy: -0.041 local terms energy: -47.507123 where: bonds (distance) C4'-P energy: -12.087 bonds (distance) P-C4' energy: -9.083 flat angles C4'-P-C4' energy: -14.863 flat angles P-C4'-P energy: -8.039 tors. eta vs tors. theta energy: -3.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -77.785061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.785061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.785061 (E_RNA) where: Base-Base interactions energy: -33.971 where: short stacking energy: -33.756 Base-Backbone interact. energy: -0.007 local terms energy: -43.807138 where: bonds (distance) C4'-P energy: -10.274 bonds (distance) P-C4' energy: -7.063 flat angles C4'-P-C4' energy: -13.434 flat angles P-C4'-P energy: -8.597 tors. eta vs tors. theta energy: -4.439 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: 5 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -84.754206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.754206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.754206 (E_RNA) where: Base-Base interactions energy: -38.379 where: short stacking energy: -24.882 Base-Backbone interact. energy: -0.080 local terms energy: -46.295007 where: bonds (distance) C4'-P energy: -12.452 bonds (distance) P-C4' energy: -14.622 flat angles C4'-P-C4' energy: -11.347 flat angles P-C4'-P energy: -5.039 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: 6 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -216.228745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.228745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.228745 (E_RNA) where: Base-Base interactions energy: -148.138 where: short stacking energy: -60.140 Base-Backbone interact. energy: -0.493 local terms energy: -67.598211 where: bonds (distance) C4'-P energy: -14.746 bonds (distance) P-C4' energy: -14.389 flat angles C4'-P-C4' energy: -14.991 flat angles P-C4'-P energy: -6.354 tors. eta vs tors. theta energy: -17.119 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: 1 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -208.703259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.703259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.703259 (E_RNA) where: Base-Base interactions energy: -138.973 where: short stacking energy: -65.113 Base-Backbone interact. energy: -0.040 local terms energy: -69.690100 where: bonds (distance) C4'-P energy: -14.083 bonds (distance) P-C4' energy: -16.382 flat angles C4'-P-C4' energy: -13.748 flat angles P-C4'-P energy: -9.061 tors. eta vs tors. theta energy: -16.417 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: 7 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -198.249395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.249395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.249395 (E_RNA) where: Base-Base interactions energy: -132.569 where: short stacking energy: -50.421 Base-Backbone interact. energy: -0.117 local terms energy: -65.562467 where: bonds (distance) C4'-P energy: -11.267 bonds (distance) P-C4' energy: -12.958 flat angles C4'-P-C4' energy: -17.621 flat angles P-C4'-P energy: -10.047 tors. eta vs tors. theta energy: -13.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -204.907501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.907501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.907501 (E_RNA) where: Base-Base interactions energy: -133.114 where: short stacking energy: -61.408 Base-Backbone interact. energy: -0.004 local terms energy: -71.788979 where: bonds (distance) C4'-P energy: -15.682 bonds (distance) P-C4' energy: -13.202 flat angles C4'-P-C4' energy: -10.081 flat angles P-C4'-P energy: -12.340 tors. eta vs tors. theta energy: -20.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -193.957640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.957640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.957640 (E_RNA) where: Base-Base interactions energy: -131.746 where: short stacking energy: -61.034 Base-Backbone interact. energy: -0.005 local terms energy: -62.206728 where: bonds (distance) C4'-P energy: -13.971 bonds (distance) P-C4' energy: -11.889 flat angles C4'-P-C4' energy: -14.047 flat angles P-C4'-P energy: -7.472 tors. eta vs tors. theta energy: -14.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -169.120691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.120691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.120691 (E_RNA) where: Base-Base interactions energy: -113.382 where: short stacking energy: -49.371 Base-Backbone interact. energy: 0.080 local terms energy: -55.818119 where: bonds (distance) C4'-P energy: -9.136 bonds (distance) P-C4' energy: -17.091 flat angles C4'-P-C4' energy: -6.348 flat angles P-C4'-P energy: -8.006 tors. eta vs tors. theta energy: -15.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -186.701382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.701382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.701382 (E_RNA) where: Base-Base interactions energy: -123.942 where: short stacking energy: -53.156 Base-Backbone interact. energy: -0.797 local terms energy: -61.962381 where: bonds (distance) C4'-P energy: -8.962 bonds (distance) P-C4' energy: -15.606 flat angles C4'-P-C4' energy: -14.120 flat angles P-C4'-P energy: -9.300 tors. eta vs tors. theta energy: -13.975 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: 446 Temperature: 1.250000 Total energy: -89.084403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.084403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.084403 (E_RNA) where: Base-Base interactions energy: -35.455 where: short stacking energy: -35.455 Base-Backbone interact. energy: -0.198 local terms energy: -53.431376 where: bonds (distance) C4'-P energy: -13.863 bonds (distance) P-C4' energy: -12.504 flat angles C4'-P-C4' energy: -11.312 flat angles P-C4'-P energy: -10.104 tors. eta vs tors. theta energy: -5.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -94.868154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.868154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.868154 (E_RNA) where: Base-Base interactions energy: -41.599 where: short stacking energy: -39.698 Base-Backbone interact. energy: -0.123 local terms energy: -53.146875 where: bonds (distance) C4'-P energy: -11.947 bonds (distance) P-C4' energy: -16.308 flat angles C4'-P-C4' energy: -10.211 flat angles P-C4'-P energy: -10.285 tors. eta vs tors. theta energy: -4.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -75.147616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.147616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.147616 (E_RNA) where: Base-Base interactions energy: -24.957 where: short stacking energy: -24.011 Base-Backbone interact. energy: -0.184 local terms energy: -50.007077 where: bonds (distance) C4'-P energy: -12.120 bonds (distance) P-C4' energy: -15.752 flat angles C4'-P-C4' energy: -12.651 flat angles P-C4'-P energy: -8.653 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: 1, replica: 6 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -220.393946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.393946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.393946 (E_RNA) where: Base-Base interactions energy: -156.067 where: short stacking energy: -61.659 Base-Backbone interact. energy: -0.066 local terms energy: -64.260925 where: bonds (distance) C4'-P energy: -14.639 bonds (distance) P-C4' energy: -15.290 flat angles C4'-P-C4' energy: -12.757 flat angles P-C4'-P energy: -9.503 tors. eta vs tors. theta energy: -12.073 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: 7 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -207.714712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.714712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.714712 (E_RNA) where: Base-Base interactions energy: -144.289 where: short stacking energy: -62.311 Base-Backbone interact. energy: -0.178 local terms energy: -63.247075 where: bonds (distance) C4'-P energy: -12.671 bonds (distance) P-C4' energy: -15.015 flat angles C4'-P-C4' energy: -14.440 flat angles P-C4'-P energy: -6.503 tors. eta vs tors. theta energy: -14.618 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: 3, replica: 1 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -189.695270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.695270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.695270 (E_RNA) where: Base-Base interactions energy: -128.745 where: short stacking energy: -53.733 Base-Backbone interact. energy: -0.023 local terms energy: -60.927097 where: bonds (distance) C4'-P energy: -13.339 bonds (distance) P-C4' energy: -11.371 flat angles C4'-P-C4' energy: -13.009 flat angles P-C4'-P energy: -6.609 tors. eta vs tors. theta energy: -16.598 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: 4, replica: 4 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -196.725199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.725199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.725199 (E_RNA) where: Base-Base interactions energy: -130.520 where: short stacking energy: -59.949 Base-Backbone interact. energy: -0.020 local terms energy: -66.184638 where: bonds (distance) C4'-P energy: -13.893 bonds (distance) P-C4' energy: -16.353 flat angles C4'-P-C4' energy: -9.576 flat angles P-C4'-P energy: -9.596 tors. eta vs tors. theta energy: -16.768 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: 8 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -194.578986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.578986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.578986 (E_RNA) where: Base-Base interactions energy: -128.010 where: short stacking energy: -54.297 Base-Backbone interact. energy: -0.105 local terms energy: -66.464853 where: bonds (distance) C4'-P energy: -11.867 bonds (distance) P-C4' energy: -15.057 flat angles C4'-P-C4' energy: -13.598 flat angles P-C4'-P energy: -12.683 tors. eta vs tors. theta energy: -13.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -167.292608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.292608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.292608 (E_RNA) where: Base-Base interactions energy: -106.685 where: short stacking energy: -45.857 Base-Backbone interact. energy: -0.035 local terms energy: -60.572389 where: bonds (distance) C4'-P energy: -8.916 bonds (distance) P-C4' energy: -15.680 flat angles C4'-P-C4' energy: -12.844 flat angles P-C4'-P energy: -10.447 tors. eta vs tors. theta energy: -12.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -144.540452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.540452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.540452 (E_RNA) where: Base-Base interactions energy: -93.870 where: short stacking energy: -36.389 Base-Backbone interact. energy: -0.182 local terms energy: -50.487637 where: bonds (distance) C4'-P energy: -7.933 bonds (distance) P-C4' energy: -7.876 flat angles C4'-P-C4' energy: -13.771 flat angles P-C4'-P energy: -11.647 tors. eta vs tors. theta energy: -9.262 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: 8, replica: 5 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -114.256480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.256480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.256480 (E_RNA) where: Base-Base interactions energy: -56.425 where: short stacking energy: -38.489 Base-Backbone interact. energy: 0.105 local terms energy: -57.936365 where: bonds (distance) C4'-P energy: -15.611 bonds (distance) P-C4' energy: -12.920 flat angles C4'-P-C4' energy: -14.203 flat angles P-C4'-P energy: -8.785 tors. eta vs tors. theta energy: -6.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -88.352078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.352078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.352078 (E_RNA) where: Base-Base interactions energy: -36.243 where: short stacking energy: -29.483 Base-Backbone interact. energy: -0.095 local terms energy: -52.013947 where: bonds (distance) C4'-P energy: -13.777 bonds (distance) P-C4' energy: -15.790 flat angles C4'-P-C4' energy: -6.813 flat angles P-C4'-P energy: -11.871 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: 10, replica: 2 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -98.423895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.423895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.423895 (E_RNA) where: Base-Base interactions energy: -52.435 where: short stacking energy: -26.237 Base-Backbone interact. energy: -0.176 local terms energy: -45.812733 where: bonds (distance) C4'-P energy: -13.712 bonds (distance) P-C4' energy: -17.059 flat angles C4'-P-C4' energy: -14.596 flat angles P-C4'-P energy: -1.229 tors. eta vs tors. theta energy: 0.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -216.702614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.702614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.702614 (E_RNA) where: Base-Base interactions energy: -147.072 where: short stacking energy: -63.322 Base-Backbone interact. energy: -0.658 local terms energy: -68.972756 where: bonds (distance) C4'-P energy: -15.164 bonds (distance) P-C4' energy: -15.258 flat angles C4'-P-C4' energy: -16.263 flat angles P-C4'-P energy: -4.167 tors. eta vs tors. theta energy: -18.121 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: 6 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -227.426723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -227.426723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -227.426723 (E_RNA) where: Base-Base interactions energy: -160.085 where: short stacking energy: -65.189 Base-Backbone interact. energy: -1.088 local terms energy: -66.253858 where: bonds (distance) C4'-P energy: -14.795 bonds (distance) P-C4' energy: -14.033 flat angles C4'-P-C4' energy: -12.087 flat angles P-C4'-P energy: -8.382 tors. eta vs tors. theta energy: -16.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -204.206474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.206474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.206474 (E_RNA) where: Base-Base interactions energy: -138.863 where: short stacking energy: -55.269 Base-Backbone interact. energy: -0.096 local terms energy: -65.247478 where: bonds (distance) C4'-P energy: -12.701 bonds (distance) P-C4' energy: -12.811 flat angles C4'-P-C4' energy: -16.940 flat angles P-C4'-P energy: -11.435 tors. eta vs tors. theta energy: -11.361 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: 4, replica: 1 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -193.819199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.819199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.819199 (E_RNA) where: Base-Base interactions energy: -122.786 where: short stacking energy: -51.858 Base-Backbone interact. energy: -0.084 local terms energy: -70.949127 where: bonds (distance) C4'-P energy: -14.581 bonds (distance) P-C4' energy: -12.666 flat angles C4'-P-C4' energy: -13.743 flat angles P-C4'-P energy: -12.559 tors. eta vs tors. theta energy: -17.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -197.896892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.896892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.896892 (E_RNA) where: Base-Base interactions energy: -130.249 where: short stacking energy: -49.687 Base-Backbone interact. energy: -0.352 local terms energy: -67.296185 where: bonds (distance) C4'-P energy: -13.214 bonds (distance) P-C4' energy: -16.517 flat angles C4'-P-C4' energy: -15.723 flat angles P-C4'-P energy: -9.100 tors. eta vs tors. theta energy: -12.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -162.670358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.670358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.670358 (E_RNA) where: Base-Base interactions energy: -108.146 where: short stacking energy: -39.157 Base-Backbone interact. energy: -0.303 local terms energy: -54.221225 where: bonds (distance) C4'-P energy: -14.758 bonds (distance) P-C4' energy: -10.057 flat angles C4'-P-C4' energy: -14.391 flat angles P-C4'-P energy: -5.310 tors. eta vs tors. theta energy: -9.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -146.507005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.507005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.507005 (E_RNA) where: Base-Base interactions energy: -96.835 where: short stacking energy: -49.241 Base-Backbone interact. energy: 1.167 local terms energy: -50.838743 where: bonds (distance) C4'-P energy: -10.609 bonds (distance) P-C4' energy: -14.709 flat angles C4'-P-C4' energy: -12.710 flat angles P-C4'-P energy: -5.327 tors. eta vs tors. theta energy: -7.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -108.753868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.753868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.753868 (E_RNA) where: Base-Base interactions energy: -54.231 where: short stacking energy: -38.137 Base-Backbone interact. energy: -0.135 local terms energy: -54.388738 where: bonds (distance) C4'-P energy: -9.464 bonds (distance) P-C4' energy: -15.504 flat angles C4'-P-C4' energy: -12.437 flat angles P-C4'-P energy: -8.542 tors. eta vs tors. theta energy: -8.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -89.544534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.544534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.544534 (E_RNA) where: Base-Base interactions energy: -53.249 where: short stacking energy: -40.727 Base-Backbone interact. energy: -1.404 local terms energy: -34.891380 where: bonds (distance) C4'-P energy: -7.087 bonds (distance) P-C4' energy: -13.998 flat angles C4'-P-C4' energy: -5.069 flat angles P-C4'-P energy: -5.931 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: 9 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -77.687776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.687776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.687776 (E_RNA) where: Base-Base interactions energy: -29.757 where: short stacking energy: -28.783 Base-Backbone interact. energy: 0.089 local terms energy: -48.019764 where: bonds (distance) C4'-P energy: -8.934 bonds (distance) P-C4' energy: -13.940 flat angles C4'-P-C4' energy: -12.626 flat angles P-C4'-P energy: -7.852 tors. eta vs tors. theta energy: -4.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -212.434802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.434802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.434802 (E_RNA) where: Base-Base interactions energy: -140.966 where: short stacking energy: -61.310 Base-Backbone interact. energy: -0.914 local terms energy: -70.554284 where: bonds (distance) C4'-P energy: -13.014 bonds (distance) P-C4' energy: -13.570 flat angles C4'-P-C4' energy: -16.015 flat angles P-C4'-P energy: -10.067 tors. eta vs tors. theta energy: -17.888 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: 4 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -214.681423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.681423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.681423 (E_RNA) where: Base-Base interactions energy: -147.147 where: short stacking energy: -56.761 Base-Backbone interact. energy: -0.116 local terms energy: -67.417944 where: bonds (distance) C4'-P energy: -16.451 bonds (distance) P-C4' energy: -11.895 flat angles C4'-P-C4' energy: -17.118 flat angles P-C4'-P energy: -6.279 tors. eta vs tors. theta energy: -15.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -205.346412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.346412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.346412 (E_RNA) where: Base-Base interactions energy: -150.002 where: short stacking energy: -56.415 Base-Backbone interact. energy: -0.112 local terms energy: -55.232728 where: bonds (distance) C4'-P energy: -13.143 bonds (distance) P-C4' energy: -10.349 flat angles C4'-P-C4' energy: -11.004 flat angles P-C4'-P energy: -7.866 tors. eta vs tors. theta energy: -12.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -199.038160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.038160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.038160 (E_RNA) where: Base-Base interactions energy: -135.430 where: short stacking energy: -61.420 Base-Backbone interact. energy: -0.003 local terms energy: -63.604592 where: bonds (distance) C4'-P energy: -11.969 bonds (distance) P-C4' energy: -15.416 flat angles C4'-P-C4' energy: -12.997 flat angles P-C4'-P energy: -6.497 tors. eta vs tors. theta energy: -16.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -208.625828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.625828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.625828 (E_RNA) where: Base-Base interactions energy: -143.338 where: short stacking energy: -44.858 Base-Backbone interact. energy: -0.328 local terms energy: -64.959622 where: bonds (distance) C4'-P energy: -16.745 bonds (distance) P-C4' energy: -12.745 flat angles C4'-P-C4' energy: -12.101 flat angles P-C4'-P energy: -9.537 tors. eta vs tors. theta energy: -13.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -173.104799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.104799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.104799 (E_RNA) where: Base-Base interactions energy: -120.875 where: short stacking energy: -52.399 Base-Backbone interact. energy: -0.397 local terms energy: -51.832734 where: bonds (distance) C4'-P energy: -12.308 bonds (distance) P-C4' energy: -6.967 flat angles C4'-P-C4' energy: -12.143 flat angles P-C4'-P energy: -9.537 tors. eta vs tors. theta energy: -10.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -164.307462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.307462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.307462 (E_RNA) where: Base-Base interactions energy: -111.953 where: short stacking energy: -41.707 Base-Backbone interact. energy: -0.023 local terms energy: -52.332327 where: bonds (distance) C4'-P energy: -13.885 bonds (distance) P-C4' energy: -13.919 flat angles C4'-P-C4' energy: -12.687 flat angles P-C4'-P energy: -8.438 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: 8, replica: 2 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -125.915555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.915555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.915555 (E_RNA) where: Base-Base interactions energy: -72.636 where: short stacking energy: -43.252 Base-Backbone interact. energy: -0.009 local terms energy: -53.270876 where: bonds (distance) C4'-P energy: -10.412 bonds (distance) P-C4' energy: -11.841 flat angles C4'-P-C4' energy: -12.111 flat angles P-C4'-P energy: -9.988 tors. eta vs tors. theta energy: -8.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -90.965483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.965483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.965483 (E_RNA) where: Base-Base interactions energy: -36.450 where: short stacking energy: -35.465 Base-Backbone interact. energy: -0.002 local terms energy: -54.513268 where: bonds (distance) C4'-P energy: -13.309 bonds (distance) P-C4' energy: -12.843 flat angles C4'-P-C4' energy: -12.814 flat angles P-C4'-P energy: -8.955 tors. eta vs tors. theta energy: -6.591 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: 9 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -110.822062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.822062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.822062 (E_RNA) where: Base-Base interactions energy: -64.792 where: short stacking energy: -31.412 Base-Backbone interact. energy: -0.114 local terms energy: -45.916171 where: bonds (distance) C4'-P energy: -12.949 bonds (distance) P-C4' energy: -11.962 flat angles C4'-P-C4' energy: -10.460 flat angles P-C4'-P energy: -8.830 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: 1, replica: 4 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -225.010301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.010301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.010301 (E_RNA) where: Base-Base interactions energy: -159.255 where: short stacking energy: -63.164 Base-Backbone interact. energy: -0.121 local terms energy: -65.634259 where: bonds (distance) C4'-P energy: -12.821 bonds (distance) P-C4' energy: -13.113 flat angles C4'-P-C4' energy: -15.000 flat angles P-C4'-P energy: -8.194 tors. eta vs tors. theta energy: -16.507 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: 7 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -211.033693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.033693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.033693 (E_RNA) where: Base-Base interactions energy: -142.221 where: short stacking energy: -59.327 Base-Backbone interact. energy: -0.557 local terms energy: -68.255400 where: bonds (distance) C4'-P energy: -11.971 bonds (distance) P-C4' energy: -15.427 flat angles C4'-P-C4' energy: -13.251 flat angles P-C4'-P energy: -9.418 tors. eta vs tors. theta energy: -18.189 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: 1 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -198.655052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.655052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.655052 (E_RNA) where: Base-Base interactions energy: -129.344 where: short stacking energy: -59.805 Base-Backbone interact. energy: -0.031 local terms energy: -69.279678 where: bonds (distance) C4'-P energy: -13.169 bonds (distance) P-C4' energy: -16.544 flat angles C4'-P-C4' energy: -13.437 flat angles P-C4'-P energy: -9.552 tors. eta vs tors. theta energy: -16.578 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: 450 Temperature: 1.050000 Total energy: -210.181182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.181182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.181182 (E_RNA) where: Base-Base interactions energy: -145.512 where: short stacking energy: -61.837 Base-Backbone interact. energy: -0.145 local terms energy: -64.524662 where: bonds (distance) C4'-P energy: -12.786 bonds (distance) P-C4' energy: -14.780 flat angles C4'-P-C4' energy: -13.401 flat angles P-C4'-P energy: -6.613 tors. eta vs tors. theta energy: -16.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -172.050741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.050741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.050741 (E_RNA) where: Base-Base interactions energy: -116.138 where: short stacking energy: -50.813 Base-Backbone interact. energy: -0.226 local terms energy: -55.685990 where: bonds (distance) C4'-P energy: -9.399 bonds (distance) P-C4' energy: -16.685 flat angles C4'-P-C4' energy: -13.668 flat angles P-C4'-P energy: -4.107 tors. eta vs tors. theta energy: -11.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -192.331823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.331823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.331823 (E_RNA) where: Base-Base interactions energy: -140.508 where: short stacking energy: -51.085 Base-Backbone interact. energy: -0.051 local terms energy: -51.773015 where: bonds (distance) C4'-P energy: -13.057 bonds (distance) P-C4' energy: -9.542 flat angles C4'-P-C4' energy: -12.663 flat angles P-C4'-P energy: -7.670 tors. eta vs tors. theta energy: -8.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -167.280099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.280099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.280099 (E_RNA) where: Base-Base interactions energy: -111.685 where: short stacking energy: -47.657 Base-Backbone interact. energy: -0.133 local terms energy: -55.461921 where: bonds (distance) C4'-P energy: -14.564 bonds (distance) P-C4' energy: -9.623 flat angles C4'-P-C4' energy: -12.970 flat angles P-C4'-P energy: -6.032 tors. eta vs tors. theta energy: -12.273 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: 2 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -107.494574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.494574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.494574 (E_RNA) where: Base-Base interactions energy: -61.262 where: short stacking energy: -30.160 Base-Backbone interact. energy: -0.245 local terms energy: -45.986945 where: bonds (distance) C4'-P energy: -8.982 bonds (distance) P-C4' energy: -11.250 flat angles C4'-P-C4' energy: -11.724 flat angles P-C4'-P energy: -6.726 tors. eta vs tors. theta energy: -7.305 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: 450 Temperature: 1.300000 Total energy: -79.245096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.245096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.245096 (E_RNA) where: Base-Base interactions energy: -27.840 where: short stacking energy: -25.099 Base-Backbone interact. energy: -0.007 local terms energy: -51.398490 where: bonds (distance) C4'-P energy: -12.911 bonds (distance) P-C4' energy: -12.063 flat angles C4'-P-C4' energy: -15.891 flat angles P-C4'-P energy: -8.121 tors. eta vs tors. theta energy: -2.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -85.851306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.851306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.851306 (E_RNA) where: Base-Base interactions energy: -33.716 where: short stacking energy: -33.716 Base-Backbone interact. energy: -0.003 local terms energy: -52.132062 where: bonds (distance) C4'-P energy: -6.951 bonds (distance) P-C4' energy: -16.168 flat angles C4'-P-C4' energy: -14.102 flat angles P-C4'-P energy: -9.649 tors. eta vs tors. theta energy: -5.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -216.937663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.937663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.937663 (E_RNA) where: Base-Base interactions energy: -153.128 where: short stacking energy: -60.591 Base-Backbone interact. energy: -0.065 local terms energy: -63.744754 where: bonds (distance) C4'-P energy: -12.581 bonds (distance) P-C4' energy: -13.933 flat angles C4'-P-C4' energy: -13.846 flat angles P-C4'-P energy: -8.717 tors. eta vs tors. theta energy: -14.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -208.981639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.981639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.981639 (E_RNA) where: Base-Base interactions energy: -137.708 where: short stacking energy: -58.598 Base-Backbone interact. energy: -0.075 local terms energy: -71.198712 where: bonds (distance) C4'-P energy: -13.471 bonds (distance) P-C4' energy: -12.667 flat angles C4'-P-C4' energy: -16.310 flat angles P-C4'-P energy: -12.988 tors. eta vs tors. theta energy: -15.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -195.612469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.612469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.612469 (E_RNA) where: Base-Base interactions energy: -132.839 where: short stacking energy: -54.505 Base-Backbone interact. energy: -0.903 local terms energy: -61.870850 where: bonds (distance) C4'-P energy: -13.347 bonds (distance) P-C4' energy: -14.135 flat angles C4'-P-C4' energy: -13.419 flat angles P-C4'-P energy: -8.427 tors. eta vs tors. theta energy: -12.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -184.018490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.018490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.018490 (E_RNA) where: Base-Base interactions energy: -123.180 where: short stacking energy: -60.026 Base-Backbone interact. energy: -0.161 local terms energy: -60.677257 where: bonds (distance) C4'-P energy: -11.631 bonds (distance) P-C4' energy: -11.784 flat angles C4'-P-C4' energy: -12.273 flat angles P-C4'-P energy: -9.923 tors. eta vs tors. theta energy: -15.067 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: 5, replica: 6 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -193.247644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.247644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.247644 (E_RNA) where: Base-Base interactions energy: -133.405 where: short stacking energy: -55.919 Base-Backbone interact. energy: -0.005 local terms energy: -59.837026 where: bonds (distance) C4'-P energy: -12.104 bonds (distance) P-C4' energy: -14.515 flat angles C4'-P-C4' energy: -12.237 flat angles P-C4'-P energy: -10.794 tors. eta vs tors. theta energy: -10.187 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: 6, replica: 3 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -180.579436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.579436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.579436 (E_RNA) where: Base-Base interactions energy: -121.582 where: short stacking energy: -43.298 Base-Backbone interact. energy: 1.274 local terms energy: -60.271733 where: bonds (distance) C4'-P energy: -13.913 bonds (distance) P-C4' energy: -13.457 flat angles C4'-P-C4' energy: -15.215 flat angles P-C4'-P energy: -9.260 tors. eta vs tors. theta energy: -8.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -191.566472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.566472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.566472 (E_RNA) where: Base-Base interactions energy: -130.064 where: short stacking energy: -59.436 Base-Backbone interact. energy: -0.001 local terms energy: -61.501104 where: bonds (distance) C4'-P energy: -13.471 bonds (distance) P-C4' energy: -11.287 flat angles C4'-P-C4' energy: -10.552 flat angles P-C4'-P energy: -7.593 tors. eta vs tors. theta energy: -18.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -88.676542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.676542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.676542 (E_RNA) where: Base-Base interactions energy: -25.339 where: short stacking energy: -25.339 Base-Backbone interact. energy: -0.044 local terms energy: -63.293286 where: bonds (distance) C4'-P energy: -15.007 bonds (distance) P-C4' energy: -15.250 flat angles C4'-P-C4' energy: -12.522 flat angles P-C4'-P energy: -12.953 tors. eta vs tors. theta energy: -7.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -89.754375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.754375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.754375 (E_RNA) where: Base-Base interactions energy: -31.042 where: short stacking energy: -28.624 Base-Backbone interact. energy: -0.416 local terms energy: -58.296710 where: bonds (distance) C4'-P energy: -15.901 bonds (distance) P-C4' energy: -13.941 flat angles C4'-P-C4' energy: -11.707 flat angles P-C4'-P energy: -10.207 tors. eta vs tors. theta energy: -6.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -88.385210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.385210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.385210 (E_RNA) where: Base-Base interactions energy: -34.068 where: short stacking energy: -34.068 Base-Backbone interact. energy: -0.106 local terms energy: -54.210799 where: bonds (distance) C4'-P energy: -15.930 bonds (distance) P-C4' energy: -12.841 flat angles C4'-P-C4' energy: -14.475 flat angles P-C4'-P energy: -8.144 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: 1, replica: 1 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -207.016405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.016405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.016405 (E_RNA) where: Base-Base interactions energy: -139.003 where: short stacking energy: -61.229 Base-Backbone interact. energy: -0.433 local terms energy: -67.580135 where: bonds (distance) C4'-P energy: -10.746 bonds (distance) P-C4' energy: -16.516 flat angles C4'-P-C4' energy: -15.156 flat angles P-C4'-P energy: -11.615 tors. eta vs tors. theta energy: -13.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -217.190809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.190809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.190809 (E_RNA) where: Base-Base interactions energy: -146.558 where: short stacking energy: -58.454 Base-Backbone interact. energy: -0.074 local terms energy: -70.557904 where: bonds (distance) C4'-P energy: -14.565 bonds (distance) P-C4' energy: -18.035 flat angles C4'-P-C4' energy: -17.278 flat angles P-C4'-P energy: -6.061 tors. eta vs tors. theta energy: -14.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -181.518495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.518495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.518495 (E_RNA) where: Base-Base interactions energy: -118.116 where: short stacking energy: -62.615 Base-Backbone interact. energy: -0.023 local terms energy: -63.379758 where: bonds (distance) C4'-P energy: -11.496 bonds (distance) P-C4' energy: -15.483 flat angles C4'-P-C4' energy: -14.210 flat angles P-C4'-P energy: -8.815 tors. eta vs tors. theta energy: -13.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -185.482654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.482654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.482654 (E_RNA) where: Base-Base interactions energy: -119.530 where: short stacking energy: -57.573 Base-Backbone interact. energy: -0.065 local terms energy: -65.887334 where: bonds (distance) C4'-P energy: -9.695 bonds (distance) P-C4' energy: -14.532 flat angles C4'-P-C4' energy: -16.307 flat angles P-C4'-P energy: -9.165 tors. eta vs tors. theta energy: -16.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -198.488003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.488003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.488003 (E_RNA) where: Base-Base interactions energy: -132.193 where: short stacking energy: -48.412 Base-Backbone interact. energy: -0.154 local terms energy: -66.140521 where: bonds (distance) C4'-P energy: -12.104 bonds (distance) P-C4' energy: -15.174 flat angles C4'-P-C4' energy: -13.739 flat angles P-C4'-P energy: -10.271 tors. eta vs tors. theta energy: -14.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -173.106843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.106843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.106843 (E_RNA) where: Base-Base interactions energy: -118.560 where: short stacking energy: -43.743 Base-Backbone interact. energy: -0.113 local terms energy: -54.433749 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -13.493 flat angles C4'-P-C4' energy: -15.113 flat angles P-C4'-P energy: -7.048 tors. eta vs tors. theta energy: -10.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -170.423495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.423495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.423495 (E_RNA) where: Base-Base interactions energy: -108.845 where: short stacking energy: -49.149 Base-Backbone interact. energy: -0.006 local terms energy: -61.572251 where: bonds (distance) C4'-P energy: -11.712 bonds (distance) P-C4' energy: -15.519 flat angles C4'-P-C4' energy: -15.285 flat angles P-C4'-P energy: -10.165 tors. eta vs tors. theta energy: -8.891 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: 9 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -89.640253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.640253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.640253 (E_RNA) where: Base-Base interactions energy: -32.324 where: short stacking energy: -31.348 Base-Backbone interact. energy: -0.105 local terms energy: -57.210623 where: bonds (distance) C4'-P energy: -16.212 bonds (distance) P-C4' energy: -13.324 flat angles C4'-P-C4' energy: -14.682 flat angles P-C4'-P energy: -3.281 tors. eta vs tors. theta energy: -9.711 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: 5 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -91.224036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.224036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.224036 (E_RNA) where: Base-Base interactions energy: -38.977 where: short stacking energy: -34.380 Base-Backbone interact. energy: -0.057 local terms energy: -52.190061 where: bonds (distance) C4'-P energy: -12.481 bonds (distance) P-C4' energy: -13.514 flat angles C4'-P-C4' energy: -12.074 flat angles P-C4'-P energy: -9.629 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: 10, replica: 2 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -73.254402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.254402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.254402 (E_RNA) where: Base-Base interactions energy: -26.044 where: short stacking energy: -16.070 Base-Backbone interact. energy: -1.046 local terms energy: -46.164600 where: bonds (distance) C4'-P energy: -12.789 bonds (distance) P-C4' energy: -15.103 flat angles C4'-P-C4' energy: -12.940 flat angles P-C4'-P energy: -2.312 tors. eta vs tors. theta energy: -3.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -205.073410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.073410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.073410 (E_RNA) where: Base-Base interactions energy: -144.713 where: short stacking energy: -53.394 Base-Backbone interact. energy: -0.120 local terms energy: -60.240380 where: bonds (distance) C4'-P energy: -15.628 bonds (distance) P-C4' energy: -11.800 flat angles C4'-P-C4' energy: -12.045 flat angles P-C4'-P energy: -8.367 tors. eta vs tors. theta energy: -12.401 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: 453 Temperature: 0.950000 Total energy: -214.003469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.003469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.003469 (E_RNA) where: Base-Base interactions energy: -144.962 where: short stacking energy: -58.059 Base-Backbone interact. energy: -0.376 local terms energy: -68.665520 where: bonds (distance) C4'-P energy: -12.461 bonds (distance) P-C4' energy: -14.425 flat angles C4'-P-C4' energy: -16.466 flat angles P-C4'-P energy: -7.155 tors. eta vs tors. theta energy: -18.159 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: 10 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -184.102191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.102191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.102191 (E_RNA) where: Base-Base interactions energy: -124.724 where: short stacking energy: -60.862 Base-Backbone interact. energy: -0.189 local terms energy: -59.188996 where: bonds (distance) C4'-P energy: -11.971 bonds (distance) P-C4' energy: -13.750 flat angles C4'-P-C4' energy: -14.959 flat angles P-C4'-P energy: -4.145 tors. eta vs tors. theta energy: -14.364 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: 6 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -204.441942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.441942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.441942 (E_RNA) where: Base-Base interactions energy: -136.671 where: short stacking energy: -55.368 Base-Backbone interact. energy: -0.176 local terms energy: -67.595213 where: bonds (distance) C4'-P energy: -12.588 bonds (distance) P-C4' energy: -13.514 flat angles C4'-P-C4' energy: -15.441 flat angles P-C4'-P energy: -7.938 tors. eta vs tors. theta energy: -18.114 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: 453 Temperature: 1.100000 Total energy: -189.252570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.252570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.252570 (E_RNA) where: Base-Base interactions energy: -121.170 where: short stacking energy: -52.506 Base-Backbone interact. energy: -0.569 local terms energy: -67.513366 where: bonds (distance) C4'-P energy: -14.705 bonds (distance) P-C4' energy: -14.169 flat angles C4'-P-C4' energy: -13.938 flat angles P-C4'-P energy: -9.543 tors. eta vs tors. theta energy: -15.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -180.676016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.676016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.676016 (E_RNA) where: Base-Base interactions energy: -113.683 where: short stacking energy: -51.300 Base-Backbone interact. energy: -0.032 local terms energy: -66.960751 where: bonds (distance) C4'-P energy: -12.704 bonds (distance) P-C4' energy: -14.034 flat angles C4'-P-C4' energy: -13.593 flat angles P-C4'-P energy: -11.939 tors. eta vs tors. theta energy: -14.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -154.015857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.015857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.015857 (E_RNA) where: Base-Base interactions energy: -101.774 where: short stacking energy: -43.797 Base-Backbone interact. energy: -0.249 local terms energy: -51.992638 where: bonds (distance) C4'-P energy: -15.818 bonds (distance) P-C4' energy: -8.540 flat angles C4'-P-C4' energy: -13.426 flat angles P-C4'-P energy: -6.347 tors. eta vs tors. theta energy: -7.861 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: 9 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -98.190190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.190190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.190190 (E_RNA) where: Base-Base interactions energy: -46.852 where: short stacking energy: -36.557 Base-Backbone interact. energy: 0.075 local terms energy: -51.413521 where: bonds (distance) C4'-P energy: -12.204 bonds (distance) P-C4' energy: -12.431 flat angles C4'-P-C4' energy: -13.960 flat angles P-C4'-P energy: -8.169 tors. eta vs tors. theta energy: -4.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -76.121659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.121659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.121659 (E_RNA) where: Base-Base interactions energy: -26.474 where: short stacking energy: -23.905 Base-Backbone interact. energy: -0.062 local terms energy: -49.586333 where: bonds (distance) C4'-P energy: -11.753 bonds (distance) P-C4' energy: -16.400 flat angles C4'-P-C4' energy: -12.098 flat angles P-C4'-P energy: -8.487 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: 10, replica: 2 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -82.913912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.913912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.913912 (E_RNA) where: Base-Base interactions energy: -42.431 where: short stacking energy: -38.880 Base-Backbone interact. energy: -0.086 local terms energy: -40.396690 where: bonds (distance) C4'-P energy: -11.288 bonds (distance) P-C4' energy: -12.026 flat angles C4'-P-C4' energy: -8.672 flat angles P-C4'-P energy: -2.179 tors. eta vs tors. theta energy: -6.231 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: 1 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -206.920925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.920925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.920925 (E_RNA) where: Base-Base interactions energy: -139.300 where: short stacking energy: -57.473 Base-Backbone interact. energy: -0.042 local terms energy: -67.578742 where: bonds (distance) C4'-P energy: -11.841 bonds (distance) P-C4' energy: -16.808 flat angles C4'-P-C4' energy: -16.572 flat angles P-C4'-P energy: -9.085 tors. eta vs tors. theta energy: -13.273 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: 4 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -190.108766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.108766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.108766 (E_RNA) where: Base-Base interactions energy: -117.734 where: short stacking energy: -59.707 Base-Backbone interact. energy: -0.082 local terms energy: -72.293238 where: bonds (distance) C4'-P energy: -14.476 bonds (distance) P-C4' energy: -15.945 flat angles C4'-P-C4' energy: -14.525 flat angles P-C4'-P energy: -10.029 tors. eta vs tors. theta energy: -17.318 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: 6 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -205.853998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.853998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.853998 (E_RNA) where: Base-Base interactions energy: -140.509 where: short stacking energy: -65.140 Base-Backbone interact. energy: -0.101 local terms energy: -65.243658 where: bonds (distance) C4'-P energy: -12.212 bonds (distance) P-C4' energy: -15.702 flat angles C4'-P-C4' energy: -13.849 flat angles P-C4'-P energy: -10.059 tors. eta vs tors. theta energy: -13.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -194.436066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.436066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.436066 (E_RNA) where: Base-Base interactions energy: -127.837 where: short stacking energy: -61.956 Base-Backbone interact. energy: 0.543 local terms energy: -67.142045 where: bonds (distance) C4'-P energy: -17.131 bonds (distance) P-C4' energy: -13.585 flat angles C4'-P-C4' energy: -12.964 flat angles P-C4'-P energy: -8.465 tors. eta vs tors. theta energy: -14.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -194.442791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.442791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.442791 (E_RNA) where: Base-Base interactions energy: -128.612 where: short stacking energy: -52.836 Base-Backbone interact. energy: -0.199 local terms energy: -65.631891 where: bonds (distance) C4'-P energy: -13.717 bonds (distance) P-C4' energy: -17.523 flat angles C4'-P-C4' energy: -11.260 flat angles P-C4'-P energy: -7.419 tors. eta vs tors. theta energy: -15.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -185.239145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.239145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.239145 (E_RNA) where: Base-Base interactions energy: -130.319 where: short stacking energy: -45.979 Base-Backbone interact. energy: -0.194 local terms energy: -54.726028 where: bonds (distance) C4'-P energy: -9.775 bonds (distance) P-C4' energy: -11.068 flat angles C4'-P-C4' energy: -13.256 flat angles P-C4'-P energy: -10.925 tors. eta vs tors. theta energy: -9.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -81.927542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.927542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.927542 (E_RNA) where: Base-Base interactions energy: -30.346 where: short stacking energy: -30.346 Base-Backbone interact. energy: -0.277 local terms energy: -51.304315 where: bonds (distance) C4'-P energy: -12.217 bonds (distance) P-C4' energy: -16.241 flat angles C4'-P-C4' energy: -12.683 flat angles P-C4'-P energy: -5.655 tors. eta vs tors. theta energy: -4.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -152.637423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.637423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.637423 (E_RNA) where: Base-Base interactions energy: -101.522 where: short stacking energy: -38.926 Base-Backbone interact. energy: -0.644 local terms energy: -50.471908 where: bonds (distance) C4'-P energy: -12.647 bonds (distance) P-C4' energy: -10.394 flat angles C4'-P-C4' energy: -14.602 flat angles P-C4'-P energy: -5.998 tors. eta vs tors. theta energy: -6.831 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: 5 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -78.609581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.609581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.609581 (E_RNA) where: Base-Base interactions energy: -39.707 where: short stacking energy: -34.333 Base-Backbone interact. energy: -0.932 local terms energy: -37.970286 where: bonds (distance) C4'-P energy: -10.801 bonds (distance) P-C4' energy: -10.675 flat angles C4'-P-C4' energy: -9.134 flat angles P-C4'-P energy: -4.748 tors. eta vs tors. theta energy: -2.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -78.181885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.181885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.181885 (E_RNA) where: Base-Base interactions energy: -33.985 where: short stacking energy: -29.137 Base-Backbone interact. energy: -0.073 local terms energy: -44.123976 where: bonds (distance) C4'-P energy: -8.210 bonds (distance) P-C4' energy: -12.852 flat angles C4'-P-C4' energy: -11.462 flat angles P-C4'-P energy: -8.644 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: 1, replica: 1 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -215.368223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.368223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.368223 (E_RNA) where: Base-Base interactions energy: -143.985 where: short stacking energy: -55.942 Base-Backbone interact. energy: -0.033 local terms energy: -71.350959 where: bonds (distance) C4'-P energy: -16.659 bonds (distance) P-C4' energy: -14.295 flat angles C4'-P-C4' energy: -14.289 flat angles P-C4'-P energy: -10.533 tors. eta vs tors. theta energy: -15.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -201.408462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.408462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.408462 (E_RNA) where: Base-Base interactions energy: -137.802 where: short stacking energy: -59.667 Base-Backbone interact. energy: -0.007 local terms energy: -63.599608 where: bonds (distance) C4'-P energy: -9.863 bonds (distance) P-C4' energy: -12.641 flat angles C4'-P-C4' energy: -14.903 flat angles P-C4'-P energy: -11.699 tors. eta vs tors. theta energy: -14.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -181.895620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.895620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.895620 (E_RNA) where: Base-Base interactions energy: -122.211 where: short stacking energy: -57.952 Base-Backbone interact. energy: -0.152 local terms energy: -59.532695 where: bonds (distance) C4'-P energy: -10.929 bonds (distance) P-C4' energy: -13.737 flat angles C4'-P-C4' energy: -13.140 flat angles P-C4'-P energy: -9.271 tors. eta vs tors. theta energy: -12.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -208.384614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.384614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.384614 (E_RNA) where: Base-Base interactions energy: -151.164 where: short stacking energy: -53.301 Base-Backbone interact. energy: -0.328 local terms energy: -56.892156 where: bonds (distance) C4'-P energy: -11.517 bonds (distance) P-C4' energy: -15.762 flat angles C4'-P-C4' energy: -11.098 flat angles P-C4'-P energy: -4.520 tors. eta vs tors. theta energy: -13.995 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: 10 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -184.253041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.253041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.253041 (E_RNA) where: Base-Base interactions energy: -124.635 where: short stacking energy: -57.688 Base-Backbone interact. energy: -0.002 local terms energy: -59.616270 where: bonds (distance) C4'-P energy: -13.487 bonds (distance) P-C4' energy: -12.711 flat angles C4'-P-C4' energy: -14.608 flat angles P-C4'-P energy: -5.503 tors. eta vs tors. theta energy: -13.309 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: 7 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -183.140901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.140901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.140901 (E_RNA) where: Base-Base interactions energy: -120.465 where: short stacking energy: -50.383 Base-Backbone interact. energy: -0.075 local terms energy: -62.601530 where: bonds (distance) C4'-P energy: -13.863 bonds (distance) P-C4' energy: -16.214 flat angles C4'-P-C4' energy: -13.754 flat angles P-C4'-P energy: -7.079 tors. eta vs tors. theta energy: -11.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -93.271848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.271848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.271848 (E_RNA) where: Base-Base interactions energy: -30.430 where: short stacking energy: -30.430 Base-Backbone interact. energy: -0.074 local terms energy: -62.768209 where: bonds (distance) C4'-P energy: -12.974 bonds (distance) P-C4' energy: -16.637 flat angles C4'-P-C4' energy: -13.900 flat angles P-C4'-P energy: -8.234 tors. eta vs tors. theta energy: -11.023 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: 3 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -145.250185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.250185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.250185 (E_RNA) where: Base-Base interactions energy: -95.051 where: short stacking energy: -39.696 Base-Backbone interact. energy: -0.022 local terms energy: -50.177549 where: bonds (distance) C4'-P energy: -13.166 bonds (distance) P-C4' energy: -14.794 flat angles C4'-P-C4' energy: -8.924 flat angles P-C4'-P energy: -7.873 tors. eta vs tors. theta energy: -5.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -66.980339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.980339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.980339 (E_RNA) where: Base-Base interactions energy: -32.569 where: short stacking energy: -32.012 Base-Backbone interact. energy: 1.541 local terms energy: -35.952483 where: bonds (distance) C4'-P energy: -11.206 bonds (distance) P-C4' energy: -8.299 flat angles C4'-P-C4' energy: -9.014 flat angles P-C4'-P energy: -8.292 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: 10, replica: 2 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -74.756617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.756617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.756617 (E_RNA) where: Base-Base interactions energy: -36.063 where: short stacking energy: -27.589 Base-Backbone interact. energy: 1.671 local terms energy: -40.364555 where: bonds (distance) C4'-P energy: -12.382 bonds (distance) P-C4' energy: -14.716 flat angles C4'-P-C4' energy: -5.383 flat angles P-C4'-P energy: -5.088 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: 1, replica: 1 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -209.248184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.248184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.248184 (E_RNA) where: Base-Base interactions energy: -138.956 where: short stacking energy: -64.876 Base-Backbone interact. energy: 0.156 local terms energy: -70.448416 where: bonds (distance) C4'-P energy: -15.246 bonds (distance) P-C4' energy: -13.441 flat angles C4'-P-C4' energy: -12.376 flat angles P-C4'-P energy: -8.885 tors. eta vs tors. theta energy: -20.502 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: 4 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -205.876457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.876457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.876457 (E_RNA) where: Base-Base interactions energy: -134.895 where: short stacking energy: -58.740 Base-Backbone interact. energy: -0.631 local terms energy: -70.350197 where: bonds (distance) C4'-P energy: -15.057 bonds (distance) P-C4' energy: -11.971 flat angles C4'-P-C4' energy: -17.256 flat angles P-C4'-P energy: -9.058 tors. eta vs tors. theta energy: -17.008 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: 456 Temperature: 1.000000 Total energy: -215.152722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.152722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.152722 (E_RNA) where: Base-Base interactions energy: -148.963 where: short stacking energy: -63.298 Base-Backbone interact. energy: -0.243 local terms energy: -65.946962 where: bonds (distance) C4'-P energy: -14.017 bonds (distance) P-C4' energy: -10.373 flat angles C4'-P-C4' energy: -14.774 flat angles P-C4'-P energy: -11.683 tors. eta vs tors. theta energy: -15.100 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: 456 Temperature: 1.050000 Total energy: -192.404183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.404183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.404183 (E_RNA) where: Base-Base interactions energy: -123.562 where: short stacking energy: -61.365 Base-Backbone interact. energy: -0.131 local terms energy: -68.711395 where: bonds (distance) C4'-P energy: -13.512 bonds (distance) P-C4' energy: -13.807 flat angles C4'-P-C4' energy: -14.837 flat angles P-C4'-P energy: -12.703 tors. eta vs tors. theta energy: -13.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -182.434193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.434193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.434193 (E_RNA) where: Base-Base interactions energy: -122.690 where: short stacking energy: -44.976 Base-Backbone interact. energy: -0.066 local terms energy: -59.677703 where: bonds (distance) C4'-P energy: -14.447 bonds (distance) P-C4' energy: -14.162 flat angles C4'-P-C4' energy: -12.572 flat angles P-C4'-P energy: -9.529 tors. eta vs tors. theta energy: -8.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -176.162519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.162519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.162519 (E_RNA) where: Base-Base interactions energy: -115.745 where: short stacking energy: -49.857 Base-Backbone interact. energy: 0.583 local terms energy: -61.000288 where: bonds (distance) C4'-P energy: -15.026 bonds (distance) P-C4' energy: -13.260 flat angles C4'-P-C4' energy: -10.894 flat angles P-C4'-P energy: -7.980 tors. eta vs tors. theta energy: -13.839 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: 7, replica: 3 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -137.907884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.907884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.907884 (E_RNA) where: Base-Base interactions energy: -80.372 where: short stacking energy: -46.311 Base-Backbone interact. energy: -0.099 local terms energy: -57.436237 where: bonds (distance) C4'-P energy: -13.186 bonds (distance) P-C4' energy: -13.881 flat angles C4'-P-C4' energy: -11.842 flat angles P-C4'-P energy: -11.395 tors. eta vs tors. theta energy: -7.132 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: 9 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -84.411894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.411894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.411894 (E_RNA) where: Base-Base interactions energy: -35.906 where: short stacking energy: -33.254 Base-Backbone interact. energy: -0.145 local terms energy: -48.360426 where: bonds (distance) C4'-P energy: -6.904 bonds (distance) P-C4' energy: -12.549 flat angles C4'-P-C4' energy: -15.416 flat angles P-C4'-P energy: -9.370 tors. eta vs tors. theta energy: -4.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -81.896786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.896786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.896786 (E_RNA) where: Base-Base interactions energy: -36.952 where: short stacking energy: -36.952 Base-Backbone interact. energy: -0.033 local terms energy: -44.911848 where: bonds (distance) C4'-P energy: -7.968 bonds (distance) P-C4' energy: -10.366 flat angles C4'-P-C4' energy: -13.429 flat angles P-C4'-P energy: -8.130 tors. eta vs tors. theta energy: -5.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -83.076647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.076647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.076647 (E_RNA) where: Base-Base interactions energy: -40.083 where: short stacking energy: -24.128 Base-Backbone interact. energy: -1.344 local terms energy: -41.649668 where: bonds (distance) C4'-P energy: -12.164 bonds (distance) P-C4' energy: -9.799 flat angles C4'-P-C4' energy: -11.593 flat angles P-C4'-P energy: -7.080 tors. eta vs tors. theta energy: -1.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -221.466116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.466116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.466116 (E_RNA) where: Base-Base interactions energy: -146.087 where: short stacking energy: -58.460 Base-Backbone interact. energy: -0.302 local terms energy: -75.077103 where: bonds (distance) C4'-P energy: -16.678 bonds (distance) P-C4' energy: -15.311 flat angles C4'-P-C4' energy: -12.675 flat angles P-C4'-P energy: -10.985 tors. eta vs tors. theta energy: -19.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -216.655878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.655878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.655878 (E_RNA) where: Base-Base interactions energy: -151.697 where: short stacking energy: -55.266 Base-Backbone interact. energy: -0.297 local terms energy: -64.661293 where: bonds (distance) C4'-P energy: -11.451 bonds (distance) P-C4' energy: -15.399 flat angles C4'-P-C4' energy: -15.655 flat angles P-C4'-P energy: -8.721 tors. eta vs tors. theta energy: -13.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -204.995730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.995730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.995730 (E_RNA) where: Base-Base interactions energy: -138.386 where: short stacking energy: -70.051 Base-Backbone interact. energy: -0.023 local terms energy: -66.586667 where: bonds (distance) C4'-P energy: -15.628 bonds (distance) P-C4' energy: -11.979 flat angles C4'-P-C4' energy: -11.495 flat angles P-C4'-P energy: -6.745 tors. eta vs tors. theta energy: -20.739 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: 10 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -195.557258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.557258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.557258 (E_RNA) where: Base-Base interactions energy: -126.756 where: short stacking energy: -57.414 Base-Backbone interact. energy: -0.783 local terms energy: -68.018182 where: bonds (distance) C4'-P energy: -12.265 bonds (distance) P-C4' energy: -15.385 flat angles C4'-P-C4' energy: -10.295 flat angles P-C4'-P energy: -13.831 tors. eta vs tors. theta energy: -16.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -183.747193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.747193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.747193 (E_RNA) where: Base-Base interactions energy: -130.216 where: short stacking energy: -57.119 Base-Backbone interact. energy: -0.052 local terms energy: -53.479031 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -12.456 flat angles C4'-P-C4' energy: -14.207 flat angles P-C4'-P energy: -7.620 tors. eta vs tors. theta energy: -13.422 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: 3 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -146.858670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.858670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.858670 (E_RNA) where: Base-Base interactions energy: -89.431 where: short stacking energy: -43.968 Base-Backbone interact. energy: -0.356 local terms energy: -57.071644 where: bonds (distance) C4'-P energy: -10.797 bonds (distance) P-C4' energy: -16.442 flat angles C4'-P-C4' energy: -11.908 flat angles P-C4'-P energy: -7.961 tors. eta vs tors. theta energy: -9.964 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: 7 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -183.289811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.289811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.289811 (E_RNA) where: Base-Base interactions energy: -127.162 where: short stacking energy: -59.833 Base-Backbone interact. energy: -0.041 local terms energy: -56.087552 where: bonds (distance) C4'-P energy: -11.798 bonds (distance) P-C4' energy: -11.193 flat angles C4'-P-C4' energy: -11.522 flat angles P-C4'-P energy: -10.100 tors. eta vs tors. theta energy: -11.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -85.280098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.280098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.280098 (E_RNA) where: Base-Base interactions energy: -26.849 where: short stacking energy: -25.407 Base-Backbone interact. energy: 0.987 local terms energy: -59.417653 where: bonds (distance) C4'-P energy: -12.353 bonds (distance) P-C4' energy: -16.544 flat angles C4'-P-C4' energy: -15.754 flat angles P-C4'-P energy: -10.433 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: 9, replica: 9 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -74.843100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.843100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.843100 (E_RNA) where: Base-Base interactions energy: -26.694 where: short stacking energy: -26.694 Base-Backbone interact. energy: -0.511 local terms energy: -47.638458 where: bonds (distance) C4'-P energy: -9.720 bonds (distance) P-C4' energy: -14.554 flat angles C4'-P-C4' energy: -11.666 flat angles P-C4'-P energy: -10.084 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: 5 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -88.498268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.498268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.498268 (E_RNA) where: Base-Base interactions energy: -36.972 where: short stacking energy: -36.200 Base-Backbone interact. energy: -0.047 local terms energy: -51.478636 where: bonds (distance) C4'-P energy: -12.175 bonds (distance) P-C4' energy: -13.306 flat angles C4'-P-C4' energy: -9.752 flat angles P-C4'-P energy: -7.506 tors. eta vs tors. theta energy: -8.740 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: 1, replica: 8 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -218.103799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.103799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.103799 (E_RNA) where: Base-Base interactions energy: -149.587 where: short stacking energy: -55.670 Base-Backbone interact. energy: 0.608 local terms energy: -69.125374 where: bonds (distance) C4'-P energy: -15.516 bonds (distance) P-C4' energy: -16.197 flat angles C4'-P-C4' energy: -15.653 flat angles P-C4'-P energy: -8.933 tors. eta vs tors. theta energy: -12.826 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: 2, replica: 1 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -219.323030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.323030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.323030 (E_RNA) where: Base-Base interactions energy: -156.456 where: short stacking energy: -63.559 Base-Backbone interact. energy: -0.519 local terms energy: -62.348512 where: bonds (distance) C4'-P energy: -16.072 bonds (distance) P-C4' energy: -3.965 flat angles C4'-P-C4' energy: -13.451 flat angles P-C4'-P energy: -7.812 tors. eta vs tors. theta energy: -21.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -209.492157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.492157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.492157 (E_RNA) where: Base-Base interactions energy: -145.545 where: short stacking energy: -55.741 Base-Backbone interact. energy: -0.754 local terms energy: -63.193547 where: bonds (distance) C4'-P energy: -14.394 bonds (distance) P-C4' energy: -11.858 flat angles C4'-P-C4' energy: -13.641 flat angles P-C4'-P energy: -10.720 tors. eta vs tors. theta energy: -12.581 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: 4, replica: 4 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -199.143134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.143134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.143134 (E_RNA) where: Base-Base interactions energy: -132.337 where: short stacking energy: -64.650 Base-Backbone interact. energy: -0.006 local terms energy: -66.800271 where: bonds (distance) C4'-P energy: -13.459 bonds (distance) P-C4' energy: -14.373 flat angles C4'-P-C4' energy: -14.630 flat angles P-C4'-P energy: -7.665 tors. eta vs tors. theta energy: -16.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -187.555997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.555997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.555997 (E_RNA) where: Base-Base interactions energy: -123.995 where: short stacking energy: -48.520 Base-Backbone interact. energy: -0.233 local terms energy: -63.328810 where: bonds (distance) C4'-P energy: -16.129 bonds (distance) P-C4' energy: -16.256 flat angles C4'-P-C4' energy: -14.102 flat angles P-C4'-P energy: -10.445 tors. eta vs tors. theta energy: -6.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -154.264434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.264434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.264434 (E_RNA) where: Base-Base interactions energy: -93.036 where: short stacking energy: -44.295 Base-Backbone interact. energy: 0.492 local terms energy: -61.720427 where: bonds (distance) C4'-P energy: -14.146 bonds (distance) P-C4' energy: -14.142 flat angles C4'-P-C4' energy: -11.992 flat angles P-C4'-P energy: -9.172 tors. eta vs tors. theta energy: -12.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -167.804982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.804982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.804982 (E_RNA) where: Base-Base interactions energy: -112.382 where: short stacking energy: -47.260 Base-Backbone interact. energy: -0.898 local terms energy: -54.525253 where: bonds (distance) C4'-P energy: -14.641 bonds (distance) P-C4' energy: -10.387 flat angles C4'-P-C4' energy: -13.187 flat angles P-C4'-P energy: -4.009 tors. eta vs tors. theta energy: -12.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -112.509252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.509252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.509252 (E_RNA) where: Base-Base interactions energy: -51.334 where: short stacking energy: -32.794 Base-Backbone interact. energy: -0.090 local terms energy: -61.085354 where: bonds (distance) C4'-P energy: -16.225 bonds (distance) P-C4' energy: -15.315 flat angles C4'-P-C4' energy: -12.251 flat angles P-C4'-P energy: -5.774 tors. eta vs tors. theta energy: -11.522 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: 9, replica: 5 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -90.203221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.203221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.203221 (E_RNA) where: Base-Base interactions energy: -49.985 where: short stacking energy: -7.464 Base-Backbone interact. energy: -0.011 local terms energy: -40.207140 where: bonds (distance) C4'-P energy: -13.387 bonds (distance) P-C4' energy: -16.277 flat angles C4'-P-C4' energy: -10.589 flat angles P-C4'-P energy: -5.261 tors. eta vs tors. theta energy: 5.307 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: 9 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -77.239536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.239536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.239536 (E_RNA) where: Base-Base interactions energy: -36.947 where: short stacking energy: -24.350 Base-Backbone interact. energy: -0.047 local terms energy: -40.245631 where: bonds (distance) C4'-P energy: -9.463 bonds (distance) P-C4' energy: -14.293 flat angles C4'-P-C4' energy: -8.243 flat angles P-C4'-P energy: -7.571 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: 8 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -217.877029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.877029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.877029 (E_RNA) where: Base-Base interactions energy: -150.171 where: short stacking energy: -60.124 Base-Backbone interact. energy: -0.288 local terms energy: -67.418673 where: bonds (distance) C4'-P energy: -16.667 bonds (distance) P-C4' energy: -11.386 flat angles C4'-P-C4' energy: -14.482 flat angles P-C4'-P energy: -10.847 tors. eta vs tors. theta energy: -14.037 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: 1 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -207.557955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.557955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.557955 (E_RNA) where: Base-Base interactions energy: -148.164 where: short stacking energy: -50.176 Base-Backbone interact. energy: -0.088 local terms energy: -59.305302 where: bonds (distance) C4'-P energy: -13.736 bonds (distance) P-C4' energy: -13.953 flat angles C4'-P-C4' energy: -12.774 flat angles P-C4'-P energy: -6.050 tors. eta vs tors. theta energy: -12.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -200.907132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.907132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.907132 (E_RNA) where: Base-Base interactions energy: -138.102 where: short stacking energy: -53.277 Base-Backbone interact. energy: -0.536 local terms energy: -62.269752 where: bonds (distance) C4'-P energy: -13.710 bonds (distance) P-C4' energy: -13.103 flat angles C4'-P-C4' energy: -13.693 flat angles P-C4'-P energy: -8.692 tors. eta vs tors. theta energy: -13.072 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: 4, replica: 4 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -178.591648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.591648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.591648 (E_RNA) where: Base-Base interactions energy: -118.633 where: short stacking energy: -52.943 Base-Backbone interact. energy: -0.459 local terms energy: -59.500067 where: bonds (distance) C4'-P energy: -9.553 bonds (distance) P-C4' energy: -14.650 flat angles C4'-P-C4' energy: -11.471 flat angles P-C4'-P energy: -10.052 tors. eta vs tors. theta energy: -13.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -176.591918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.591918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.591918 (E_RNA) where: Base-Base interactions energy: -112.998 where: short stacking energy: -39.812 Base-Backbone interact. energy: -0.393 local terms energy: -63.201126 where: bonds (distance) C4'-P energy: -14.339 bonds (distance) P-C4' energy: -17.992 flat angles C4'-P-C4' energy: -12.052 flat angles P-C4'-P energy: -10.420 tors. eta vs tors. theta energy: -8.398 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: 459 Temperature: 1.150000 Total energy: -180.944336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.944336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.944336 (E_RNA) where: Base-Base interactions energy: -117.020 where: short stacking energy: -53.839 Base-Backbone interact. energy: -0.002 local terms energy: -63.922995 where: bonds (distance) C4'-P energy: -13.587 bonds (distance) P-C4' energy: -12.533 flat angles C4'-P-C4' energy: -10.417 flat angles P-C4'-P energy: -10.281 tors. eta vs tors. theta energy: -17.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -165.257753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.257753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.257753 (E_RNA) where: Base-Base interactions energy: -113.072 where: short stacking energy: -50.455 Base-Backbone interact. energy: -0.070 local terms energy: -52.115526 where: bonds (distance) C4'-P energy: -12.704 bonds (distance) P-C4' energy: -11.542 flat angles C4'-P-C4' energy: -11.751 flat angles P-C4'-P energy: -6.262 tors. eta vs tors. theta energy: -9.857 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: 459 Temperature: 1.250000 Total energy: -114.068619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.068619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.068619 (E_RNA) where: Base-Base interactions energy: -68.060 where: short stacking energy: -31.697 Base-Backbone interact. energy: -0.183 local terms energy: -45.826047 where: bonds (distance) C4'-P energy: -14.555 bonds (distance) P-C4' energy: -7.583 flat angles C4'-P-C4' energy: -7.357 flat angles P-C4'-P energy: -11.359 tors. eta vs tors. theta energy: -4.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -88.763961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.763961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.763961 (E_RNA) where: Base-Base interactions energy: -51.470 where: short stacking energy: -14.442 Base-Backbone interact. energy: -1.192 local terms energy: -36.102169 where: bonds (distance) C4'-P energy: -9.430 bonds (distance) P-C4' energy: -11.148 flat angles C4'-P-C4' energy: -14.491 flat angles P-C4'-P energy: -4.150 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: 10, replica: 9 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -77.446827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.446827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.446827 (E_RNA) where: Base-Base interactions energy: -29.141 where: short stacking energy: -21.742 Base-Backbone interact. energy: 0.295 local terms energy: -48.600786 where: bonds (distance) C4'-P energy: -8.080 bonds (distance) P-C4' energy: -16.470 flat angles C4'-P-C4' energy: -13.000 flat angles P-C4'-P energy: -9.213 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: 8 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -217.679417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.679417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.679417 (E_RNA) where: Base-Base interactions energy: -151.360 where: short stacking energy: -55.444 Base-Backbone interact. energy: -0.229 local terms energy: -66.090076 where: bonds (distance) C4'-P energy: -15.473 bonds (distance) P-C4' energy: -14.156 flat angles C4'-P-C4' energy: -15.185 flat angles P-C4'-P energy: -9.041 tors. eta vs tors. theta energy: -12.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -211.864197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.864197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.864197 (E_RNA) where: Base-Base interactions energy: -145.186 where: short stacking energy: -57.794 Base-Backbone interact. energy: -0.149 local terms energy: -66.529645 where: bonds (distance) C4'-P energy: -13.165 bonds (distance) P-C4' energy: -14.493 flat angles C4'-P-C4' energy: -13.676 flat angles P-C4'-P energy: -9.291 tors. eta vs tors. theta energy: -15.905 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: 4 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -193.505573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.505573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.505573 (E_RNA) where: Base-Base interactions energy: -127.358 where: short stacking energy: -53.103 Base-Backbone interact. energy: -0.153 local terms energy: -65.994290 where: bonds (distance) C4'-P energy: -14.494 bonds (distance) P-C4' energy: -14.241 flat angles C4'-P-C4' energy: -14.092 flat angles P-C4'-P energy: -5.567 tors. eta vs tors. theta energy: -17.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -196.650454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.650454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.650454 (E_RNA) where: Base-Base interactions energy: -128.033 where: short stacking energy: -46.574 Base-Backbone interact. energy: -0.760 local terms energy: -67.857360 where: bonds (distance) C4'-P energy: -15.765 bonds (distance) P-C4' energy: -11.652 flat angles C4'-P-C4' energy: -15.286 flat angles P-C4'-P energy: -11.341 tors. eta vs tors. theta energy: -13.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -185.755596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.755596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.755596 (E_RNA) where: Base-Base interactions energy: -129.732 where: short stacking energy: -57.060 Base-Backbone interact. energy: -0.090 local terms energy: -55.934310 where: bonds (distance) C4'-P energy: -15.061 bonds (distance) P-C4' energy: -11.001 flat angles C4'-P-C4' energy: -14.926 flat angles P-C4'-P energy: -4.714 tors. eta vs tors. theta energy: -10.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -157.375958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.375958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.375958 (E_RNA) where: Base-Base interactions energy: -100.628 where: short stacking energy: -46.589 Base-Backbone interact. energy: -0.308 local terms energy: -56.439859 where: bonds (distance) C4'-P energy: -11.403 bonds (distance) P-C4' energy: -15.780 flat angles C4'-P-C4' energy: -11.754 flat angles P-C4'-P energy: -6.633 tors. eta vs tors. theta energy: -10.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -164.589153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.589153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.589153 (E_RNA) where: Base-Base interactions energy: -104.590 where: short stacking energy: -47.147 Base-Backbone interact. energy: -0.147 local terms energy: -59.851756 where: bonds (distance) C4'-P energy: -14.385 bonds (distance) P-C4' energy: -12.130 flat angles C4'-P-C4' energy: -16.965 flat angles P-C4'-P energy: -8.783 tors. eta vs tors. theta energy: -7.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -91.263560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.263560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.263560 (E_RNA) where: Base-Base interactions energy: -34.185 where: short stacking energy: -30.411 Base-Backbone interact. energy: -0.256 local terms energy: -56.822230 where: bonds (distance) C4'-P energy: -16.277 bonds (distance) P-C4' energy: -14.615 flat angles C4'-P-C4' energy: -8.720 flat angles P-C4'-P energy: -10.934 tors. eta vs tors. theta energy: -6.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -79.308315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.308315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.308315 (E_RNA) where: Base-Base interactions energy: -30.547 where: short stacking energy: -30.547 Base-Backbone interact. energy: -0.049 local terms energy: -48.712355 where: bonds (distance) C4'-P energy: -13.910 bonds (distance) P-C4' energy: -12.585 flat angles C4'-P-C4' energy: -16.510 flat angles P-C4'-P energy: -2.201 tors. eta vs tors. theta energy: -3.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -76.887769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.887769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.887769 (E_RNA) where: Base-Base interactions energy: -30.923 where: short stacking energy: -30.923 Base-Backbone interact. energy: -0.624 local terms energy: -45.340475 where: bonds (distance) C4'-P energy: -9.259 bonds (distance) P-C4' energy: -17.059 flat angles C4'-P-C4' energy: -11.247 flat angles P-C4'-P energy: -8.610 tors. eta vs tors. theta energy: 0.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -203.623075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.623075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.623075 (E_RNA) where: Base-Base interactions energy: -136.378 where: short stacking energy: -58.527 Base-Backbone interact. energy: -0.460 local terms energy: -66.785225 where: bonds (distance) C4'-P energy: -14.837 bonds (distance) P-C4' energy: -16.404 flat angles C4'-P-C4' energy: -14.698 flat angles P-C4'-P energy: -6.454 tors. eta vs tors. theta energy: -14.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -215.148921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.148921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.148921 (E_RNA) where: Base-Base interactions energy: -148.378 where: short stacking energy: -53.769 Base-Backbone interact. energy: -0.142 local terms energy: -66.628893 where: bonds (distance) C4'-P energy: -14.071 bonds (distance) P-C4' energy: -16.125 flat angles C4'-P-C4' energy: -14.811 flat angles P-C4'-P energy: -9.962 tors. eta vs tors. theta energy: -11.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -193.081313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.081313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.081313 (E_RNA) where: Base-Base interactions energy: -127.074 where: short stacking energy: -53.147 Base-Backbone interact. energy: -0.027 local terms energy: -65.979390 where: bonds (distance) C4'-P energy: -13.507 bonds (distance) P-C4' energy: -14.896 flat angles C4'-P-C4' energy: -15.635 flat angles P-C4'-P energy: -9.242 tors. eta vs tors. theta energy: -12.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -196.556933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.556933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.556933 (E_RNA) where: Base-Base interactions energy: -128.258 where: short stacking energy: -58.005 Base-Backbone interact. energy: -1.308 local terms energy: -66.990318 where: bonds (distance) C4'-P energy: -14.626 bonds (distance) P-C4' energy: -15.661 flat angles C4'-P-C4' energy: -11.689 flat angles P-C4'-P energy: -9.954 tors. eta vs tors. theta energy: -15.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -173.988585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.988585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.988585 (E_RNA) where: Base-Base interactions energy: -117.748 where: short stacking energy: -47.538 Base-Backbone interact. energy: 0.354 local terms energy: -56.594795 where: bonds (distance) C4'-P energy: -12.078 bonds (distance) P-C4' energy: -14.505 flat angles C4'-P-C4' energy: -14.177 flat angles P-C4'-P energy: -4.053 tors. eta vs tors. theta energy: -11.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -182.776222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.776222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.776222 (E_RNA) where: Base-Base interactions energy: -119.894 where: short stacking energy: -55.035 Base-Backbone interact. energy: 0.818 local terms energy: -63.700406 where: bonds (distance) C4'-P energy: -13.280 bonds (distance) P-C4' energy: -13.818 flat angles C4'-P-C4' energy: -12.962 flat angles P-C4'-P energy: -11.452 tors. eta vs tors. theta energy: -12.188 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: 6 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -155.590279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.590279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.590279 (E_RNA) where: Base-Base interactions energy: -97.592 where: short stacking energy: -42.184 Base-Backbone interact. energy: -0.676 local terms energy: -57.322720 where: bonds (distance) C4'-P energy: -14.170 bonds (distance) P-C4' energy: -13.881 flat angles C4'-P-C4' energy: -11.883 flat angles P-C4'-P energy: -9.156 tors. eta vs tors. theta energy: -8.233 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: 461 Temperature: 1.250000 Total energy: -122.919929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.919929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.919929 (E_RNA) where: Base-Base interactions energy: -72.119 where: short stacking energy: -37.961 Base-Backbone interact. energy: -0.102 local terms energy: -50.698289 where: bonds (distance) C4'-P energy: -9.008 bonds (distance) P-C4' energy: -9.464 flat angles C4'-P-C4' energy: -16.074 flat angles P-C4'-P energy: -7.545 tors. eta vs tors. theta energy: -8.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -85.026675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.026675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.026675 (E_RNA) where: Base-Base interactions energy: -36.005 where: short stacking energy: -35.851 Base-Backbone interact. energy: 0.957 local terms energy: -49.978262 where: bonds (distance) C4'-P energy: -11.027 bonds (distance) P-C4' energy: -15.547 flat angles C4'-P-C4' energy: -9.988 flat angles P-C4'-P energy: -6.198 tors. eta vs tors. theta energy: -7.218 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: 5 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -77.104878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.104878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.104878 (E_RNA) where: Base-Base interactions energy: -27.619 where: short stacking energy: -24.945 Base-Backbone interact. energy: -0.074 local terms energy: -49.411297 where: bonds (distance) C4'-P energy: -9.754 bonds (distance) P-C4' energy: -14.339 flat angles C4'-P-C4' energy: -13.782 flat angles P-C4'-P energy: -9.209 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: 1, replica: 1 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -212.364410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.364410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.364410 (E_RNA) where: Base-Base interactions energy: -146.347 where: short stacking energy: -57.622 Base-Backbone interact. energy: -0.225 local terms energy: -65.792094 where: bonds (distance) C4'-P energy: -14.352 bonds (distance) P-C4' energy: -11.143 flat angles C4'-P-C4' energy: -15.380 flat angles P-C4'-P energy: -10.070 tors. eta vs tors. theta energy: -14.847 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: 8 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -201.608850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.608850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.608850 (E_RNA) where: Base-Base interactions energy: -131.138 where: short stacking energy: -47.500 Base-Backbone interact. energy: -0.868 local terms energy: -69.603424 where: bonds (distance) C4'-P energy: -13.231 bonds (distance) P-C4' energy: -16.769 flat angles C4'-P-C4' energy: -14.328 flat angles P-C4'-P energy: -10.363 tors. eta vs tors. theta energy: -14.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -215.177170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.177170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.177170 (E_RNA) where: Base-Base interactions energy: -142.575 where: short stacking energy: -66.566 Base-Backbone interact. energy: -0.104 local terms energy: -72.498682 where: bonds (distance) C4'-P energy: -13.082 bonds (distance) P-C4' energy: -16.643 flat angles C4'-P-C4' energy: -16.341 flat angles P-C4'-P energy: -9.784 tors. eta vs tors. theta energy: -16.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -189.637893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.637893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.637893 (E_RNA) where: Base-Base interactions energy: -121.300 where: short stacking energy: -55.043 Base-Backbone interact. energy: -0.003 local terms energy: -68.334756 where: bonds (distance) C4'-P energy: -12.162 bonds (distance) P-C4' energy: -15.097 flat angles C4'-P-C4' energy: -16.151 flat angles P-C4'-P energy: -10.067 tors. eta vs tors. theta energy: -14.858 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: 3 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -168.159954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.159954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.159954 (E_RNA) where: Base-Base interactions energy: -106.479 where: short stacking energy: -43.910 Base-Backbone interact. energy: -0.602 local terms energy: -61.078294 where: bonds (distance) C4'-P energy: -12.253 bonds (distance) P-C4' energy: -17.505 flat angles C4'-P-C4' energy: -9.527 flat angles P-C4'-P energy: -12.136 tors. eta vs tors. theta energy: -9.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -179.654589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.654589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.654589 (E_RNA) where: Base-Base interactions energy: -128.049 where: short stacking energy: -53.046 Base-Backbone interact. energy: -0.031 local terms energy: -51.574614 where: bonds (distance) C4'-P energy: -12.924 bonds (distance) P-C4' energy: -10.140 flat angles C4'-P-C4' energy: -10.288 flat angles P-C4'-P energy: -7.926 tors. eta vs tors. theta energy: -10.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -161.082474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.082474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.082474 (E_RNA) where: Base-Base interactions energy: -106.564 where: short stacking energy: -42.744 Base-Backbone interact. energy: -0.343 local terms energy: -54.175179 where: bonds (distance) C4'-P energy: -13.495 bonds (distance) P-C4' energy: -14.306 flat angles C4'-P-C4' energy: -8.265 flat angles P-C4'-P energy: -9.846 tors. eta vs tors. theta energy: -8.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -127.346934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.346934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.346934 (E_RNA) where: Base-Base interactions energy: -71.629 where: short stacking energy: -39.911 Base-Backbone interact. energy: 1.807 local terms energy: -57.524225 where: bonds (distance) C4'-P energy: -14.092 bonds (distance) P-C4' energy: -10.767 flat angles C4'-P-C4' energy: -16.283 flat angles P-C4'-P energy: -7.925 tors. eta vs tors. theta energy: -8.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -72.063046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.063046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.063046 (E_RNA) where: Base-Base interactions energy: -29.064 where: short stacking energy: -25.791 Base-Backbone interact. energy: -0.170 local terms energy: -42.829174 where: bonds (distance) C4'-P energy: -8.942 bonds (distance) P-C4' energy: -11.470 flat angles C4'-P-C4' energy: -10.026 flat angles P-C4'-P energy: -9.538 tors. eta vs tors. theta energy: -2.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -86.249702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.249702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.249702 (E_RNA) where: Base-Base interactions energy: -37.980 where: short stacking energy: -37.980 Base-Backbone interact. energy: 0.497 local terms energy: -48.766413 where: bonds (distance) C4'-P energy: -6.417 bonds (distance) P-C4' energy: -13.299 flat angles C4'-P-C4' energy: -15.259 flat angles P-C4'-P energy: -7.138 tors. eta vs tors. theta energy: -6.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -213.500704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.500704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.500704 (E_RNA) where: Base-Base interactions energy: -149.514 where: short stacking energy: -55.580 Base-Backbone interact. energy: -0.258 local terms energy: -63.728495 where: bonds (distance) C4'-P energy: -9.334 bonds (distance) P-C4' energy: -13.402 flat angles C4'-P-C4' energy: -14.792 flat angles P-C4'-P energy: -11.131 tors. eta vs tors. theta energy: -15.069 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: 10 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -209.389907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.389907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.389907 (E_RNA) where: Base-Base interactions energy: -137.717 where: short stacking energy: -59.741 Base-Backbone interact. energy: -0.770 local terms energy: -70.902718 where: bonds (distance) C4'-P energy: -14.463 bonds (distance) P-C4' energy: -13.243 flat angles C4'-P-C4' energy: -13.846 flat angles P-C4'-P energy: -10.334 tors. eta vs tors. theta energy: -19.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -202.709204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.709204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.709204 (E_RNA) where: Base-Base interactions energy: -142.366 where: short stacking energy: -53.279 Base-Backbone interact. energy: -0.185 local terms energy: -60.158368 where: bonds (distance) C4'-P energy: -14.781 bonds (distance) P-C4' energy: -11.309 flat angles C4'-P-C4' energy: -12.284 flat angles P-C4'-P energy: -9.718 tors. eta vs tors. theta energy: -12.065 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: 4 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -189.763135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.763135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.763135 (E_RNA) where: Base-Base interactions energy: -128.548 where: short stacking energy: -58.079 Base-Backbone interact. energy: -0.064 local terms energy: -61.151235 where: bonds (distance) C4'-P energy: -13.789 bonds (distance) P-C4' energy: -12.164 flat angles C4'-P-C4' energy: -8.063 flat angles P-C4'-P energy: -8.834 tors. eta vs tors. theta energy: -18.302 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: 5, replica: 3 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -181.857641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.857641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.857641 (E_RNA) where: Base-Base interactions energy: -114.860 where: short stacking energy: -54.354 Base-Backbone interact. energy: 0.113 local terms energy: -67.110989 where: bonds (distance) C4'-P energy: -16.053 bonds (distance) P-C4' energy: -13.898 flat angles C4'-P-C4' energy: -14.746 flat angles P-C4'-P energy: -7.294 tors. eta vs tors. theta energy: -15.121 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: 6 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -175.692844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.692844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.692844 (E_RNA) where: Base-Base interactions energy: -119.203 where: short stacking energy: -59.758 Base-Backbone interact. energy: -0.075 local terms energy: -56.415353 where: bonds (distance) C4'-P energy: -10.204 bonds (distance) P-C4' energy: -13.146 flat angles C4'-P-C4' energy: -11.060 flat angles P-C4'-P energy: -11.138 tors. eta vs tors. theta energy: -10.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -166.435568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.435568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.435568 (E_RNA) where: Base-Base interactions energy: -108.953 where: short stacking energy: -45.892 Base-Backbone interact. energy: -0.085 local terms energy: -57.398041 where: bonds (distance) C4'-P energy: -11.904 bonds (distance) P-C4' energy: -13.979 flat angles C4'-P-C4' energy: -13.646 flat angles P-C4'-P energy: -6.616 tors. eta vs tors. theta energy: -11.254 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: 8, replica: 5 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -98.050153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.050153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.050153 (E_RNA) where: Base-Base interactions energy: -38.064 where: short stacking energy: -31.103 Base-Backbone interact. energy: 0.679 local terms energy: -60.664912 where: bonds (distance) C4'-P energy: -15.085 bonds (distance) P-C4' energy: -10.257 flat angles C4'-P-C4' energy: -16.817 flat angles P-C4'-P energy: -9.841 tors. eta vs tors. theta energy: -8.666 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: 9 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -77.691512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.691512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.691512 (E_RNA) where: Base-Base interactions energy: -30.260 where: short stacking energy: -30.260 Base-Backbone interact. energy: -0.459 local terms energy: -46.972041 where: bonds (distance) C4'-P energy: -13.127 bonds (distance) P-C4' energy: -14.818 flat angles C4'-P-C4' energy: -9.279 flat angles P-C4'-P energy: -9.338 tors. eta vs tors. theta energy: -0.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -66.177621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.177621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.177621 (E_RNA) where: Base-Base interactions energy: -23.624 where: short stacking energy: -14.771 Base-Backbone interact. energy: -0.434 local terms energy: -42.119687 where: bonds (distance) C4'-P energy: -11.425 bonds (distance) P-C4' energy: -13.991 flat angles C4'-P-C4' energy: -6.845 flat angles P-C4'-P energy: -10.435 tors. eta vs tors. theta energy: 0.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -216.199485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.199485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.199485 (E_RNA) where: Base-Base interactions energy: -142.378 where: short stacking energy: -54.756 Base-Backbone interact. energy: -0.579 local terms energy: -73.242634 where: bonds (distance) C4'-P energy: -16.907 bonds (distance) P-C4' energy: -16.515 flat angles C4'-P-C4' energy: -16.354 flat angles P-C4'-P energy: -8.894 tors. eta vs tors. theta energy: -14.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -213.470859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.470859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.470859 (E_RNA) where: Base-Base interactions energy: -146.050 where: short stacking energy: -65.738 Base-Backbone interact. energy: -0.153 local terms energy: -67.267462 where: bonds (distance) C4'-P energy: -12.829 bonds (distance) P-C4' energy: -14.817 flat angles C4'-P-C4' energy: -14.347 flat angles P-C4'-P energy: -8.268 tors. eta vs tors. theta energy: -17.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -196.932221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.932221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.932221 (E_RNA) where: Base-Base interactions energy: -129.097 where: short stacking energy: -54.385 Base-Backbone interact. energy: -1.301 local terms energy: -66.533601 where: bonds (distance) C4'-P energy: -13.562 bonds (distance) P-C4' energy: -14.641 flat angles C4'-P-C4' energy: -14.782 flat angles P-C4'-P energy: -6.486 tors. eta vs tors. theta energy: -17.062 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: 8 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -200.289968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.289968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.289968 (E_RNA) where: Base-Base interactions energy: -139.128 where: short stacking energy: -53.158 Base-Backbone interact. energy: -0.098 local terms energy: -61.063090 where: bonds (distance) C4'-P energy: -11.036 bonds (distance) P-C4' energy: -15.103 flat angles C4'-P-C4' energy: -10.497 flat angles P-C4'-P energy: -12.008 tors. eta vs tors. theta energy: -12.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -173.546555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.546555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.546555 (E_RNA) where: Base-Base interactions energy: -114.272 where: short stacking energy: -47.059 Base-Backbone interact. energy: 0.632 local terms energy: -59.906409 where: bonds (distance) C4'-P energy: -14.925 bonds (distance) P-C4' energy: -11.629 flat angles C4'-P-C4' energy: -12.243 flat angles P-C4'-P energy: -9.706 tors. eta vs tors. theta energy: -11.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -176.002375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.002375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.002375 (E_RNA) where: Base-Base interactions energy: -121.639 where: short stacking energy: -44.331 Base-Backbone interact. energy: -0.101 local terms energy: -54.262260 where: bonds (distance) C4'-P energy: -12.795 bonds (distance) P-C4' energy: -13.645 flat angles C4'-P-C4' energy: -7.758 flat angles P-C4'-P energy: -5.659 tors. eta vs tors. theta energy: -14.405 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: 7, replica: 7 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -170.723723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.723723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.723723 (E_RNA) where: Base-Base interactions energy: -108.420 where: short stacking energy: -45.537 Base-Backbone interact. energy: -0.045 local terms energy: -62.258943 where: bonds (distance) C4'-P energy: -13.962 bonds (distance) P-C4' energy: -12.951 flat angles C4'-P-C4' energy: -14.188 flat angles P-C4'-P energy: -8.917 tors. eta vs tors. theta energy: -12.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -118.221652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.221652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.221652 (E_RNA) where: Base-Base interactions energy: -69.094 where: short stacking energy: -33.224 Base-Backbone interact. energy: -0.302 local terms energy: -48.825248 where: bonds (distance) C4'-P energy: -11.215 bonds (distance) P-C4' energy: -10.053 flat angles C4'-P-C4' energy: -13.423 flat angles P-C4'-P energy: -6.910 tors. eta vs tors. theta energy: -7.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -83.317293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.317293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.317293 (E_RNA) where: Base-Base interactions energy: -35.187 where: short stacking energy: -32.145 Base-Backbone interact. energy: -0.091 local terms energy: -48.038925 where: bonds (distance) C4'-P energy: -15.235 bonds (distance) P-C4' energy: -15.244 flat angles C4'-P-C4' energy: -12.955 flat angles P-C4'-P energy: -4.561 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: 9 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -72.767386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.767386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.767386 (E_RNA) where: Base-Base interactions energy: -30.018 where: short stacking energy: -30.018 Base-Backbone interact. energy: -0.278 local terms energy: -42.471600 where: bonds (distance) C4'-P energy: -11.963 bonds (distance) P-C4' energy: -10.774 flat angles C4'-P-C4' energy: -7.966 flat angles P-C4'-P energy: -7.905 tors. eta vs tors. theta energy: -3.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -218.980584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.980584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.980584 (E_RNA) where: Base-Base interactions energy: -155.267 where: short stacking energy: -60.435 Base-Backbone interact. energy: -0.027 local terms energy: -63.686690 where: bonds (distance) C4'-P energy: -15.226 bonds (distance) P-C4' energy: -12.254 flat angles C4'-P-C4' energy: -16.778 flat angles P-C4'-P energy: -7.224 tors. eta vs tors. theta energy: -12.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -217.061935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.061935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.061935 (E_RNA) where: Base-Base interactions energy: -152.256 where: short stacking energy: -65.309 Base-Backbone interact. energy: -0.260 local terms energy: -64.545924 where: bonds (distance) C4'-P energy: -14.593 bonds (distance) P-C4' energy: -11.789 flat angles C4'-P-C4' energy: -14.561 flat angles P-C4'-P energy: -8.102 tors. eta vs tors. theta energy: -15.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -188.858726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.858726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.858726 (E_RNA) where: Base-Base interactions energy: -125.927 where: short stacking energy: -54.727 Base-Backbone interact. energy: -0.127 local terms energy: -62.804740 where: bonds (distance) C4'-P energy: -12.332 bonds (distance) P-C4' energy: -12.129 flat angles C4'-P-C4' energy: -14.068 flat angles P-C4'-P energy: -10.066 tors. eta vs tors. theta energy: -14.209 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: 6 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -193.439616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.439616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.439616 (E_RNA) where: Base-Base interactions energy: -121.334 where: short stacking energy: -59.331 Base-Backbone interact. energy: -0.034 local terms energy: -72.071386 where: bonds (distance) C4'-P energy: -15.325 bonds (distance) P-C4' energy: -12.923 flat angles C4'-P-C4' energy: -16.328 flat angles P-C4'-P energy: -10.018 tors. eta vs tors. theta energy: -17.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -200.803523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.803523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.803523 (E_RNA) where: Base-Base interactions energy: -135.929 where: short stacking energy: -64.527 Base-Backbone interact. energy: -0.102 local terms energy: -64.773240 where: bonds (distance) C4'-P energy: -12.264 bonds (distance) P-C4' energy: -13.712 flat angles C4'-P-C4' energy: -14.681 flat angles P-C4'-P energy: -10.672 tors. eta vs tors. theta energy: -13.444 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: 7 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -181.002818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.002818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.002818 (E_RNA) where: Base-Base interactions energy: -120.958 where: short stacking energy: -57.523 Base-Backbone interact. energy: -0.012 local terms energy: -60.032886 where: bonds (distance) C4'-P energy: -13.009 bonds (distance) P-C4' energy: -13.282 flat angles C4'-P-C4' energy: -13.321 flat angles P-C4'-P energy: -9.805 tors. eta vs tors. theta energy: -10.615 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: 3 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -180.541648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.541648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.541648 (E_RNA) where: Base-Base interactions energy: -109.996 where: short stacking energy: -53.283 Base-Backbone interact. energy: -0.043 local terms energy: -70.502760 where: bonds (distance) C4'-P energy: -14.833 bonds (distance) P-C4' energy: -16.901 flat angles C4'-P-C4' energy: -14.531 flat angles P-C4'-P energy: -10.093 tors. eta vs tors. theta energy: -14.145 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: 5 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -102.836321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.836321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.836321 (E_RNA) where: Base-Base interactions energy: -48.083 where: short stacking energy: -27.753 Base-Backbone interact. energy: -0.232 local terms energy: -54.520859 where: bonds (distance) C4'-P energy: -10.738 bonds (distance) P-C4' energy: -14.628 flat angles C4'-P-C4' energy: -15.259 flat angles P-C4'-P energy: -9.274 tors. eta vs tors. theta energy: -4.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -79.788178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.788178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.788178 (E_RNA) where: Base-Base interactions energy: -25.137 where: short stacking energy: -25.137 Base-Backbone interact. energy: -0.163 local terms energy: -54.488742 where: bonds (distance) C4'-P energy: -11.093 bonds (distance) P-C4' energy: -16.563 flat angles C4'-P-C4' energy: -11.171 flat angles P-C4'-P energy: -6.051 tors. eta vs tors. theta energy: -9.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -80.392999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.392999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.392999 (E_RNA) where: Base-Base interactions energy: -30.407 where: short stacking energy: -26.044 Base-Backbone interact. energy: -0.164 local terms energy: -49.821269 where: bonds (distance) C4'-P energy: -12.265 bonds (distance) P-C4' energy: -15.703 flat angles C4'-P-C4' energy: -12.528 flat angles P-C4'-P energy: -11.107 tors. eta vs tors. theta energy: 1.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -225.654996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.654996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.654996 (E_RNA) where: Base-Base interactions energy: -150.020 where: short stacking energy: -59.882 Base-Backbone interact. energy: -0.332 local terms energy: -75.302236 where: bonds (distance) C4'-P energy: -14.459 bonds (distance) P-C4' energy: -17.122 flat angles C4'-P-C4' energy: -14.986 flat angles P-C4'-P energy: -11.646 tors. eta vs tors. theta energy: -17.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -211.211701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.211701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.211701 (E_RNA) where: Base-Base interactions energy: -149.993 where: short stacking energy: -49.952 Base-Backbone interact. energy: -0.744 local terms energy: -60.475003 where: bonds (distance) C4'-P energy: -12.647 bonds (distance) P-C4' energy: -14.917 flat angles C4'-P-C4' energy: -14.150 flat angles P-C4'-P energy: -8.111 tors. eta vs tors. theta energy: -10.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -198.820638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.820638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.820638 (E_RNA) where: Base-Base interactions energy: -133.915 where: short stacking energy: -58.170 Base-Backbone interact. energy: -0.019 local terms energy: -64.885802 where: bonds (distance) C4'-P energy: -15.156 bonds (distance) P-C4' energy: -8.003 flat angles C4'-P-C4' energy: -15.137 flat angles P-C4'-P energy: -10.804 tors. eta vs tors. theta energy: -15.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -193.869556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.869556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.869556 (E_RNA) where: Base-Base interactions energy: -123.706 where: short stacking energy: -54.294 Base-Backbone interact. energy: -0.078 local terms energy: -70.085338 where: bonds (distance) C4'-P energy: -13.590 bonds (distance) P-C4' energy: -16.432 flat angles C4'-P-C4' energy: -14.906 flat angles P-C4'-P energy: -10.682 tors. eta vs tors. theta energy: -14.476 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: 8 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -188.518011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.518011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.518011 (E_RNA) where: Base-Base interactions energy: -127.146 where: short stacking energy: -53.244 Base-Backbone interact. energy: -0.101 local terms energy: -61.271203 where: bonds (distance) C4'-P energy: -13.653 bonds (distance) P-C4' energy: -14.205 flat angles C4'-P-C4' energy: -13.819 flat angles P-C4'-P energy: -7.986 tors. eta vs tors. theta energy: -11.608 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: 7 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -183.320401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.320401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.320401 (E_RNA) where: Base-Base interactions energy: -114.831 where: short stacking energy: -52.101 Base-Backbone interact. energy: -0.338 local terms energy: -68.151495 where: bonds (distance) C4'-P energy: -12.626 bonds (distance) P-C4' energy: -17.330 flat angles C4'-P-C4' energy: -14.709 flat angles P-C4'-P energy: -11.629 tors. eta vs tors. theta energy: -11.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -161.379875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.379875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.379875 (E_RNA) where: Base-Base interactions energy: -104.784 where: short stacking energy: -43.047 Base-Backbone interact. energy: 2.010 local terms energy: -58.606065 where: bonds (distance) C4'-P energy: -14.158 bonds (distance) P-C4' energy: -11.506 flat angles C4'-P-C4' energy: -14.624 flat angles P-C4'-P energy: -7.010 tors. eta vs tors. theta energy: -11.309 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: 8, replica: 5 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -124.960918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.960918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.960918 (E_RNA) where: Base-Base interactions energy: -74.422 where: short stacking energy: -25.519 Base-Backbone interact. energy: -0.109 local terms energy: -50.429321 where: bonds (distance) C4'-P energy: -11.219 bonds (distance) P-C4' energy: -12.818 flat angles C4'-P-C4' energy: -14.864 flat angles P-C4'-P energy: -6.090 tors. eta vs tors. theta energy: -5.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -75.880005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.880005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.880005 (E_RNA) where: Base-Base interactions energy: -22.508 where: short stacking energy: -13.624 Base-Backbone interact. energy: -0.974 local terms energy: -52.398296 where: bonds (distance) C4'-P energy: -16.782 bonds (distance) P-C4' energy: -15.995 flat angles C4'-P-C4' energy: -12.699 flat angles P-C4'-P energy: -8.215 tors. eta vs tors. theta energy: 1.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -85.076019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.076019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.076019 (E_RNA) where: Base-Base interactions energy: -38.568 where: short stacking energy: -23.173 Base-Backbone interact. energy: 0.557 local terms energy: -47.065013 where: bonds (distance) C4'-P energy: -10.064 bonds (distance) P-C4' energy: -9.271 flat angles C4'-P-C4' energy: -8.785 flat angles P-C4'-P energy: -12.976 tors. eta vs tors. theta energy: -5.970 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: 1 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -224.491188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.491188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.491188 (E_RNA) where: Base-Base interactions energy: -162.328 where: short stacking energy: -67.372 Base-Backbone interact. energy: -0.467 local terms energy: -61.696913 where: bonds (distance) C4'-P energy: -9.342 bonds (distance) P-C4' energy: -15.888 flat angles C4'-P-C4' energy: -13.477 flat angles P-C4'-P energy: -4.925 tors. eta vs tors. theta energy: -18.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -200.143853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.143853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.143853 (E_RNA) where: Base-Base interactions energy: -139.217 where: short stacking energy: -54.038 Base-Backbone interact. energy: -0.285 local terms energy: -60.641708 where: bonds (distance) C4'-P energy: -11.986 bonds (distance) P-C4' energy: -16.104 flat angles C4'-P-C4' energy: -16.260 flat angles P-C4'-P energy: -5.937 tors. eta vs tors. theta energy: -10.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -208.884849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.884849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.884849 (E_RNA) where: Base-Base interactions energy: -146.258 where: short stacking energy: -52.950 Base-Backbone interact. energy: -0.102 local terms energy: -62.524671 where: bonds (distance) C4'-P energy: -11.351 bonds (distance) P-C4' energy: -14.821 flat angles C4'-P-C4' energy: -13.860 flat angles P-C4'-P energy: -9.148 tors. eta vs tors. theta energy: -13.345 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: 4, replica: 4 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -191.335493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.335493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.335493 (E_RNA) where: Base-Base interactions energy: -135.869 where: short stacking energy: -64.296 Base-Backbone interact. energy: -0.017 local terms energy: -55.449090 where: bonds (distance) C4'-P energy: -11.654 bonds (distance) P-C4' energy: -9.374 flat angles C4'-P-C4' energy: -15.077 flat angles P-C4'-P energy: -5.738 tors. eta vs tors. theta energy: -13.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -179.526316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.526316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.526316 (E_RNA) where: Base-Base interactions energy: -120.868 where: short stacking energy: -42.743 Base-Backbone interact. energy: -0.154 local terms energy: -58.504779 where: bonds (distance) C4'-P energy: -15.482 bonds (distance) P-C4' energy: -13.980 flat angles C4'-P-C4' energy: -15.587 flat angles P-C4'-P energy: -4.440 tors. eta vs tors. theta energy: -9.016 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: 7 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -164.037929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.037929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.037929 (E_RNA) where: Base-Base interactions energy: -107.695 where: short stacking energy: -47.041 Base-Backbone interact. energy: -0.113 local terms energy: -56.230534 where: bonds (distance) C4'-P energy: -13.860 bonds (distance) P-C4' energy: -13.861 flat angles C4'-P-C4' energy: -12.052 flat angles P-C4'-P energy: -9.495 tors. eta vs tors. theta energy: -6.962 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: 3 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -178.477157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.477157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.477157 (E_RNA) where: Base-Base interactions energy: -119.035 where: short stacking energy: -51.864 Base-Backbone interact. energy: -0.518 local terms energy: -58.924166 where: bonds (distance) C4'-P energy: -12.195 bonds (distance) P-C4' energy: -16.132 flat angles C4'-P-C4' energy: -12.502 flat angles P-C4'-P energy: -5.725 tors. eta vs tors. theta energy: -12.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -136.827437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -136.827437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -136.827437 (E_RNA) where: Base-Base interactions energy: -87.594 where: short stacking energy: -31.824 Base-Backbone interact. energy: -0.349 local terms energy: -48.884837 where: bonds (distance) C4'-P energy: -13.648 bonds (distance) P-C4' energy: -11.825 flat angles C4'-P-C4' energy: -13.380 flat angles P-C4'-P energy: -8.091 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: 9, replica: 9 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -80.416687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.416687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.416687 (E_RNA) where: Base-Base interactions energy: -33.423 where: short stacking energy: -31.874 Base-Backbone interact. energy: -0.066 local terms energy: -46.927781 where: bonds (distance) C4'-P energy: -10.183 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -14.668 flat angles P-C4'-P energy: -7.921 tors. eta vs tors. theta energy: -6.371 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: 2 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -85.821342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.821342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.821342 (E_RNA) where: Base-Base interactions energy: -38.854 where: short stacking energy: -38.854 Base-Backbone interact. energy: -0.013 local terms energy: -46.953909 where: bonds (distance) C4'-P energy: -14.849 bonds (distance) P-C4' energy: -10.060 flat angles C4'-P-C4' energy: -4.866 flat angles P-C4'-P energy: -8.054 tors. eta vs tors. theta energy: -9.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -221.975633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.975633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.975633 (E_RNA) where: Base-Base interactions energy: -150.415 where: short stacking energy: -63.000 Base-Backbone interact. energy: -0.153 local terms energy: -71.407938 where: bonds (distance) C4'-P energy: -13.748 bonds (distance) P-C4' energy: -16.013 flat angles C4'-P-C4' energy: -13.453 flat angles P-C4'-P energy: -9.692 tors. eta vs tors. theta energy: -18.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -193.006420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.006420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.006420 (E_RNA) where: Base-Base interactions energy: -130.540 where: short stacking energy: -54.879 Base-Backbone interact. energy: -0.320 local terms energy: -62.146071 where: bonds (distance) C4'-P energy: -13.336 bonds (distance) P-C4' energy: -15.230 flat angles C4'-P-C4' energy: -12.073 flat angles P-C4'-P energy: -11.533 tors. eta vs tors. theta energy: -9.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -204.771311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.771311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.771311 (E_RNA) where: Base-Base interactions energy: -134.627 where: short stacking energy: -60.606 Base-Backbone interact. energy: -0.486 local terms energy: -69.658773 where: bonds (distance) C4'-P energy: -15.494 bonds (distance) P-C4' energy: -13.616 flat angles C4'-P-C4' energy: -15.605 flat angles P-C4'-P energy: -7.380 tors. eta vs tors. theta energy: -17.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -178.533801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.533801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.533801 (E_RNA) where: Base-Base interactions energy: -118.667 where: short stacking energy: -58.758 Base-Backbone interact. energy: -0.505 local terms energy: -59.361717 where: bonds (distance) C4'-P energy: -12.646 bonds (distance) P-C4' energy: -8.075 flat angles C4'-P-C4' energy: -13.247 flat angles P-C4'-P energy: -11.720 tors. eta vs tors. theta energy: -13.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -196.204269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.204269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.204269 (E_RNA) where: Base-Base interactions energy: -128.134 where: short stacking energy: -65.326 Base-Backbone interact. energy: -0.221 local terms energy: -67.848922 where: bonds (distance) C4'-P energy: -11.325 bonds (distance) P-C4' energy: -15.452 flat angles C4'-P-C4' energy: -13.627 flat angles P-C4'-P energy: -9.552 tors. eta vs tors. theta energy: -17.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -181.429663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.429663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.429663 (E_RNA) where: Base-Base interactions energy: -111.634 where: short stacking energy: -62.823 Base-Backbone interact. energy: -0.025 local terms energy: -69.771263 where: bonds (distance) C4'-P energy: -10.841 bonds (distance) P-C4' energy: -15.156 flat angles C4'-P-C4' energy: -16.345 flat angles P-C4'-P energy: -9.398 tors. eta vs tors. theta energy: -18.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -163.795956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.795956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.795956 (E_RNA) where: Base-Base interactions energy: -105.199 where: short stacking energy: -43.387 Base-Backbone interact. energy: -0.469 local terms energy: -58.128478 where: bonds (distance) C4'-P energy: -12.299 bonds (distance) P-C4' energy: -15.092 flat angles C4'-P-C4' energy: -14.052 flat angles P-C4'-P energy: -8.643 tors. eta vs tors. theta energy: -8.043 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: 8, replica: 3 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -166.913412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.913412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.913412 (E_RNA) where: Base-Base interactions energy: -111.219 where: short stacking energy: -51.715 Base-Backbone interact. energy: -0.414 local terms energy: -55.280115 where: bonds (distance) C4'-P energy: -9.240 bonds (distance) P-C4' energy: -16.379 flat angles C4'-P-C4' energy: -10.174 flat angles P-C4'-P energy: -9.178 tors. eta vs tors. theta energy: -10.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -77.285335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.285335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.285335 (E_RNA) where: Base-Base interactions energy: -28.191 where: short stacking energy: -28.191 Base-Backbone interact. energy: -0.036 local terms energy: -49.058912 where: bonds (distance) C4'-P energy: -11.931 bonds (distance) P-C4' energy: -15.490 flat angles C4'-P-C4' energy: -12.667 flat angles P-C4'-P energy: -2.778 tors. eta vs tors. theta energy: -6.194 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: 9 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -80.633679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.633679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.633679 (E_RNA) where: Base-Base interactions energy: -33.023 where: short stacking energy: -33.023 Base-Backbone interact. energy: -0.043 local terms energy: -47.566794 where: bonds (distance) C4'-P energy: -11.838 bonds (distance) P-C4' energy: -13.138 flat angles C4'-P-C4' energy: -9.451 flat angles P-C4'-P energy: -8.068 tors. eta vs tors. theta energy: -5.073 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: 1 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -217.299898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.299898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.299898 (E_RNA) where: Base-Base interactions energy: -145.094 where: short stacking energy: -64.996 Base-Backbone interact. energy: -0.369 local terms energy: -71.836366 where: bonds (distance) C4'-P energy: -12.816 bonds (distance) P-C4' energy: -13.744 flat angles C4'-P-C4' energy: -15.172 flat angles P-C4'-P energy: -12.179 tors. eta vs tors. theta energy: -17.925 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: 2, replica: 6 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -200.911372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.911372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.911372 (E_RNA) where: Base-Base interactions energy: -133.218 where: short stacking energy: -55.237 Base-Backbone interact. energy: -0.241 local terms energy: -67.452791 where: bonds (distance) C4'-P energy: -14.810 bonds (distance) P-C4' energy: -15.858 flat angles C4'-P-C4' energy: -12.553 flat angles P-C4'-P energy: -6.709 tors. eta vs tors. theta energy: -17.524 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: 10 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -184.313275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.313275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.313275 (E_RNA) where: Base-Base interactions energy: -127.633 where: short stacking energy: -43.379 Base-Backbone interact. energy: -0.167 local terms energy: -56.513713 where: bonds (distance) C4'-P energy: -16.641 bonds (distance) P-C4' energy: -13.666 flat angles C4'-P-C4' energy: -12.918 flat angles P-C4'-P energy: -1.550 tors. eta vs tors. theta energy: -11.739 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: 4 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -179.604256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.604256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.604256 (E_RNA) where: Base-Base interactions energy: -113.606 where: short stacking energy: -55.802 Base-Backbone interact. energy: -0.098 local terms energy: -65.900056 where: bonds (distance) C4'-P energy: -15.152 bonds (distance) P-C4' energy: -9.206 flat angles C4'-P-C4' energy: -17.640 flat angles P-C4'-P energy: -9.796 tors. eta vs tors. theta energy: -14.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -185.188203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.188203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.188203 (E_RNA) where: Base-Base interactions energy: -115.857 where: short stacking energy: -57.031 Base-Backbone interact. energy: -0.003 local terms energy: -69.329100 where: bonds (distance) C4'-P energy: -13.852 bonds (distance) P-C4' energy: -13.324 flat angles C4'-P-C4' energy: -12.809 flat angles P-C4'-P energy: -12.114 tors. eta vs tors. theta energy: -17.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -177.608349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.608349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.608349 (E_RNA) where: Base-Base interactions energy: -115.773 where: short stacking energy: -52.719 Base-Backbone interact. energy: -0.011 local terms energy: -61.824331 where: bonds (distance) C4'-P energy: -15.432 bonds (distance) P-C4' energy: -14.755 flat angles C4'-P-C4' energy: -12.372 flat angles P-C4'-P energy: -4.914 tors. eta vs tors. theta energy: -14.351 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: 7, replica: 7 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -167.273005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.273005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.273005 (E_RNA) where: Base-Base interactions energy: -104.357 where: short stacking energy: -48.925 Base-Backbone interact. energy: -0.196 local terms energy: -62.720214 where: bonds (distance) C4'-P energy: -16.293 bonds (distance) P-C4' energy: -9.767 flat angles C4'-P-C4' energy: -16.419 flat angles P-C4'-P energy: -9.708 tors. eta vs tors. theta energy: -10.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -152.562688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.562688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.562688 (E_RNA) where: Base-Base interactions energy: -97.277 where: short stacking energy: -50.023 Base-Backbone interact. energy: 0.079 local terms energy: -55.364605 where: bonds (distance) C4'-P energy: -6.301 bonds (distance) P-C4' energy: -17.464 flat angles C4'-P-C4' energy: -12.677 flat angles P-C4'-P energy: -10.046 tors. eta vs tors. theta energy: -8.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -83.058898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.058898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.058898 (E_RNA) where: Base-Base interactions energy: -27.469 where: short stacking energy: -24.355 Base-Backbone interact. energy: 0.067 local terms energy: -55.656782 where: bonds (distance) C4'-P energy: -14.235 bonds (distance) P-C4' energy: -13.151 flat angles C4'-P-C4' energy: -11.342 flat angles P-C4'-P energy: -11.538 tors. eta vs tors. theta energy: -5.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -74.455356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.455356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.455356 (E_RNA) where: Base-Base interactions energy: -27.688 where: short stacking energy: -27.688 Base-Backbone interact. energy: 0.006 local terms energy: -46.772645 where: bonds (distance) C4'-P energy: -13.329 bonds (distance) P-C4' energy: -15.011 flat angles C4'-P-C4' energy: -11.786 flat angles P-C4'-P energy: -8.186 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: 1, replica: 6 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -210.165807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.165807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.165807 (E_RNA) where: Base-Base interactions energy: -138.774 where: short stacking energy: -64.775 Base-Backbone interact. energy: -0.106 local terms energy: -71.285109 where: bonds (distance) C4'-P energy: -13.685 bonds (distance) P-C4' energy: -14.363 flat angles C4'-P-C4' energy: -16.575 flat angles P-C4'-P energy: -5.379 tors. eta vs tors. theta energy: -21.283 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: 1 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -208.636379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.636379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.636379 (E_RNA) where: Base-Base interactions energy: -140.823 where: short stacking energy: -63.641 Base-Backbone interact. energy: -0.025 local terms energy: -67.788571 where: bonds (distance) C4'-P energy: -13.090 bonds (distance) P-C4' energy: -13.631 flat angles C4'-P-C4' energy: -14.668 flat angles P-C4'-P energy: -10.491 tors. eta vs tors. theta energy: -15.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -196.981973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.981973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.981973 (E_RNA) where: Base-Base interactions energy: -136.674 where: short stacking energy: -64.769 Base-Backbone interact. energy: -0.141 local terms energy: -60.167183 where: bonds (distance) C4'-P energy: -13.818 bonds (distance) P-C4' energy: -12.038 flat angles C4'-P-C4' energy: -16.291 flat angles P-C4'-P energy: -1.925 tors. eta vs tors. theta energy: -16.095 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: 470 Temperature: 1.050000 Total energy: -173.029257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.029257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.029257 (E_RNA) where: Base-Base interactions energy: -115.105 where: short stacking energy: -44.920 Base-Backbone interact. energy: 1.180 local terms energy: -59.103767 where: bonds (distance) C4'-P energy: -13.231 bonds (distance) P-C4' energy: -13.645 flat angles C4'-P-C4' energy: -13.695 flat angles P-C4'-P energy: -9.853 tors. eta vs tors. theta energy: -8.679 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: 5 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -174.608840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.608840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.608840 (E_RNA) where: Base-Base interactions energy: -119.523 where: short stacking energy: -50.240 Base-Backbone interact. energy: -0.106 local terms energy: -54.980338 where: bonds (distance) C4'-P energy: -11.943 bonds (distance) P-C4' energy: -13.211 flat angles C4'-P-C4' energy: -13.471 flat angles P-C4'-P energy: -7.922 tors. eta vs tors. theta energy: -8.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -167.841382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.841382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.841382 (E_RNA) where: Base-Base interactions energy: -107.470 where: short stacking energy: -50.935 Base-Backbone interact. energy: -0.091 local terms energy: -60.280232 where: bonds (distance) C4'-P energy: -10.833 bonds (distance) P-C4' energy: -16.208 flat angles C4'-P-C4' energy: -13.157 flat angles P-C4'-P energy: -9.180 tors. eta vs tors. theta energy: -10.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -181.475653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.475653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.475653 (E_RNA) where: Base-Base interactions energy: -128.415 where: short stacking energy: -54.509 Base-Backbone interact. energy: -0.055 local terms energy: -53.004847 where: bonds (distance) C4'-P energy: -11.653 bonds (distance) P-C4' energy: -8.516 flat angles C4'-P-C4' energy: -10.695 flat angles P-C4'-P energy: -5.979 tors. eta vs tors. theta energy: -16.162 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: 7 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -178.327060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.327060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.327060 (E_RNA) where: Base-Base interactions energy: -116.874 where: short stacking energy: -49.535 Base-Backbone interact. energy: -0.023 local terms energy: -61.429971 where: bonds (distance) C4'-P energy: -13.665 bonds (distance) P-C4' energy: -12.419 flat angles C4'-P-C4' energy: -12.766 flat angles P-C4'-P energy: -11.162 tors. eta vs tors. theta energy: -11.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -78.594676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.594676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.594676 (E_RNA) where: Base-Base interactions energy: -29.278 where: short stacking energy: -29.278 Base-Backbone interact. energy: -0.121 local terms energy: -49.195342 where: bonds (distance) C4'-P energy: -11.140 bonds (distance) P-C4' energy: -12.305 flat angles C4'-P-C4' energy: -14.266 flat angles P-C4'-P energy: -9.473 tors. eta vs tors. theta energy: -2.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -78.927369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.927369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.927369 (E_RNA) where: Base-Base interactions energy: -28.294 where: short stacking energy: -28.294 Base-Backbone interact. energy: -0.201 local terms energy: -50.431570 where: bonds (distance) C4'-P energy: -11.379 bonds (distance) P-C4' energy: -16.330 flat angles C4'-P-C4' energy: -12.773 flat angles P-C4'-P energy: -8.560 tors. eta vs tors. theta energy: -1.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -212.649477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.649477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.649477 (E_RNA) where: Base-Base interactions energy: -151.121 where: short stacking energy: -66.528 Base-Backbone interact. energy: -0.615 local terms energy: -60.913901 where: bonds (distance) C4'-P energy: -10.580 bonds (distance) P-C4' energy: -10.321 flat angles C4'-P-C4' energy: -14.783 flat angles P-C4'-P energy: -4.724 tors. eta vs tors. theta energy: -20.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -200.178598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.178598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.178598 (E_RNA) where: Base-Base interactions energy: -137.104 where: short stacking energy: -61.425 Base-Backbone interact. energy: -0.207 local terms energy: -62.867721 where: bonds (distance) C4'-P energy: -11.128 bonds (distance) P-C4' energy: -14.874 flat angles C4'-P-C4' energy: -12.448 flat angles P-C4'-P energy: -8.857 tors. eta vs tors. theta energy: -15.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -201.091482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.091482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.091482 (E_RNA) where: Base-Base interactions energy: -124.127 where: short stacking energy: -54.844 Base-Backbone interact. energy: -0.168 local terms energy: -76.796605 where: bonds (distance) C4'-P energy: -16.980 bonds (distance) P-C4' energy: -15.294 flat angles C4'-P-C4' energy: -13.442 flat angles P-C4'-P energy: -12.492 tors. eta vs tors. theta energy: -18.589 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: 5 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -181.006145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.006145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.006145 (E_RNA) where: Base-Base interactions energy: -121.009 where: short stacking energy: -50.910 Base-Backbone interact. energy: -0.052 local terms energy: -59.944678 where: bonds (distance) C4'-P energy: -12.393 bonds (distance) P-C4' energy: -11.288 flat angles C4'-P-C4' energy: -15.308 flat angles P-C4'-P energy: -8.744 tors. eta vs tors. theta energy: -12.211 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: 5, replica: 4 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -190.243424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.243424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.243424 (E_RNA) where: Base-Base interactions energy: -124.798 where: short stacking energy: -51.392 Base-Backbone interact. energy: -0.176 local terms energy: -65.269970 where: bonds (distance) C4'-P energy: -9.504 bonds (distance) P-C4' energy: -17.979 flat angles C4'-P-C4' energy: -14.716 flat angles P-C4'-P energy: -11.958 tors. eta vs tors. theta energy: -11.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -189.366268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.366268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.366268 (E_RNA) where: Base-Base interactions energy: -128.735 where: short stacking energy: -55.402 Base-Backbone interact. energy: -0.201 local terms energy: -60.430284 where: bonds (distance) C4'-P energy: -14.464 bonds (distance) P-C4' energy: -13.201 flat angles C4'-P-C4' energy: -13.525 flat angles P-C4'-P energy: -5.498 tors. eta vs tors. theta energy: -13.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -179.232176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.232176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.232176 (E_RNA) where: Base-Base interactions energy: -125.273 where: short stacking energy: -54.189 Base-Backbone interact. energy: -0.162 local terms energy: -53.797672 where: bonds (distance) C4'-P energy: -9.679 bonds (distance) P-C4' energy: -14.557 flat angles C4'-P-C4' energy: -7.858 flat angles P-C4'-P energy: -3.915 tors. eta vs tors. theta energy: -17.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -166.235721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.235721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.235721 (E_RNA) where: Base-Base interactions energy: -121.562 where: short stacking energy: -52.033 Base-Backbone interact. energy: -0.101 local terms energy: -44.572666 where: bonds (distance) C4'-P energy: -7.878 bonds (distance) P-C4' energy: -13.848 flat angles C4'-P-C4' energy: -11.388 flat angles P-C4'-P energy: -0.430 tors. eta vs tors. theta energy: -11.027 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: 9, replica: 9 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -84.967034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.967034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.967034 (E_RNA) where: Base-Base interactions energy: -34.321 where: short stacking energy: -34.321 Base-Backbone interact. energy: -0.141 local terms energy: -50.505151 where: bonds (distance) C4'-P energy: -12.038 bonds (distance) P-C4' energy: -12.871 flat angles C4'-P-C4' energy: -13.385 flat angles P-C4'-P energy: -5.296 tors. eta vs tors. theta energy: -6.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -75.768166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.768166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.768166 (E_RNA) where: Base-Base interactions energy: -21.303 where: short stacking energy: -21.303 Base-Backbone interact. energy: 0.930 local terms energy: -55.395003 where: bonds (distance) C4'-P energy: -14.770 bonds (distance) P-C4' energy: -15.258 flat angles C4'-P-C4' energy: -15.392 flat angles P-C4'-P energy: -8.231 tors. eta vs tors. theta energy: -1.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -215.716792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.716792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.716792 (E_RNA) where: Base-Base interactions energy: -146.589 where: short stacking energy: -66.770 Base-Backbone interact. energy: -0.002 local terms energy: -69.125998 where: bonds (distance) C4'-P energy: -13.264 bonds (distance) P-C4' energy: -14.292 flat angles C4'-P-C4' energy: -15.622 flat angles P-C4'-P energy: -8.493 tors. eta vs tors. theta energy: -17.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -199.184150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.184150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.184150 (E_RNA) where: Base-Base interactions energy: -132.375 where: short stacking energy: -61.908 Base-Backbone interact. energy: 1.040 local terms energy: -67.848952 where: bonds (distance) C4'-P energy: -13.446 bonds (distance) P-C4' energy: -14.684 flat angles C4'-P-C4' energy: -14.631 flat angles P-C4'-P energy: -9.534 tors. eta vs tors. theta energy: -15.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -202.524129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.524129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.524129 (E_RNA) where: Base-Base interactions energy: -140.242 where: short stacking energy: -61.036 Base-Backbone interact. energy: -0.010 local terms energy: -62.271178 where: bonds (distance) C4'-P energy: -10.415 bonds (distance) P-C4' energy: -9.954 flat angles C4'-P-C4' energy: -14.440 flat angles P-C4'-P energy: -9.010 tors. eta vs tors. theta energy: -18.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -176.928410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.928410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.928410 (E_RNA) where: Base-Base interactions energy: -117.934 where: short stacking energy: -54.892 Base-Backbone interact. energy: -0.006 local terms energy: -58.988432 where: bonds (distance) C4'-P energy: -10.727 bonds (distance) P-C4' energy: -15.873 flat angles C4'-P-C4' energy: -12.417 flat angles P-C4'-P energy: -7.261 tors. eta vs tors. theta energy: -12.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -186.639996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.639996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.639996 (E_RNA) where: Base-Base interactions energy: -117.375 where: short stacking energy: -58.863 Base-Backbone interact. energy: -0.050 local terms energy: -69.214801 where: bonds (distance) C4'-P energy: -12.245 bonds (distance) P-C4' energy: -12.595 flat angles C4'-P-C4' energy: -17.296 flat angles P-C4'-P energy: -12.102 tors. eta vs tors. theta energy: -14.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -188.478045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.478045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.478045 (E_RNA) where: Base-Base interactions energy: -120.605 where: short stacking energy: -50.653 Base-Backbone interact. energy: -0.250 local terms energy: -67.622412 where: bonds (distance) C4'-P energy: -15.440 bonds (distance) P-C4' energy: -12.376 flat angles C4'-P-C4' energy: -14.573 flat angles P-C4'-P energy: -12.431 tors. eta vs tors. theta energy: -12.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -171.045658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.045658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.045658 (E_RNA) where: Base-Base interactions energy: -104.434 where: short stacking energy: -52.605 Base-Backbone interact. energy: -0.503 local terms energy: -66.108686 where: bonds (distance) C4'-P energy: -8.983 bonds (distance) P-C4' energy: -16.830 flat angles C4'-P-C4' energy: -17.117 flat angles P-C4'-P energy: -11.946 tors. eta vs tors. theta energy: -11.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -185.934717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.934717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.934717 (E_RNA) where: Base-Base interactions energy: -128.377 where: short stacking energy: -52.514 Base-Backbone interact. energy: -0.465 local terms energy: -57.092629 where: bonds (distance) C4'-P energy: -10.080 bonds (distance) P-C4' energy: -10.447 flat angles C4'-P-C4' energy: -11.819 flat angles P-C4'-P energy: -6.934 tors. eta vs tors. theta energy: -17.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -80.312971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.312971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.312971 (E_RNA) where: Base-Base interactions energy: -36.829 where: short stacking energy: -24.391 Base-Backbone interact. energy: 0.316 local terms energy: -43.799931 where: bonds (distance) C4'-P energy: -12.903 bonds (distance) P-C4' energy: -12.285 flat angles C4'-P-C4' energy: -9.661 flat angles P-C4'-P energy: -8.311 tors. eta vs tors. theta energy: -0.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -78.124912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.124912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.124912 (E_RNA) where: Base-Base interactions energy: -28.300 where: short stacking energy: -30.200 Base-Backbone interact. energy: -0.346 local terms energy: -49.478745 where: bonds (distance) C4'-P energy: -9.777 bonds (distance) P-C4' energy: -14.359 flat angles C4'-P-C4' energy: -9.653 flat angles P-C4'-P energy: -7.608 tors. eta vs tors. theta energy: -8.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -212.687624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.687624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.687624 (E_RNA) where: Base-Base interactions energy: -135.416 where: short stacking energy: -63.546 Base-Backbone interact. energy: -0.000 local terms energy: -77.270946 where: bonds (distance) C4'-P energy: -13.748 bonds (distance) P-C4' energy: -17.312 flat angles C4'-P-C4' energy: -16.908 flat angles P-C4'-P energy: -11.423 tors. eta vs tors. theta energy: -17.879 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: 10 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -201.847699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.847699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.847699 (E_RNA) where: Base-Base interactions energy: -133.618 where: short stacking energy: -55.554 Base-Backbone interact. energy: -0.094 local terms energy: -68.136178 where: bonds (distance) C4'-P energy: -14.781 bonds (distance) P-C4' energy: -15.970 flat angles C4'-P-C4' energy: -13.459 flat angles P-C4'-P energy: -11.148 tors. eta vs tors. theta energy: -12.779 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: 3, replica: 1 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -192.451932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.451932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.451932 (E_RNA) where: Base-Base interactions energy: -123.346 where: short stacking energy: -49.553 Base-Backbone interact. energy: -0.294 local terms energy: -68.812731 where: bonds (distance) C4'-P energy: -15.524 bonds (distance) P-C4' energy: -13.405 flat angles C4'-P-C4' energy: -14.838 flat angles P-C4'-P energy: -10.002 tors. eta vs tors. theta energy: -15.044 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: 5 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -187.139339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.139339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.139339 (E_RNA) where: Base-Base interactions energy: -121.607 where: short stacking energy: -63.251 Base-Backbone interact. energy: -0.031 local terms energy: -65.501601 where: bonds (distance) C4'-P energy: -13.835 bonds (distance) P-C4' energy: -11.585 flat angles C4'-P-C4' energy: -14.373 flat angles P-C4'-P energy: -9.797 tors. eta vs tors. theta energy: -15.911 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: 4 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -180.340822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.340822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.340822 (E_RNA) where: Base-Base interactions energy: -108.199 where: short stacking energy: -54.156 Base-Backbone interact. energy: -0.015 local terms energy: -72.127394 where: bonds (distance) C4'-P energy: -13.024 bonds (distance) P-C4' energy: -17.581 flat angles C4'-P-C4' energy: -14.480 flat angles P-C4'-P energy: -10.387 tors. eta vs tors. theta energy: -16.656 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: 3 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -196.370248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.370248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.370248 (E_RNA) where: Base-Base interactions energy: -139.837 where: short stacking energy: -50.963 Base-Backbone interact. energy: -0.214 local terms energy: -56.319676 where: bonds (distance) C4'-P energy: -10.553 bonds (distance) P-C4' energy: -9.435 flat angles C4'-P-C4' energy: -15.511 flat angles P-C4'-P energy: -9.196 tors. eta vs tors. theta energy: -11.625 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: 7, replica: 7 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -159.228945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.228945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.228945 (E_RNA) where: Base-Base interactions energy: -100.695 where: short stacking energy: -47.542 Base-Backbone interact. energy: -0.399 local terms energy: -58.135228 where: bonds (distance) C4'-P energy: -13.718 bonds (distance) P-C4' energy: -12.893 flat angles C4'-P-C4' energy: -13.517 flat angles P-C4'-P energy: -10.084 tors. eta vs tors. theta energy: -7.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -92.302790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.302790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.302790 (E_RNA) where: Base-Base interactions energy: -43.215 where: short stacking energy: -31.903 Base-Backbone interact. energy: -0.271 local terms energy: -48.816423 where: bonds (distance) C4'-P energy: -15.727 bonds (distance) P-C4' energy: -15.750 flat angles C4'-P-C4' energy: -9.906 flat angles P-C4'-P energy: -7.570 tors. eta vs tors. theta energy: 0.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -171.669760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.669760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.669760 (E_RNA) where: Base-Base interactions energy: -107.944 where: short stacking energy: -46.723 Base-Backbone interact. energy: -0.086 local terms energy: -63.638887 where: bonds (distance) C4'-P energy: -13.006 bonds (distance) P-C4' energy: -13.796 flat angles C4'-P-C4' energy: -12.474 flat angles P-C4'-P energy: -10.216 tors. eta vs tors. theta energy: -14.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -75.641450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.641450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.641450 (E_RNA) where: Base-Base interactions energy: -26.850 where: short stacking energy: -26.850 Base-Backbone interact. energy: -0.042 local terms energy: -48.749123 where: bonds (distance) C4'-P energy: -14.443 bonds (distance) P-C4' energy: -14.354 flat angles C4'-P-C4' energy: -13.265 flat angles P-C4'-P energy: -7.162 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: 1, replica: 6 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -220.563786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.563786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.563786 (E_RNA) where: Base-Base interactions energy: -154.471 where: short stacking energy: -69.576 Base-Backbone interact. energy: -0.281 local terms energy: -65.811589 where: bonds (distance) C4'-P energy: -15.747 bonds (distance) P-C4' energy: -9.880 flat angles C4'-P-C4' energy: -12.638 flat angles P-C4'-P energy: -8.643 tors. eta vs tors. theta energy: -18.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -199.372577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.372577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.372577 (E_RNA) where: Base-Base interactions energy: -140.151 where: short stacking energy: -63.633 Base-Backbone interact. energy: -0.089 local terms energy: -59.132650 where: bonds (distance) C4'-P energy: -11.294 bonds (distance) P-C4' energy: -14.385 flat angles C4'-P-C4' energy: -16.668 flat angles P-C4'-P energy: -4.166 tors. eta vs tors. theta energy: -12.620 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: 3, replica: 5 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -205.927417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.927417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.927417 (E_RNA) where: Base-Base interactions energy: -142.686 where: short stacking energy: -57.679 Base-Backbone interact. energy: -0.279 local terms energy: -62.962998 where: bonds (distance) C4'-P energy: -14.150 bonds (distance) P-C4' energy: -12.423 flat angles C4'-P-C4' energy: -14.795 flat angles P-C4'-P energy: -8.885 tors. eta vs tors. theta energy: -12.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -198.087396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.087396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.087396 (E_RNA) where: Base-Base interactions energy: -128.267 where: short stacking energy: -57.678 Base-Backbone interact. energy: -0.016 local terms energy: -69.803633 where: bonds (distance) C4'-P energy: -13.934 bonds (distance) P-C4' energy: -15.308 flat angles C4'-P-C4' energy: -13.920 flat angles P-C4'-P energy: -11.912 tors. eta vs tors. theta energy: -14.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -189.467252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.467252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.467252 (E_RNA) where: Base-Base interactions energy: -134.292 where: short stacking energy: -58.144 Base-Backbone interact. energy: -0.581 local terms energy: -54.593608 where: bonds (distance) C4'-P energy: -13.118 bonds (distance) P-C4' energy: -13.399 flat angles C4'-P-C4' energy: -6.893 flat angles P-C4'-P energy: -9.041 tors. eta vs tors. theta energy: -12.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -155.721391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.721391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.721391 (E_RNA) where: Base-Base interactions energy: -101.185 where: short stacking energy: -45.427 Base-Backbone interact. energy: -0.228 local terms energy: -54.307973 where: bonds (distance) C4'-P energy: -7.488 bonds (distance) P-C4' energy: -15.738 flat angles C4'-P-C4' energy: -9.937 flat angles P-C4'-P energy: -11.470 tors. eta vs tors. theta energy: -9.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -89.143768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.143768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.143768 (E_RNA) where: Base-Base interactions energy: -42.541 where: short stacking energy: -28.229 Base-Backbone interact. energy: -0.810 local terms energy: -45.793423 where: bonds (distance) C4'-P energy: -13.331 bonds (distance) P-C4' energy: -6.841 flat angles C4'-P-C4' energy: -15.549 flat angles P-C4'-P energy: -8.007 tors. eta vs tors. theta energy: -2.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -163.534269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.534269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.534269 (E_RNA) where: Base-Base interactions energy: -117.101 where: short stacking energy: -37.329 Base-Backbone interact. energy: -0.244 local terms energy: -46.188991 where: bonds (distance) C4'-P energy: -12.508 bonds (distance) P-C4' energy: -14.458 flat angles C4'-P-C4' energy: -4.034 flat angles P-C4'-P energy: -5.217 tors. eta vs tors. theta energy: -9.971 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: 8 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -161.482200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.482200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.482200 (E_RNA) where: Base-Base interactions energy: -107.315 where: short stacking energy: -44.595 Base-Backbone interact. energy: -0.183 local terms energy: -53.983969 where: bonds (distance) C4'-P energy: -13.686 bonds (distance) P-C4' energy: -14.357 flat angles C4'-P-C4' energy: -12.344 flat angles P-C4'-P energy: -8.306 tors. eta vs tors. theta energy: -5.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -75.151366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.151366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.151366 (E_RNA) where: Base-Base interactions energy: -31.470 where: short stacking energy: -22.701 Base-Backbone interact. energy: -0.130 local terms energy: -43.551738 where: bonds (distance) C4'-P energy: -11.327 bonds (distance) P-C4' energy: -12.312 flat angles C4'-P-C4' energy: -13.729 flat angles P-C4'-P energy: -6.505 tors. eta vs tors. theta energy: 0.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -215.857332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.857332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.857332 (E_RNA) where: Base-Base interactions energy: -146.458 where: short stacking energy: -61.847 Base-Backbone interact. energy: 0.433 local terms energy: -69.832931 where: bonds (distance) C4'-P energy: -14.617 bonds (distance) P-C4' energy: -13.948 flat angles C4'-P-C4' energy: -11.699 flat angles P-C4'-P energy: -10.109 tors. eta vs tors. theta energy: -19.459 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: 5 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -211.883509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.883509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.883509 (E_RNA) where: Base-Base interactions energy: -145.944 where: short stacking energy: -60.600 Base-Backbone interact. energy: -0.445 local terms energy: -65.494700 where: bonds (distance) C4'-P energy: -12.174 bonds (distance) P-C4' energy: -13.471 flat angles C4'-P-C4' energy: -15.234 flat angles P-C4'-P energy: -12.410 tors. eta vs tors. theta energy: -12.206 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: 10 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -193.573711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.573711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.573711 (E_RNA) where: Base-Base interactions energy: -124.205 where: short stacking energy: -52.324 Base-Backbone interact. energy: -0.159 local terms energy: -69.209631 where: bonds (distance) C4'-P energy: -15.515 bonds (distance) P-C4' energy: -16.435 flat angles C4'-P-C4' energy: -14.915 flat angles P-C4'-P energy: -9.990 tors. eta vs tors. theta energy: -12.355 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: 3 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -193.542545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.542545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.542545 (E_RNA) where: Base-Base interactions energy: -128.179 where: short stacking energy: -56.818 Base-Backbone interact. energy: -0.072 local terms energy: -65.291824 where: bonds (distance) C4'-P energy: -13.888 bonds (distance) P-C4' energy: -13.303 flat angles C4'-P-C4' energy: -11.079 flat angles P-C4'-P energy: -12.220 tors. eta vs tors. theta energy: -14.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -177.364853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.364853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.364853 (E_RNA) where: Base-Base interactions energy: -113.045 where: short stacking energy: -44.839 Base-Backbone interact. energy: -0.120 local terms energy: -64.199589 where: bonds (distance) C4'-P energy: -13.984 bonds (distance) P-C4' energy: -16.576 flat angles C4'-P-C4' energy: -13.761 flat angles P-C4'-P energy: -6.955 tors. eta vs tors. theta energy: -12.923 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: 4 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -164.391824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.391824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.391824 (E_RNA) where: Base-Base interactions energy: -105.016 where: short stacking energy: -53.804 Base-Backbone interact. energy: -0.005 local terms energy: -59.370800 where: bonds (distance) C4'-P energy: -12.024 bonds (distance) P-C4' energy: -10.651 flat angles C4'-P-C4' energy: -14.247 flat angles P-C4'-P energy: -9.470 tors. eta vs tors. theta energy: -12.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -126.855031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.855031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.855031 (E_RNA) where: Base-Base interactions energy: -80.703 where: short stacking energy: -32.758 Base-Backbone interact. energy: -0.130 local terms energy: -46.022494 where: bonds (distance) C4'-P energy: -10.382 bonds (distance) P-C4' energy: -8.977 flat angles C4'-P-C4' energy: -14.488 flat angles P-C4'-P energy: -6.968 tors. eta vs tors. theta energy: -5.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -165.897346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.897346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.897346 (E_RNA) where: Base-Base interactions energy: -118.233 where: short stacking energy: -44.785 Base-Backbone interact. energy: -0.582 local terms energy: -47.082409 where: bonds (distance) C4'-P energy: -10.334 bonds (distance) P-C4' energy: -14.179 flat angles C4'-P-C4' energy: -12.519 flat angles P-C4'-P energy: -5.453 tors. eta vs tors. theta energy: -4.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -176.809883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.809883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.809883 (E_RNA) where: Base-Base interactions energy: -123.273 where: short stacking energy: -46.704 Base-Backbone interact. energy: -1.036 local terms energy: -52.501020 where: bonds (distance) C4'-P energy: -11.892 bonds (distance) P-C4' energy: -15.587 flat angles C4'-P-C4' energy: -11.678 flat angles P-C4'-P energy: 0.532 tors. eta vs tors. theta energy: -13.876 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: 2 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -83.070167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.070167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.070167 (E_RNA) where: Base-Base interactions energy: -32.646 where: short stacking energy: -28.079 Base-Backbone interact. energy: 0.227 local terms energy: -50.651881 where: bonds (distance) C4'-P energy: -14.988 bonds (distance) P-C4' energy: -8.115 flat angles C4'-P-C4' energy: -12.769 flat angles P-C4'-P energy: -8.532 tors. eta vs tors. theta energy: -6.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -212.082451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.082451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.082451 (E_RNA) where: Base-Base interactions energy: -137.525 where: short stacking energy: -65.389 Base-Backbone interact. energy: -0.087 local terms energy: -74.471119 where: bonds (distance) C4'-P energy: -14.136 bonds (distance) P-C4' energy: -15.268 flat angles C4'-P-C4' energy: -14.480 flat angles P-C4'-P energy: -9.490 tors. eta vs tors. theta energy: -21.096 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: 6 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -219.272687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.272687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.272687 (E_RNA) where: Base-Base interactions energy: -150.571 where: short stacking energy: -57.619 Base-Backbone interact. energy: -0.214 local terms energy: -68.487004 where: bonds (distance) C4'-P energy: -14.075 bonds (distance) P-C4' energy: -14.800 flat angles C4'-P-C4' energy: -15.531 flat angles P-C4'-P energy: -10.911 tors. eta vs tors. theta energy: -13.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -205.015941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.015941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.015941 (E_RNA) where: Base-Base interactions energy: -139.084 where: short stacking energy: -57.347 Base-Backbone interact. energy: -0.034 local terms energy: -65.897706 where: bonds (distance) C4'-P energy: -12.381 bonds (distance) P-C4' energy: -14.615 flat angles C4'-P-C4' energy: -14.855 flat angles P-C4'-P energy: -9.963 tors. eta vs tors. theta energy: -14.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -186.370758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.370758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.370758 (E_RNA) where: Base-Base interactions energy: -125.133 where: short stacking energy: -67.306 Base-Backbone interact. energy: -0.009 local terms energy: -61.228838 where: bonds (distance) C4'-P energy: -9.388 bonds (distance) P-C4' energy: -13.507 flat angles C4'-P-C4' energy: -14.649 flat angles P-C4'-P energy: -8.205 tors. eta vs tors. theta energy: -15.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -188.157128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.157128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.157128 (E_RNA) where: Base-Base interactions energy: -125.290 where: short stacking energy: -55.784 Base-Backbone interact. energy: -0.005 local terms energy: -62.861694 where: bonds (distance) C4'-P energy: -13.508 bonds (distance) P-C4' energy: -12.564 flat angles C4'-P-C4' energy: -15.415 flat angles P-C4'-P energy: -7.667 tors. eta vs tors. theta energy: -13.708 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: 4 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -179.818610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.818610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.818610 (E_RNA) where: Base-Base interactions energy: -118.005 where: short stacking energy: -59.095 Base-Backbone interact. energy: -0.063 local terms energy: -61.750426 where: bonds (distance) C4'-P energy: -14.708 bonds (distance) P-C4' energy: -10.993 flat angles C4'-P-C4' energy: -14.757 flat angles P-C4'-P energy: -9.384 tors. eta vs tors. theta energy: -11.909 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: 8 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -158.550384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.550384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.550384 (E_RNA) where: Base-Base interactions energy: -104.660 where: short stacking energy: -46.462 Base-Backbone interact. energy: -0.426 local terms energy: -53.463830 where: bonds (distance) C4'-P energy: -11.612 bonds (distance) P-C4' energy: -12.286 flat angles C4'-P-C4' energy: -10.744 flat angles P-C4'-P energy: -10.400 tors. eta vs tors. theta energy: -8.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -125.783624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.783624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.783624 (E_RNA) where: Base-Base interactions energy: -75.075 where: short stacking energy: -40.951 Base-Backbone interact. energy: -0.704 local terms energy: -50.004776 where: bonds (distance) C4'-P energy: -10.966 bonds (distance) P-C4' energy: -14.511 flat angles C4'-P-C4' energy: -12.512 flat angles P-C4'-P energy: -8.603 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: 9, replica: 7 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -148.061988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.061988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.061988 (E_RNA) where: Base-Base interactions energy: -98.598 where: short stacking energy: -36.549 Base-Backbone interact. energy: -0.014 local terms energy: -49.449809 where: bonds (distance) C4'-P energy: -13.903 bonds (distance) P-C4' energy: -9.467 flat angles C4'-P-C4' energy: -12.398 flat angles P-C4'-P energy: -5.914 tors. eta vs tors. theta energy: -7.767 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: 476 Temperature: 1.350000 Total energy: -89.809458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.809458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.809458 (E_RNA) where: Base-Base interactions energy: -35.795 where: short stacking energy: -31.828 Base-Backbone interact. energy: -0.124 local terms energy: -53.890831 where: bonds (distance) C4'-P energy: -15.201 bonds (distance) P-C4' energy: -16.121 flat angles C4'-P-C4' energy: -9.873 flat angles P-C4'-P energy: -8.604 tors. eta vs tors. theta energy: -4.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -202.575459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.575459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.575459 (E_RNA) where: Base-Base interactions energy: -129.162 where: short stacking energy: -62.245 Base-Backbone interact. energy: -0.213 local terms energy: -73.201137 where: bonds (distance) C4'-P energy: -16.083 bonds (distance) P-C4' energy: -12.445 flat angles C4'-P-C4' energy: -14.393 flat angles P-C4'-P energy: -11.226 tors. eta vs tors. theta energy: -19.054 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: 6 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -205.627124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.627124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.627124 (E_RNA) where: Base-Base interactions energy: -140.074 where: short stacking energy: -48.724 Base-Backbone interact. energy: -0.260 local terms energy: -65.292764 where: bonds (distance) C4'-P energy: -12.066 bonds (distance) P-C4' energy: -17.109 flat angles C4'-P-C4' energy: -13.809 flat angles P-C4'-P energy: -6.245 tors. eta vs tors. theta energy: -16.064 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: 3 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -200.014462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.014462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.014462 (E_RNA) where: Base-Base interactions energy: -138.803 where: short stacking energy: -56.252 Base-Backbone interact. energy: -0.671 local terms energy: -60.540416 where: bonds (distance) C4'-P energy: -11.396 bonds (distance) P-C4' energy: -10.661 flat angles C4'-P-C4' energy: -13.690 flat angles P-C4'-P energy: -10.960 tors. eta vs tors. theta energy: -13.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -197.326976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.326976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.326976 (E_RNA) where: Base-Base interactions energy: -132.916 where: short stacking energy: -58.474 Base-Backbone interact. energy: -0.011 local terms energy: -64.399878 where: bonds (distance) C4'-P energy: -13.856 bonds (distance) P-C4' energy: -12.395 flat angles C4'-P-C4' energy: -12.488 flat angles P-C4'-P energy: -8.247 tors. eta vs tors. theta energy: -17.415 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: 10 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -170.846329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.846329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.846329 (E_RNA) where: Base-Base interactions energy: -107.389 where: short stacking energy: -48.192 Base-Backbone interact. energy: -0.065 local terms energy: -63.392041 where: bonds (distance) C4'-P energy: -14.042 bonds (distance) P-C4' energy: -14.867 flat angles C4'-P-C4' energy: -15.311 flat angles P-C4'-P energy: -7.552 tors. eta vs tors. theta energy: -11.620 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: 8 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -188.430291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.430291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.430291 (E_RNA) where: Base-Base interactions energy: -129.559 where: short stacking energy: -62.332 Base-Backbone interact. energy: -0.190 local terms energy: -58.681006 where: bonds (distance) C4'-P energy: -13.028 bonds (distance) P-C4' energy: -11.710 flat angles C4'-P-C4' energy: -11.444 flat angles P-C4'-P energy: -7.358 tors. eta vs tors. theta energy: -15.141 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: 4 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -176.903282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.903282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.903282 (E_RNA) where: Base-Base interactions energy: -115.338 where: short stacking energy: -46.592 Base-Backbone interact. energy: -0.371 local terms energy: -61.194452 where: bonds (distance) C4'-P energy: -12.855 bonds (distance) P-C4' energy: -15.762 flat angles C4'-P-C4' energy: -11.912 flat angles P-C4'-P energy: -7.743 tors. eta vs tors. theta energy: -12.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -156.694288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.694288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.694288 (E_RNA) where: Base-Base interactions energy: -105.641 where: short stacking energy: -46.331 Base-Backbone interact. energy: -0.494 local terms energy: -50.559234 where: bonds (distance) C4'-P energy: -11.988 bonds (distance) P-C4' energy: -10.219 flat angles C4'-P-C4' energy: -8.859 flat angles P-C4'-P energy: -9.727 tors. eta vs tors. theta energy: -9.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -152.137311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.137311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.137311 (E_RNA) where: Base-Base interactions energy: -99.406 where: short stacking energy: -41.943 Base-Backbone interact. energy: -0.140 local terms energy: -52.591843 where: bonds (distance) C4'-P energy: -12.356 bonds (distance) P-C4' energy: -14.138 flat angles C4'-P-C4' energy: -15.269 flat angles P-C4'-P energy: -4.008 tors. eta vs tors. theta energy: -6.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -87.628711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.628711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.628711 (E_RNA) where: Base-Base interactions energy: -30.331 where: short stacking energy: -28.830 Base-Backbone interact. energy: -0.048 local terms energy: -57.249311 where: bonds (distance) C4'-P energy: -13.412 bonds (distance) P-C4' energy: -14.493 flat angles C4'-P-C4' energy: -11.530 flat angles P-C4'-P energy: -7.648 tors. eta vs tors. theta energy: -10.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -224.795888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.795888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.795888 (E_RNA) where: Base-Base interactions energy: -148.511 where: short stacking energy: -62.257 Base-Backbone interact. energy: -0.069 local terms energy: -76.216548 where: bonds (distance) C4'-P energy: -14.288 bonds (distance) P-C4' energy: -15.576 flat angles C4'-P-C4' energy: -16.871 flat angles P-C4'-P energy: -9.453 tors. eta vs tors. theta energy: -20.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -198.654929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.654929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.654929 (E_RNA) where: Base-Base interactions energy: -130.438 where: short stacking energy: -59.534 Base-Backbone interact. energy: -0.004 local terms energy: -68.213115 where: bonds (distance) C4'-P energy: -12.009 bonds (distance) P-C4' energy: -15.529 flat angles C4'-P-C4' energy: -16.618 flat angles P-C4'-P energy: -10.319 tors. eta vs tors. theta energy: -13.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -195.488654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.488654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.488654 (E_RNA) where: Base-Base interactions energy: -126.191 where: short stacking energy: -51.745 Base-Backbone interact. energy: -0.130 local terms energy: -69.167121 where: bonds (distance) C4'-P energy: -16.439 bonds (distance) P-C4' energy: -15.089 flat angles C4'-P-C4' energy: -13.480 flat angles P-C4'-P energy: -10.043 tors. eta vs tors. theta energy: -14.117 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: 478 Temperature: 1.050000 Total energy: -193.530441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.530441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.530441 (E_RNA) where: Base-Base interactions energy: -126.620 where: short stacking energy: -55.638 Base-Backbone interact. energy: 0.836 local terms energy: -67.746153 where: bonds (distance) C4'-P energy: -13.880 bonds (distance) P-C4' energy: -14.621 flat angles C4'-P-C4' energy: -13.190 flat angles P-C4'-P energy: -11.546 tors. eta vs tors. theta energy: -14.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -180.680729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.680729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.680729 (E_RNA) where: Base-Base interactions energy: -115.496 where: short stacking energy: -43.545 Base-Backbone interact. energy: -0.569 local terms energy: -64.615665 where: bonds (distance) C4'-P energy: -14.874 bonds (distance) P-C4' energy: -12.450 flat angles C4'-P-C4' energy: -15.949 flat angles P-C4'-P energy: -11.120 tors. eta vs tors. theta energy: -10.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -165.181081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.181081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.181081 (E_RNA) where: Base-Base interactions energy: -106.281 where: short stacking energy: -40.247 Base-Backbone interact. energy: -0.104 local terms energy: -58.796588 where: bonds (distance) C4'-P energy: -14.364 bonds (distance) P-C4' energy: -13.311 flat angles C4'-P-C4' energy: -11.735 flat angles P-C4'-P energy: -8.791 tors. eta vs tors. theta energy: -10.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -170.898908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.898908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.898908 (E_RNA) where: Base-Base interactions energy: -110.146 where: short stacking energy: -44.929 Base-Backbone interact. energy: -0.007 local terms energy: -60.746116 where: bonds (distance) C4'-P energy: -12.423 bonds (distance) P-C4' energy: -14.779 flat angles C4'-P-C4' energy: -12.820 flat angles P-C4'-P energy: -6.529 tors. eta vs tors. theta energy: -14.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -142.246263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.246263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.246263 (E_RNA) where: Base-Base interactions energy: -91.147 where: short stacking energy: -45.248 Base-Backbone interact. energy: -0.485 local terms energy: -50.614235 where: bonds (distance) C4'-P energy: -13.093 bonds (distance) P-C4' energy: -12.749 flat angles C4'-P-C4' energy: -10.826 flat angles P-C4'-P energy: -6.369 tors. eta vs tors. theta energy: -7.578 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: 9, replica: 9 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -147.991925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.991925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.991925 (E_RNA) where: Base-Base interactions energy: -93.668 where: short stacking energy: -44.660 Base-Backbone interact. energy: -0.529 local terms energy: -53.794690 where: bonds (distance) C4'-P energy: -8.097 bonds (distance) P-C4' energy: -13.691 flat angles C4'-P-C4' energy: -12.687 flat angles P-C4'-P energy: -13.317 tors. eta vs tors. theta energy: -6.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -77.036030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.036030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.036030 (E_RNA) where: Base-Base interactions energy: -28.467 where: short stacking energy: -28.467 Base-Backbone interact. energy: -0.115 local terms energy: -48.454199 where: bonds (distance) C4'-P energy: -13.003 bonds (distance) P-C4' energy: -13.191 flat angles C4'-P-C4' energy: -10.009 flat angles P-C4'-P energy: -7.488 tors. eta vs tors. theta energy: -4.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -214.266425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.266425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.266425 (E_RNA) where: Base-Base interactions energy: -147.500 where: short stacking energy: -64.507 Base-Backbone interact. energy: -0.339 local terms energy: -66.427417 where: bonds (distance) C4'-P energy: -10.850 bonds (distance) P-C4' energy: -14.088 flat angles C4'-P-C4' energy: -16.212 flat angles P-C4'-P energy: -7.555 tors. eta vs tors. theta energy: -17.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -200.104888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.104888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.104888 (E_RNA) where: Base-Base interactions energy: -133.538 where: short stacking energy: -64.723 Base-Backbone interact. energy: -0.029 local terms energy: -66.538444 where: bonds (distance) C4'-P energy: -11.500 bonds (distance) P-C4' energy: -15.177 flat angles C4'-P-C4' energy: -14.883 flat angles P-C4'-P energy: -11.658 tors. eta vs tors. theta energy: -13.320 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: 3 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -187.610612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.610612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.610612 (E_RNA) where: Base-Base interactions energy: -130.062 where: short stacking energy: -54.453 Base-Backbone interact. energy: -0.212 local terms energy: -57.336689 where: bonds (distance) C4'-P energy: -10.841 bonds (distance) P-C4' energy: -13.717 flat angles C4'-P-C4' energy: -11.920 flat angles P-C4'-P energy: -6.384 tors. eta vs tors. theta energy: -14.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -191.675917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.675917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.675917 (E_RNA) where: Base-Base interactions energy: -126.890 where: short stacking energy: -51.111 Base-Backbone interact. energy: -0.024 local terms energy: -64.761437 where: bonds (distance) C4'-P energy: -13.173 bonds (distance) P-C4' energy: -11.718 flat angles C4'-P-C4' energy: -14.901 flat angles P-C4'-P energy: -9.564 tors. eta vs tors. theta energy: -15.406 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: 8 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -167.560300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.560300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.560300 (E_RNA) where: Base-Base interactions energy: -111.613 where: short stacking energy: -40.515 Base-Backbone interact. energy: -0.399 local terms energy: -55.548203 where: bonds (distance) C4'-P energy: -12.973 bonds (distance) P-C4' energy: -15.085 flat angles C4'-P-C4' energy: -11.035 flat angles P-C4'-P energy: -9.747 tors. eta vs tors. theta energy: -6.708 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: 7 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -166.280187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.280187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.280187 (E_RNA) where: Base-Base interactions energy: -106.148 where: short stacking energy: -46.632 Base-Backbone interact. energy: -0.062 local terms energy: -60.070597 where: bonds (distance) C4'-P energy: -15.610 bonds (distance) P-C4' energy: -15.079 flat angles C4'-P-C4' energy: -13.296 flat angles P-C4'-P energy: -6.127 tors. eta vs tors. theta energy: -9.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -152.673680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.673680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.673680 (E_RNA) where: Base-Base interactions energy: -95.097 where: short stacking energy: -34.796 Base-Backbone interact. energy: -0.149 local terms energy: -57.428092 where: bonds (distance) C4'-P energy: -15.110 bonds (distance) P-C4' energy: -13.461 flat angles C4'-P-C4' energy: -12.957 flat angles P-C4'-P energy: -8.764 tors. eta vs tors. theta energy: -7.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -170.691553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.691553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.691553 (E_RNA) where: Base-Base interactions energy: -112.691 where: short stacking energy: -56.748 Base-Backbone interact. energy: -1.476 local terms energy: -56.524147 where: bonds (distance) C4'-P energy: -9.044 bonds (distance) P-C4' energy: -13.281 flat angles C4'-P-C4' energy: -11.833 flat angles P-C4'-P energy: -8.582 tors. eta vs tors. theta energy: -13.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -158.708422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.708422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.708422 (E_RNA) where: Base-Base interactions energy: -105.939 where: short stacking energy: -41.050 Base-Backbone interact. energy: -0.141 local terms energy: -52.628322 where: bonds (distance) C4'-P energy: -10.610 bonds (distance) P-C4' energy: -13.002 flat angles C4'-P-C4' energy: -11.400 flat angles P-C4'-P energy: -9.144 tors. eta vs tors. theta energy: -8.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -74.864776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.864776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.864776 (E_RNA) where: Base-Base interactions energy: -26.083 where: short stacking energy: -23.641 Base-Backbone interact. energy: -0.039 local terms energy: -48.742257 where: bonds (distance) C4'-P energy: -13.014 bonds (distance) P-C4' energy: -14.505 flat angles C4'-P-C4' energy: -8.657 flat angles P-C4'-P energy: -10.398 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: 5 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -209.632396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.632396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.632396 (E_RNA) where: Base-Base interactions energy: -143.363 where: short stacking energy: -68.326 Base-Backbone interact. energy: -0.000 local terms energy: -66.269576 where: bonds (distance) C4'-P energy: -14.705 bonds (distance) P-C4' energy: -14.260 flat angles C4'-P-C4' energy: -17.143 flat angles P-C4'-P energy: -1.670 tors. eta vs tors. theta energy: -18.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -211.934586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.934586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.934586 (E_RNA) where: Base-Base interactions energy: -139.242 where: short stacking energy: -62.158 Base-Backbone interact. energy: -0.162 local terms energy: -72.530472 where: bonds (distance) C4'-P energy: -13.788 bonds (distance) P-C4' energy: -15.582 flat angles C4'-P-C4' energy: -14.943 flat angles P-C4'-P energy: -9.396 tors. eta vs tors. theta energy: -18.822 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: 1 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -189.955816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.955816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.955816 (E_RNA) where: Base-Base interactions energy: -123.294 where: short stacking energy: -51.071 Base-Backbone interact. energy: -0.025 local terms energy: -66.636862 where: bonds (distance) C4'-P energy: -15.239 bonds (distance) P-C4' energy: -16.600 flat angles C4'-P-C4' energy: -12.147 flat angles P-C4'-P energy: -6.686 tors. eta vs tors. theta energy: -15.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -191.784016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.784016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.784016 (E_RNA) where: Base-Base interactions energy: -133.050 where: short stacking energy: -54.410 Base-Backbone interact. energy: -1.195 local terms energy: -57.538477 where: bonds (distance) C4'-P energy: -15.672 bonds (distance) P-C4' energy: -9.809 flat angles C4'-P-C4' energy: -8.096 flat angles P-C4'-P energy: -10.419 tors. eta vs tors. theta energy: -13.542 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: 8 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -179.485351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.485351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.485351 (E_RNA) where: Base-Base interactions energy: -120.195 where: short stacking energy: -49.053 Base-Backbone interact. energy: -0.131 local terms energy: -59.159423 where: bonds (distance) C4'-P energy: -14.175 bonds (distance) P-C4' energy: -14.084 flat angles C4'-P-C4' energy: -13.946 flat angles P-C4'-P energy: -7.509 tors. eta vs tors. theta energy: -9.445 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: 7 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -172.384722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.384722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.384722 (E_RNA) where: Base-Base interactions energy: -110.320 where: short stacking energy: -49.905 Base-Backbone interact. energy: 0.019 local terms energy: -62.083646 where: bonds (distance) C4'-P energy: -12.492 bonds (distance) P-C4' energy: -14.634 flat angles C4'-P-C4' energy: -13.458 flat angles P-C4'-P energy: -8.284 tors. eta vs tors. theta energy: -13.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -167.262647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.262647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.262647 (E_RNA) where: Base-Base interactions energy: -110.213 where: short stacking energy: -50.997 Base-Backbone interact. energy: -0.001 local terms energy: -57.048901 where: bonds (distance) C4'-P energy: -11.040 bonds (distance) P-C4' energy: -15.824 flat angles C4'-P-C4' energy: -8.542 flat angles P-C4'-P energy: -7.877 tors. eta vs tors. theta energy: -13.766 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: 10 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -156.154093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.154093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.154093 (E_RNA) where: Base-Base interactions energy: -103.281 where: short stacking energy: -49.950 Base-Backbone interact. energy: -0.069 local terms energy: -52.803976 where: bonds (distance) C4'-P energy: -14.766 bonds (distance) P-C4' energy: -13.684 flat angles C4'-P-C4' energy: -7.616 flat angles P-C4'-P energy: -8.736 tors. eta vs tors. theta energy: -8.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -153.723396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.723396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.723396 (E_RNA) where: Base-Base interactions energy: -97.441 where: short stacking energy: -36.420 Base-Backbone interact. energy: -0.149 local terms energy: -56.133935 where: bonds (distance) C4'-P energy: -13.454 bonds (distance) P-C4' energy: -14.670 flat angles C4'-P-C4' energy: -12.767 flat angles P-C4'-P energy: -4.283 tors. eta vs tors. theta energy: -10.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -69.153319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.153319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.153319 (E_RNA) where: Base-Base interactions energy: -26.001 where: short stacking energy: -20.647 Base-Backbone interact. energy: -0.117 local terms energy: -43.034761 where: bonds (distance) C4'-P energy: -12.764 bonds (distance) P-C4' energy: -11.120 flat angles C4'-P-C4' energy: -12.253 flat angles P-C4'-P energy: -7.636 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: 1, replica: 5 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -213.881963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.881963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.881963 (E_RNA) where: Base-Base interactions energy: -145.580 where: short stacking energy: -70.601 Base-Backbone interact. energy: -0.103 local terms energy: -68.199249 where: bonds (distance) C4'-P energy: -11.836 bonds (distance) P-C4' energy: -14.776 flat angles C4'-P-C4' energy: -14.151 flat angles P-C4'-P energy: -9.310 tors. eta vs tors. theta energy: -18.126 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: 1 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -206.528980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.528980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.528980 (E_RNA) where: Base-Base interactions energy: -137.717 where: short stacking energy: -60.956 Base-Backbone interact. energy: -0.016 local terms energy: -68.795340 where: bonds (distance) C4'-P energy: -13.599 bonds (distance) P-C4' energy: -14.367 flat angles C4'-P-C4' energy: -15.568 flat angles P-C4'-P energy: -12.101 tors. eta vs tors. theta energy: -13.160 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: 6 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -205.539843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.539843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.539843 (E_RNA) where: Base-Base interactions energy: -138.664 where: short stacking energy: -56.016 Base-Backbone interact. energy: 0.117 local terms energy: -66.993491 where: bonds (distance) C4'-P energy: -11.653 bonds (distance) P-C4' energy: -16.737 flat angles C4'-P-C4' energy: -11.102 flat angles P-C4'-P energy: -12.723 tors. eta vs tors. theta energy: -14.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -198.600421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.600421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.600421 (E_RNA) where: Base-Base interactions energy: -131.887 where: short stacking energy: -52.260 Base-Backbone interact. energy: -0.019 local terms energy: -66.694408 where: bonds (distance) C4'-P energy: -10.129 bonds (distance) P-C4' energy: -14.709 flat angles C4'-P-C4' energy: -10.342 flat angles P-C4'-P energy: -12.839 tors. eta vs tors. theta energy: -18.675 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: 8 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -183.130476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.130476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.130476 (E_RNA) where: Base-Base interactions energy: -116.475 where: short stacking energy: -48.328 Base-Backbone interact. energy: -1.153 local terms energy: -65.502615 where: bonds (distance) C4'-P energy: -11.057 bonds (distance) P-C4' energy: -14.643 flat angles C4'-P-C4' energy: -15.205 flat angles P-C4'-P energy: -12.346 tors. eta vs tors. theta energy: -12.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -174.976854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.976854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.976854 (E_RNA) where: Base-Base interactions energy: -119.006 where: short stacking energy: -49.486 Base-Backbone interact. energy: -0.280 local terms energy: -55.690499 where: bonds (distance) C4'-P energy: -10.766 bonds (distance) P-C4' energy: -15.702 flat angles C4'-P-C4' energy: -10.123 flat angles P-C4'-P energy: -8.396 tors. eta vs tors. theta energy: -10.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -168.757160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.757160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.757160 (E_RNA) where: Base-Base interactions energy: -107.371 where: short stacking energy: -52.919 Base-Backbone interact. energy: 1.067 local terms energy: -62.453024 where: bonds (distance) C4'-P energy: -12.278 bonds (distance) P-C4' energy: -12.486 flat angles C4'-P-C4' energy: -13.251 flat angles P-C4'-P energy: -9.020 tors. eta vs tors. theta energy: -15.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -174.253833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.253833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.253833 (E_RNA) where: Base-Base interactions energy: -117.512 where: short stacking energy: -51.721 Base-Backbone interact. energy: 0.185 local terms energy: -56.926964 where: bonds (distance) C4'-P energy: -7.027 bonds (distance) P-C4' energy: -16.128 flat angles C4'-P-C4' energy: -13.050 flat angles P-C4'-P energy: -7.150 tors. eta vs tors. theta energy: -13.572 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: 10 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -151.677381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.677381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.677381 (E_RNA) where: Base-Base interactions energy: -98.158 where: short stacking energy: -34.535 Base-Backbone interact. energy: -0.101 local terms energy: -53.418281 where: bonds (distance) C4'-P energy: -12.761 bonds (distance) P-C4' energy: -13.365 flat angles C4'-P-C4' energy: -8.368 flat angles P-C4'-P energy: -8.363 tors. eta vs tors. theta energy: -10.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -77.241396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.241396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.241396 (E_RNA) where: Base-Base interactions energy: -29.012 where: short stacking energy: -29.012 Base-Backbone interact. energy: -0.019 local terms energy: -48.210992 where: bonds (distance) C4'-P energy: -12.091 bonds (distance) P-C4' energy: -11.897 flat angles C4'-P-C4' energy: -10.985 flat angles P-C4'-P energy: -8.666 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: 1, replica: 1 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -221.700972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.700972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.700972 (E_RNA) where: Base-Base interactions energy: -147.974 where: short stacking energy: -64.003 Base-Backbone interact. energy: -0.711 local terms energy: -73.016078 where: bonds (distance) C4'-P energy: -16.770 bonds (distance) P-C4' energy: -14.811 flat angles C4'-P-C4' energy: -13.451 flat angles P-C4'-P energy: -11.334 tors. eta vs tors. theta energy: -16.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -206.304447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.304447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.304447 (E_RNA) where: Base-Base interactions energy: -134.954 where: short stacking energy: -62.925 Base-Backbone interact. energy: -0.108 local terms energy: -71.242330 where: bonds (distance) C4'-P energy: -15.097 bonds (distance) P-C4' energy: -16.083 flat angles C4'-P-C4' energy: -14.217 flat angles P-C4'-P energy: -7.709 tors. eta vs tors. theta energy: -18.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -210.232315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.232315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.232315 (E_RNA) where: Base-Base interactions energy: -140.912 where: short stacking energy: -55.485 Base-Backbone interact. energy: -0.052 local terms energy: -69.268959 where: bonds (distance) C4'-P energy: -10.471 bonds (distance) P-C4' energy: -18.236 flat angles C4'-P-C4' energy: -12.539 flat angles P-C4'-P energy: -10.579 tors. eta vs tors. theta energy: -17.444 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: 4, replica: 3 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -198.240897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.240897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.240897 (E_RNA) where: Base-Base interactions energy: -135.362 where: short stacking energy: -56.004 Base-Backbone interact. energy: -0.088 local terms energy: -62.790705 where: bonds (distance) C4'-P energy: -13.910 bonds (distance) P-C4' energy: -14.413 flat angles C4'-P-C4' energy: -13.951 flat angles P-C4'-P energy: -11.551 tors. eta vs tors. theta energy: -8.965 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: 9 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -182.671633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.671633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.671633 (E_RNA) where: Base-Base interactions energy: -122.860 where: short stacking energy: -55.025 Base-Backbone interact. energy: -0.072 local terms energy: -59.739743 where: bonds (distance) C4'-P energy: -11.108 bonds (distance) P-C4' energy: -16.566 flat angles C4'-P-C4' energy: -10.708 flat angles P-C4'-P energy: -7.735 tors. eta vs tors. theta energy: -13.623 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: 8 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -173.761071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.761071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.761071 (E_RNA) where: Base-Base interactions energy: -116.576 where: short stacking energy: -46.466 Base-Backbone interact. energy: -0.101 local terms energy: -57.083894 where: bonds (distance) C4'-P energy: -13.392 bonds (distance) P-C4' energy: -14.299 flat angles C4'-P-C4' energy: -11.451 flat angles P-C4'-P energy: -3.533 tors. eta vs tors. theta energy: -14.408 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: 4 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -180.948535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.948535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.948535 (E_RNA) where: Base-Base interactions energy: -121.365 where: short stacking energy: -48.249 Base-Backbone interact. energy: 0.949 local terms energy: -60.532653 where: bonds (distance) C4'-P energy: -13.958 bonds (distance) P-C4' energy: -13.733 flat angles C4'-P-C4' energy: -11.497 flat angles P-C4'-P energy: -7.946 tors. eta vs tors. theta energy: -13.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -159.130789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.130789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.130789 (E_RNA) where: Base-Base interactions energy: -106.497 where: short stacking energy: -46.028 Base-Backbone interact. energy: -0.037 local terms energy: -52.597575 where: bonds (distance) C4'-P energy: -6.528 bonds (distance) P-C4' energy: -15.878 flat angles C4'-P-C4' energy: -8.488 flat angles P-C4'-P energy: -9.853 tors. eta vs tors. theta energy: -11.851 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: 482 Temperature: 1.300000 Total energy: -156.345776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.345776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.345776 (E_RNA) where: Base-Base interactions energy: -107.192 where: short stacking energy: -39.120 Base-Backbone interact. energy: -0.192 local terms energy: -48.962127 where: bonds (distance) C4'-P energy: -8.300 bonds (distance) P-C4' energy: -11.756 flat angles C4'-P-C4' energy: -12.492 flat angles P-C4'-P energy: -9.486 tors. eta vs tors. theta energy: -6.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -104.212172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.212172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.212172 (E_RNA) where: Base-Base interactions energy: -51.342 where: short stacking energy: -26.177 Base-Backbone interact. energy: -0.136 local terms energy: -52.734534 where: bonds (distance) C4'-P energy: -10.076 bonds (distance) P-C4' energy: -14.687 flat angles C4'-P-C4' energy: -9.596 flat angles P-C4'-P energy: -9.394 tors. eta vs tors. theta energy: -8.982 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: 1 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -216.399566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.399566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.399566 (E_RNA) where: Base-Base interactions energy: -147.463 where: short stacking energy: -64.061 Base-Backbone interact. energy: -1.156 local terms energy: -67.779735 where: bonds (distance) C4'-P energy: -13.987 bonds (distance) P-C4' energy: -14.259 flat angles C4'-P-C4' energy: -14.679 flat angles P-C4'-P energy: -7.905 tors. eta vs tors. theta energy: -16.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -209.098903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.098903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.098903 (E_RNA) where: Base-Base interactions energy: -139.471 where: short stacking energy: -60.785 Base-Backbone interact. energy: -0.106 local terms energy: -69.521875 where: bonds (distance) C4'-P energy: -11.975 bonds (distance) P-C4' energy: -14.169 flat angles C4'-P-C4' energy: -15.139 flat angles P-C4'-P energy: -10.177 tors. eta vs tors. theta energy: -18.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -202.397477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.397477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.397477 (E_RNA) where: Base-Base interactions energy: -133.425 where: short stacking energy: -54.334 Base-Backbone interact. energy: -0.016 local terms energy: -68.956260 where: bonds (distance) C4'-P energy: -14.990 bonds (distance) P-C4' energy: -12.747 flat angles C4'-P-C4' energy: -15.781 flat angles P-C4'-P energy: -9.108 tors. eta vs tors. theta energy: -16.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -183.580330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.580330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.580330 (E_RNA) where: Base-Base interactions energy: -122.706 where: short stacking energy: -61.073 Base-Backbone interact. energy: -0.012 local terms energy: -60.862281 where: bonds (distance) C4'-P energy: -10.250 bonds (distance) P-C4' energy: -11.999 flat angles C4'-P-C4' energy: -13.467 flat angles P-C4'-P energy: -7.290 tors. eta vs tors. theta energy: -17.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -183.438326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.438326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.438326 (E_RNA) where: Base-Base interactions energy: -119.450 where: short stacking energy: -56.202 Base-Backbone interact. energy: -0.006 local terms energy: -63.982473 where: bonds (distance) C4'-P energy: -14.312 bonds (distance) P-C4' energy: -15.551 flat angles C4'-P-C4' energy: -15.575 flat angles P-C4'-P energy: -8.246 tors. eta vs tors. theta energy: -10.298 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: 4 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -182.372982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.372982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.372982 (E_RNA) where: Base-Base interactions energy: -117.874 where: short stacking energy: -46.785 Base-Backbone interact. energy: -0.135 local terms energy: -64.363730 where: bonds (distance) C4'-P energy: -14.928 bonds (distance) P-C4' energy: -16.735 flat angles C4'-P-C4' energy: -12.313 flat angles P-C4'-P energy: -9.389 tors. eta vs tors. theta energy: -10.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -165.721383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.721383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.721383 (E_RNA) where: Base-Base interactions energy: -105.644 where: short stacking energy: -44.925 Base-Backbone interact. energy: -0.190 local terms energy: -59.887382 where: bonds (distance) C4'-P energy: -15.652 bonds (distance) P-C4' energy: -10.793 flat angles C4'-P-C4' energy: -12.864 flat angles P-C4'-P energy: -5.484 tors. eta vs tors. theta energy: -15.094 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: 10 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -159.503137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.503137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.503137 (E_RNA) where: Base-Base interactions energy: -98.392 where: short stacking energy: -43.286 Base-Backbone interact. energy: -0.231 local terms energy: -60.879433 where: bonds (distance) C4'-P energy: -8.745 bonds (distance) P-C4' energy: -17.516 flat angles C4'-P-C4' energy: -12.960 flat angles P-C4'-P energy: -11.071 tors. eta vs tors. theta energy: -10.587 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: 9, replica: 7 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -128.313875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.313875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.313875 (E_RNA) where: Base-Base interactions energy: -83.870 where: short stacking energy: -40.828 Base-Backbone interact. energy: 0.820 local terms energy: -45.263575 where: bonds (distance) C4'-P energy: -8.326 bonds (distance) P-C4' energy: -10.369 flat angles C4'-P-C4' energy: -12.300 flat angles P-C4'-P energy: -4.059 tors. eta vs tors. theta energy: -10.210 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: 2 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -84.741746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.741746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.741746 (E_RNA) where: Base-Base interactions energy: -27.308 where: short stacking energy: -20.564 Base-Backbone interact. energy: 0.056 local terms energy: -57.489363 where: bonds (distance) C4'-P energy: -13.265 bonds (distance) P-C4' energy: -16.382 flat angles C4'-P-C4' energy: -13.201 flat angles P-C4'-P energy: -11.790 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: 1, replica: 6 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -207.558412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.558412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.558412 (E_RNA) where: Base-Base interactions energy: -139.691 where: short stacking energy: -64.291 Base-Backbone interact. energy: -0.167 local terms energy: -67.701195 where: bonds (distance) C4'-P energy: -15.094 bonds (distance) P-C4' energy: -13.253 flat angles C4'-P-C4' energy: -14.015 flat angles P-C4'-P energy: -8.225 tors. eta vs tors. theta energy: -17.115 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: 1 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -218.601825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.601825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.601825 (E_RNA) where: Base-Base interactions energy: -155.886 where: short stacking energy: -65.775 Base-Backbone interact. energy: -0.697 local terms energy: -62.018359 where: bonds (distance) C4'-P energy: -12.014 bonds (distance) P-C4' energy: -15.774 flat angles C4'-P-C4' energy: -10.923 flat angles P-C4'-P energy: -6.634 tors. eta vs tors. theta energy: -16.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -191.157813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.157813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.157813 (E_RNA) where: Base-Base interactions energy: -121.912 where: short stacking energy: -63.934 Base-Backbone interact. energy: -0.029 local terms energy: -69.217091 where: bonds (distance) C4'-P energy: -12.335 bonds (distance) P-C4' energy: -17.738 flat angles C4'-P-C4' energy: -13.924 flat angles P-C4'-P energy: -8.550 tors. eta vs tors. theta energy: -16.670 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: 5 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -197.783130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.783130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.783130 (E_RNA) where: Base-Base interactions energy: -137.878 where: short stacking energy: -63.146 Base-Backbone interact. energy: -0.205 local terms energy: -59.700326 where: bonds (distance) C4'-P energy: -13.806 bonds (distance) P-C4' energy: -11.497 flat angles C4'-P-C4' energy: -15.379 flat angles P-C4'-P energy: -5.499 tors. eta vs tors. theta energy: -13.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -204.742170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.742170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.742170 (E_RNA) where: Base-Base interactions energy: -138.898 where: short stacking energy: -58.787 Base-Backbone interact. energy: -0.002 local terms energy: -65.842031 where: bonds (distance) C4'-P energy: -15.503 bonds (distance) P-C4' energy: -13.153 flat angles C4'-P-C4' energy: -12.976 flat angles P-C4'-P energy: -5.908 tors. eta vs tors. theta energy: -18.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -161.276495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.276495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.276495 (E_RNA) where: Base-Base interactions energy: -105.111 where: short stacking energy: -41.697 Base-Backbone interact. energy: -0.018 local terms energy: -56.146641 where: bonds (distance) C4'-P energy: -11.571 bonds (distance) P-C4' energy: -12.609 flat angles C4'-P-C4' energy: -12.703 flat angles P-C4'-P energy: -11.045 tors. eta vs tors. theta energy: -8.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -158.141732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.141732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.141732 (E_RNA) where: Base-Base interactions energy: -103.798 where: short stacking energy: -37.251 Base-Backbone interact. energy: -0.162 local terms energy: -54.181764 where: bonds (distance) C4'-P energy: -14.335 bonds (distance) P-C4' energy: -17.221 flat angles C4'-P-C4' energy: -12.144 flat angles P-C4'-P energy: -4.926 tors. eta vs tors. theta energy: -5.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -159.304549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.304549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.304549 (E_RNA) where: Base-Base interactions energy: -101.848 where: short stacking energy: -39.850 Base-Backbone interact. energy: -0.348 local terms energy: -57.108847 where: bonds (distance) C4'-P energy: -15.611 bonds (distance) P-C4' energy: -13.869 flat angles C4'-P-C4' energy: -12.308 flat angles P-C4'-P energy: -8.024 tors. eta vs tors. theta energy: -7.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -112.195588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.195588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.195588 (E_RNA) where: Base-Base interactions energy: -62.822 where: short stacking energy: -33.046 Base-Backbone interact. energy: -1.050 local terms energy: -48.323732 where: bonds (distance) C4'-P energy: -9.247 bonds (distance) P-C4' energy: -15.106 flat angles C4'-P-C4' energy: -12.999 flat angles P-C4'-P energy: -6.214 tors. eta vs tors. theta energy: -4.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -75.439648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.439648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.439648 (E_RNA) where: Base-Base interactions energy: -23.660 where: short stacking energy: -20.643 Base-Backbone interact. energy: 2.074 local terms energy: -53.853692 where: bonds (distance) C4'-P energy: -13.127 bonds (distance) P-C4' energy: -16.118 flat angles C4'-P-C4' energy: -11.713 flat angles P-C4'-P energy: -8.115 tors. eta vs tors. theta energy: -4.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -212.358458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.358458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.358458 (E_RNA) where: Base-Base interactions energy: -145.163 where: short stacking energy: -63.528 Base-Backbone interact. energy: 0.235 local terms energy: -67.430921 where: bonds (distance) C4'-P energy: -13.906 bonds (distance) P-C4' energy: -13.961 flat angles C4'-P-C4' energy: -14.053 flat angles P-C4'-P energy: -9.374 tors. eta vs tors. theta energy: -16.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -211.336317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.336317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.336317 (E_RNA) where: Base-Base interactions energy: -144.738 where: short stacking energy: -61.469 Base-Backbone interact. energy: -0.512 local terms energy: -66.085983 where: bonds (distance) C4'-P energy: -14.411 bonds (distance) P-C4' energy: -16.379 flat angles C4'-P-C4' energy: -16.794 flat angles P-C4'-P energy: -2.469 tors. eta vs tors. theta energy: -16.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -190.569542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.569542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.569542 (E_RNA) where: Base-Base interactions energy: -121.733 where: short stacking energy: -62.892 Base-Backbone interact. energy: -0.043 local terms energy: -68.793709 where: bonds (distance) C4'-P energy: -12.476 bonds (distance) P-C4' energy: -14.122 flat angles C4'-P-C4' energy: -12.463 flat angles P-C4'-P energy: -11.497 tors. eta vs tors. theta energy: -18.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -195.728987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.728987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.728987 (E_RNA) where: Base-Base interactions energy: -120.124 where: short stacking energy: -53.367 Base-Backbone interact. energy: -0.344 local terms energy: -75.261068 where: bonds (distance) C4'-P energy: -17.155 bonds (distance) P-C4' energy: -16.247 flat angles C4'-P-C4' energy: -11.671 flat angles P-C4'-P energy: -11.983 tors. eta vs tors. theta energy: -18.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -184.094445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.094445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.094445 (E_RNA) where: Base-Base interactions energy: -115.587 where: short stacking energy: -63.711 Base-Backbone interact. energy: -0.289 local terms energy: -68.218476 where: bonds (distance) C4'-P energy: -11.879 bonds (distance) P-C4' energy: -12.033 flat angles C4'-P-C4' energy: -14.395 flat angles P-C4'-P energy: -11.870 tors. eta vs tors. theta energy: -18.041 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: 10 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -168.164882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.164882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.164882 (E_RNA) where: Base-Base interactions energy: -115.622 where: short stacking energy: -50.531 Base-Backbone interact. energy: 1.860 local terms energy: -54.402285 where: bonds (distance) C4'-P energy: -7.303 bonds (distance) P-C4' energy: -15.727 flat angles C4'-P-C4' energy: -15.074 flat angles P-C4'-P energy: -6.342 tors. eta vs tors. theta energy: -9.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -178.901063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.901063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.901063 (E_RNA) where: Base-Base interactions energy: -115.912 where: short stacking energy: -51.330 Base-Backbone interact. energy: -0.017 local terms energy: -62.971666 where: bonds (distance) C4'-P energy: -13.880 bonds (distance) P-C4' energy: -12.213 flat angles C4'-P-C4' energy: -17.466 flat angles P-C4'-P energy: -5.055 tors. eta vs tors. theta energy: -14.358 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: 8 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -166.951111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.951111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.951111 (E_RNA) where: Base-Base interactions energy: -111.954 where: short stacking energy: -40.064 Base-Backbone interact. energy: -0.829 local terms energy: -54.168198 where: bonds (distance) C4'-P energy: -11.619 bonds (distance) P-C4' energy: -15.864 flat angles C4'-P-C4' energy: -13.654 flat angles P-C4'-P energy: -6.419 tors. eta vs tors. theta energy: -6.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -143.834633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.834633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.834633 (E_RNA) where: Base-Base interactions energy: -96.076 where: short stacking energy: -39.772 Base-Backbone interact. energy: -0.130 local terms energy: -47.628839 where: bonds (distance) C4'-P energy: -9.198 bonds (distance) P-C4' energy: -14.349 flat angles C4'-P-C4' energy: -13.747 flat angles P-C4'-P energy: -2.727 tors. eta vs tors. theta energy: -7.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -83.772740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.772740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.772740 (E_RNA) where: Base-Base interactions energy: -35.718 where: short stacking energy: -29.559 Base-Backbone interact. energy: -0.258 local terms energy: -47.797475 where: bonds (distance) C4'-P energy: -11.315 bonds (distance) P-C4' energy: -16.439 flat angles C4'-P-C4' energy: -13.162 flat angles P-C4'-P energy: -7.889 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: 1, replica: 1 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -220.131217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.131217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.131217 (E_RNA) where: Base-Base interactions energy: -144.041 where: short stacking energy: -62.792 Base-Backbone interact. energy: -0.957 local terms energy: -75.134102 where: bonds (distance) C4'-P energy: -14.579 bonds (distance) P-C4' energy: -17.791 flat angles C4'-P-C4' energy: -15.714 flat angles P-C4'-P energy: -7.482 tors. eta vs tors. theta energy: -19.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -208.656287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.656287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.656287 (E_RNA) where: Base-Base interactions energy: -134.002 where: short stacking energy: -60.715 Base-Backbone interact. energy: -0.006 local terms energy: -74.647928 where: bonds (distance) C4'-P energy: -16.303 bonds (distance) P-C4' energy: -15.318 flat angles C4'-P-C4' energy: -15.368 flat angles P-C4'-P energy: -7.539 tors. eta vs tors. theta energy: -20.120 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: 3 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -197.181752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.181752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.181752 (E_RNA) where: Base-Base interactions energy: -131.552 where: short stacking energy: -57.750 Base-Backbone interact. energy: -0.119 local terms energy: -65.511392 where: bonds (distance) C4'-P energy: -12.001 bonds (distance) P-C4' energy: -16.522 flat angles C4'-P-C4' energy: -15.005 flat angles P-C4'-P energy: -5.256 tors. eta vs tors. theta energy: -16.728 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: 9 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -177.611799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.611799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.611799 (E_RNA) where: Base-Base interactions energy: -108.406 where: short stacking energy: -55.345 Base-Backbone interact. energy: -0.258 local terms energy: -68.947781 where: bonds (distance) C4'-P energy: -14.004 bonds (distance) P-C4' energy: -15.007 flat angles C4'-P-C4' energy: -18.203 flat angles P-C4'-P energy: -9.539 tors. eta vs tors. theta energy: -12.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -186.192431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.192431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.192431 (E_RNA) where: Base-Base interactions energy: -125.015 where: short stacking energy: -53.159 Base-Backbone interact. energy: 0.378 local terms energy: -61.555905 where: bonds (distance) C4'-P energy: -12.833 bonds (distance) P-C4' energy: -12.404 flat angles C4'-P-C4' energy: -14.900 flat angles P-C4'-P energy: -9.025 tors. eta vs tors. theta energy: -12.394 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: 486 Temperature: 1.150000 Total energy: -175.011133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.011133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.011133 (E_RNA) where: Base-Base interactions energy: -116.721 where: short stacking energy: -44.116 Base-Backbone interact. energy: 2.171 local terms energy: -60.462083 where: bonds (distance) C4'-P energy: -12.331 bonds (distance) P-C4' energy: -16.030 flat angles C4'-P-C4' energy: -11.469 flat angles P-C4'-P energy: -11.968 tors. eta vs tors. theta energy: -8.665 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: 7, replica: 4 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -181.414222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.414222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.414222 (E_RNA) where: Base-Base interactions energy: -115.669 where: short stacking energy: -46.600 Base-Backbone interact. energy: -0.069 local terms energy: -65.676448 where: bonds (distance) C4'-P energy: -10.046 bonds (distance) P-C4' energy: -13.989 flat angles C4'-P-C4' energy: -15.960 flat angles P-C4'-P energy: -11.092 tors. eta vs tors. theta energy: -14.590 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: 8 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -166.397716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.397716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.397716 (E_RNA) where: Base-Base interactions energy: -107.461 where: short stacking energy: -43.504 Base-Backbone interact. energy: -0.050 local terms energy: -58.886565 where: bonds (distance) C4'-P energy: -14.071 bonds (distance) P-C4' energy: -12.187 flat angles C4'-P-C4' energy: -13.436 flat angles P-C4'-P energy: -9.048 tors. eta vs tors. theta energy: -10.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -142.994280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.994280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.994280 (E_RNA) where: Base-Base interactions energy: -92.592 where: short stacking energy: -43.375 Base-Backbone interact. energy: -0.618 local terms energy: -49.785154 where: bonds (distance) C4'-P energy: -9.770 bonds (distance) P-C4' energy: -12.562 flat angles C4'-P-C4' energy: -13.615 flat angles P-C4'-P energy: -5.076 tors. eta vs tors. theta energy: -8.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -83.372559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.372559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.372559 (E_RNA) where: Base-Base interactions energy: -36.060 where: short stacking energy: -36.060 Base-Backbone interact. energy: -0.101 local terms energy: -47.211632 where: bonds (distance) C4'-P energy: -10.134 bonds (distance) P-C4' energy: -15.125 flat angles C4'-P-C4' energy: -10.359 flat angles P-C4'-P energy: -7.313 tors. eta vs tors. theta energy: -4.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -215.951864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.951864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.951864 (E_RNA) where: Base-Base interactions energy: -147.842 where: short stacking energy: -68.387 Base-Backbone interact. energy: -0.165 local terms energy: -67.944917 where: bonds (distance) C4'-P energy: -11.533 bonds (distance) P-C4' energy: -15.521 flat angles C4'-P-C4' energy: -15.446 flat angles P-C4'-P energy: -8.811 tors. eta vs tors. theta energy: -16.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -204.010916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.010916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.010916 (E_RNA) where: Base-Base interactions energy: -141.313 where: short stacking energy: -65.431 Base-Backbone interact. energy: -0.007 local terms energy: -62.691632 where: bonds (distance) C4'-P energy: -8.675 bonds (distance) P-C4' energy: -13.519 flat angles C4'-P-C4' energy: -15.730 flat angles P-C4'-P energy: -5.409 tors. eta vs tors. theta energy: -19.358 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: 3, replica: 6 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -194.142464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.142464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.142464 (E_RNA) where: Base-Base interactions energy: -133.345 where: short stacking energy: -57.499 Base-Backbone interact. energy: -0.009 local terms energy: -60.788129 where: bonds (distance) C4'-P energy: -12.795 bonds (distance) P-C4' energy: -12.135 flat angles C4'-P-C4' energy: -10.315 flat angles P-C4'-P energy: -9.709 tors. eta vs tors. theta energy: -15.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -186.805725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.805725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.805725 (E_RNA) where: Base-Base interactions energy: -131.486 where: short stacking energy: -46.689 Base-Backbone interact. energy: -0.153 local terms energy: -55.166464 where: bonds (distance) C4'-P energy: -11.321 bonds (distance) P-C4' energy: -15.222 flat angles C4'-P-C4' energy: -12.247 flat angles P-C4'-P energy: -10.710 tors. eta vs tors. theta energy: -5.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -177.451177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.451177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.451177 (E_RNA) where: Base-Base interactions energy: -119.255 where: short stacking energy: -64.420 Base-Backbone interact. energy: -0.009 local terms energy: -58.187032 where: bonds (distance) C4'-P energy: -10.639 bonds (distance) P-C4' energy: -8.794 flat angles C4'-P-C4' energy: -12.870 flat angles P-C4'-P energy: -9.478 tors. eta vs tors. theta energy: -16.405 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: 4 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -168.815549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.815549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.815549 (E_RNA) where: Base-Base interactions energy: -110.025 where: short stacking energy: -52.233 Base-Backbone interact. energy: -0.314 local terms energy: -58.476163 where: bonds (distance) C4'-P energy: -8.933 bonds (distance) P-C4' energy: -11.083 flat angles C4'-P-C4' energy: -14.687 flat angles P-C4'-P energy: -10.178 tors. eta vs tors. theta energy: -13.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -176.584110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.584110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.584110 (E_RNA) where: Base-Base interactions energy: -107.437 where: short stacking energy: -53.642 Base-Backbone interact. energy: -0.016 local terms energy: -69.131152 where: bonds (distance) C4'-P energy: -12.605 bonds (distance) P-C4' energy: -15.741 flat angles C4'-P-C4' energy: -16.401 flat angles P-C4'-P energy: -6.891 tors. eta vs tors. theta energy: -17.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -163.189846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.189846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.189846 (E_RNA) where: Base-Base interactions energy: -109.816 where: short stacking energy: -43.950 Base-Backbone interact. energy: 0.378 local terms energy: -53.751910 where: bonds (distance) C4'-P energy: -8.912 bonds (distance) P-C4' energy: -10.562 flat angles C4'-P-C4' energy: -14.764 flat angles P-C4'-P energy: -9.864 tors. eta vs tors. theta energy: -9.649 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: 7 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -153.510146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.510146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.510146 (E_RNA) where: Base-Base interactions energy: -100.690 where: short stacking energy: -49.839 Base-Backbone interact. energy: -0.048 local terms energy: -52.772596 where: bonds (distance) C4'-P energy: -14.840 bonds (distance) P-C4' energy: -12.549 flat angles C4'-P-C4' energy: -8.894 flat angles P-C4'-P energy: -5.879 tors. eta vs tors. theta energy: -10.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -80.080036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.080036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.080036 (E_RNA) where: Base-Base interactions energy: -34.167 where: short stacking energy: -32.301 Base-Backbone interact. energy: 0.380 local terms energy: -46.292680 where: bonds (distance) C4'-P energy: -12.912 bonds (distance) P-C4' energy: -12.380 flat angles C4'-P-C4' energy: -8.839 flat angles P-C4'-P energy: -10.641 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: 1 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -219.546398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.546398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.546398 (E_RNA) where: Base-Base interactions energy: -152.947 where: short stacking energy: -64.546 Base-Backbone interact. energy: -0.863 local terms energy: -65.736949 where: bonds (distance) C4'-P energy: -14.427 bonds (distance) P-C4' energy: -15.621 flat angles C4'-P-C4' energy: -14.098 flat angles P-C4'-P energy: -6.436 tors. eta vs tors. theta energy: -15.155 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: 3 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -205.517457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.517457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.517457 (E_RNA) where: Base-Base interactions energy: -144.357 where: short stacking energy: -51.926 Base-Backbone interact. energy: -0.179 local terms energy: -60.982348 where: bonds (distance) C4'-P energy: -11.803 bonds (distance) P-C4' energy: -14.500 flat angles C4'-P-C4' energy: -12.686 flat angles P-C4'-P energy: -7.832 tors. eta vs tors. theta energy: -14.162 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: 3, replica: 10 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -199.689397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.689397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.689397 (E_RNA) where: Base-Base interactions energy: -135.109 where: short stacking energy: -43.921 Base-Backbone interact. energy: -0.289 local terms energy: -64.291731 where: bonds (distance) C4'-P energy: -14.749 bonds (distance) P-C4' energy: -13.600 flat angles C4'-P-C4' energy: -15.055 flat angles P-C4'-P energy: -11.351 tors. eta vs tors. theta energy: -9.536 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: 6 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -205.259531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.259531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.259531 (E_RNA) where: Base-Base interactions energy: -140.389 where: short stacking energy: -54.096 Base-Backbone interact. energy: -0.124 local terms energy: -64.747245 where: bonds (distance) C4'-P energy: -12.167 bonds (distance) P-C4' energy: -10.322 flat angles C4'-P-C4' energy: -16.053 flat angles P-C4'-P energy: -11.358 tors. eta vs tors. theta energy: -14.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -185.637139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.637139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.637139 (E_RNA) where: Base-Base interactions energy: -129.250 where: short stacking energy: -58.843 Base-Backbone interact. energy: -0.067 local terms energy: -56.320375 where: bonds (distance) C4'-P energy: -13.483 bonds (distance) P-C4' energy: -10.703 flat angles C4'-P-C4' energy: -12.574 flat angles P-C4'-P energy: -7.875 tors. eta vs tors. theta energy: -11.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -160.342313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.342313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.342313 (E_RNA) where: Base-Base interactions energy: -106.947 where: short stacking energy: -52.306 Base-Backbone interact. energy: -0.175 local terms energy: -53.219687 where: bonds (distance) C4'-P energy: -10.079 bonds (distance) P-C4' energy: -16.432 flat angles C4'-P-C4' energy: -12.826 flat angles P-C4'-P energy: -2.768 tors. eta vs tors. theta energy: -11.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -166.099118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.099118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.099118 (E_RNA) where: Base-Base interactions energy: -111.233 where: short stacking energy: -51.140 Base-Backbone interact. energy: -0.055 local terms energy: -54.810805 where: bonds (distance) C4'-P energy: -8.685 bonds (distance) P-C4' energy: -12.421 flat angles C4'-P-C4' energy: -13.515 flat angles P-C4'-P energy: -11.746 tors. eta vs tors. theta energy: -8.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -143.194429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.194429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.194429 (E_RNA) where: Base-Base interactions energy: -95.286 where: short stacking energy: -38.397 Base-Backbone interact. energy: -0.170 local terms energy: -47.738880 where: bonds (distance) C4'-P energy: -8.647 bonds (distance) P-C4' energy: -11.914 flat angles C4'-P-C4' energy: -12.850 flat angles P-C4'-P energy: -7.893 tors. eta vs tors. theta energy: -6.435 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: 7 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -158.488669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.488669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.488669 (E_RNA) where: Base-Base interactions energy: -96.230 where: short stacking energy: -45.589 Base-Backbone interact. energy: -0.311 local terms energy: -61.947144 where: bonds (distance) C4'-P energy: -13.698 bonds (distance) P-C4' energy: -14.265 flat angles C4'-P-C4' energy: -15.204 flat angles P-C4'-P energy: -8.496 tors. eta vs tors. theta energy: -10.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -72.176222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.176222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.176222 (E_RNA) where: Base-Base interactions energy: -29.054 where: short stacking energy: -27.982 Base-Backbone interact. energy: 0.093 local terms energy: -43.215098 where: bonds (distance) C4'-P energy: -15.552 bonds (distance) P-C4' energy: -12.344 flat angles C4'-P-C4' energy: -9.489 flat angles P-C4'-P energy: -3.740 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: 1, replica: 1 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -219.992057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.992057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.992057 (E_RNA) where: Base-Base interactions energy: -152.398 where: short stacking energy: -69.506 Base-Backbone interact. energy: -0.003 local terms energy: -67.590847 where: bonds (distance) C4'-P energy: -12.229 bonds (distance) P-C4' energy: -15.593 flat angles C4'-P-C4' energy: -14.862 flat angles P-C4'-P energy: -7.408 tors. eta vs tors. theta energy: -17.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -207.106260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.106260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.106260 (E_RNA) where: Base-Base interactions energy: -146.006 where: short stacking energy: -54.759 Base-Backbone interact. energy: -0.667 local terms energy: -60.432647 where: bonds (distance) C4'-P energy: -16.274 bonds (distance) P-C4' energy: -10.505 flat angles C4'-P-C4' energy: -13.838 flat angles P-C4'-P energy: -9.064 tors. eta vs tors. theta energy: -10.751 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: 3, replica: 3 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -208.206235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.206235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.206235 (E_RNA) where: Base-Base interactions energy: -137.973 where: short stacking energy: -60.030 Base-Backbone interact. energy: -0.013 local terms energy: -70.219914 where: bonds (distance) C4'-P energy: -15.114 bonds (distance) P-C4' energy: -12.100 flat angles C4'-P-C4' energy: -15.543 flat angles P-C4'-P energy: -10.600 tors. eta vs tors. theta energy: -16.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -191.755793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.755793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.755793 (E_RNA) where: Base-Base interactions energy: -128.868 where: short stacking energy: -50.627 Base-Backbone interact. energy: -0.145 local terms energy: -62.742636 where: bonds (distance) C4'-P energy: -14.511 bonds (distance) P-C4' energy: -16.668 flat angles C4'-P-C4' energy: -9.175 flat angles P-C4'-P energy: -10.054 tors. eta vs tors. theta energy: -12.334 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: 6 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -191.534503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.534503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.534503 (E_RNA) where: Base-Base interactions energy: -133.762 where: short stacking energy: -50.747 Base-Backbone interact. energy: -0.149 local terms energy: -57.622640 where: bonds (distance) C4'-P energy: -11.574 bonds (distance) P-C4' energy: -12.587 flat angles C4'-P-C4' energy: -13.979 flat angles P-C4'-P energy: -8.885 tors. eta vs tors. theta energy: -10.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -181.563157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.563157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.563157 (E_RNA) where: Base-Base interactions energy: -114.235 where: short stacking energy: -54.823 Base-Backbone interact. energy: -0.175 local terms energy: -67.152374 where: bonds (distance) C4'-P energy: -16.223 bonds (distance) P-C4' energy: -14.496 flat angles C4'-P-C4' energy: -15.999 flat angles P-C4'-P energy: -9.118 tors. eta vs tors. theta energy: -11.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -151.688027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.688027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.688027 (E_RNA) where: Base-Base interactions energy: -98.323 where: short stacking energy: -44.279 Base-Backbone interact. energy: 0.010 local terms energy: -53.374848 where: bonds (distance) C4'-P energy: -13.797 bonds (distance) P-C4' energy: -13.455 flat angles C4'-P-C4' energy: -12.652 flat angles P-C4'-P energy: -7.220 tors. eta vs tors. theta energy: -6.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -146.445457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.445457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.445457 (E_RNA) where: Base-Base interactions energy: -90.145 where: short stacking energy: -50.809 Base-Backbone interact. energy: -0.127 local terms energy: -56.173770 where: bonds (distance) C4'-P energy: -11.963 bonds (distance) P-C4' energy: -12.981 flat angles C4'-P-C4' energy: -11.402 flat angles P-C4'-P energy: -7.671 tors. eta vs tors. theta energy: -12.156 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: 8 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -148.001744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.001744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.001744 (E_RNA) where: Base-Base interactions energy: -100.855 where: short stacking energy: -33.843 Base-Backbone interact. energy: -0.099 local terms energy: -47.047154 where: bonds (distance) C4'-P energy: -12.183 bonds (distance) P-C4' energy: -13.384 flat angles C4'-P-C4' energy: -11.196 flat angles P-C4'-P energy: -2.590 tors. eta vs tors. theta energy: -7.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -126.045416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.045416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.045416 (E_RNA) where: Base-Base interactions energy: -75.103 where: short stacking energy: -39.940 Base-Backbone interact. energy: -0.473 local terms energy: -50.469539 where: bonds (distance) C4'-P energy: -10.265 bonds (distance) P-C4' energy: -14.653 flat angles C4'-P-C4' energy: -8.749 flat angles P-C4'-P energy: -4.703 tors. eta vs tors. theta energy: -12.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -219.863624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.863624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.863624 (E_RNA) where: Base-Base interactions energy: -144.441 where: short stacking energy: -58.672 Base-Backbone interact. energy: -0.016 local terms energy: -75.407242 where: bonds (distance) C4'-P energy: -14.692 bonds (distance) P-C4' energy: -17.069 flat angles C4'-P-C4' energy: -15.508 flat angles P-C4'-P energy: -9.245 tors. eta vs tors. theta energy: -18.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -209.966376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.966376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.966376 (E_RNA) where: Base-Base interactions energy: -143.956 where: short stacking energy: -55.064 Base-Backbone interact. energy: -0.406 local terms energy: -65.604530 where: bonds (distance) C4'-P energy: -16.621 bonds (distance) P-C4' energy: -10.874 flat angles C4'-P-C4' energy: -15.159 flat angles P-C4'-P energy: -9.790 tors. eta vs tors. theta energy: -13.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -207.855346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.855346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.855346 (E_RNA) where: Base-Base interactions energy: -137.806 where: short stacking energy: -49.984 Base-Backbone interact. energy: -0.054 local terms energy: -69.995237 where: bonds (distance) C4'-P energy: -15.954 bonds (distance) P-C4' energy: -14.916 flat angles C4'-P-C4' energy: -14.805 flat angles P-C4'-P energy: -7.864 tors. eta vs tors. theta energy: -16.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -186.042986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.042986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.042986 (E_RNA) where: Base-Base interactions energy: -130.372 where: short stacking energy: -46.435 Base-Backbone interact. energy: -0.864 local terms energy: -54.807146 where: bonds (distance) C4'-P energy: -15.185 bonds (distance) P-C4' energy: -10.515 flat angles C4'-P-C4' energy: -13.234 flat angles P-C4'-P energy: -6.984 tors. eta vs tors. theta energy: -8.890 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: 5, replica: 6 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -193.163780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.163780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.163780 (E_RNA) where: Base-Base interactions energy: -133.482 where: short stacking energy: -53.367 Base-Backbone interact. energy: -0.139 local terms energy: -59.542633 where: bonds (distance) C4'-P energy: -8.669 bonds (distance) P-C4' energy: -15.748 flat angles C4'-P-C4' energy: -15.332 flat angles P-C4'-P energy: -7.896 tors. eta vs tors. theta energy: -11.897 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: 6, replica: 5 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -171.282832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.282832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.282832 (E_RNA) where: Base-Base interactions energy: -106.470 where: short stacking energy: -57.082 Base-Backbone interact. energy: 1.779 local terms energy: -66.591546 where: bonds (distance) C4'-P energy: -13.028 bonds (distance) P-C4' energy: -14.144 flat angles C4'-P-C4' energy: -15.971 flat angles P-C4'-P energy: -11.444 tors. eta vs tors. theta energy: -12.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -146.913280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.913280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.913280 (E_RNA) where: Base-Base interactions energy: -103.895 where: short stacking energy: -44.540 Base-Backbone interact. energy: 1.154 local terms energy: -44.172093 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -13.402 flat angles C4'-P-C4' energy: -12.699 flat angles P-C4'-P energy: -1.277 tors. eta vs tors. theta energy: -9.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -154.854661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.854661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.854661 (E_RNA) where: Base-Base interactions energy: -100.781 where: short stacking energy: -46.557 Base-Backbone interact. energy: -0.002 local terms energy: -54.071578 where: bonds (distance) C4'-P energy: -11.988 bonds (distance) P-C4' energy: -13.081 flat angles C4'-P-C4' energy: -14.264 flat angles P-C4'-P energy: -3.311 tors. eta vs tors. theta energy: -11.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -114.676824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.676824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.676824 (E_RNA) where: Base-Base interactions energy: -68.899 where: short stacking energy: -42.044 Base-Backbone interact. energy: 0.010 local terms energy: -45.787267 where: bonds (distance) C4'-P energy: -8.758 bonds (distance) P-C4' energy: -11.268 flat angles C4'-P-C4' energy: -14.398 flat angles P-C4'-P energy: -4.703 tors. eta vs tors. theta energy: -6.660 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: 8 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -132.071468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.071468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.071468 (E_RNA) where: Base-Base interactions energy: -73.644 where: short stacking energy: -35.450 Base-Backbone interact. energy: -0.020 local terms energy: -58.407089 where: bonds (distance) C4'-P energy: -10.746 bonds (distance) P-C4' energy: -13.089 flat angles C4'-P-C4' energy: -11.921 flat angles P-C4'-P energy: -13.110 tors. eta vs tors. theta energy: -9.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -219.954170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.954170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.954170 (E_RNA) where: Base-Base interactions energy: -149.722 where: short stacking energy: -67.569 Base-Backbone interact. energy: 0.834 local terms energy: -71.066362 where: bonds (distance) C4'-P energy: -13.757 bonds (distance) P-C4' energy: -14.560 flat angles C4'-P-C4' energy: -14.660 flat angles P-C4'-P energy: -9.345 tors. eta vs tors. theta energy: -18.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -219.662209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.662209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.662209 (E_RNA) where: Base-Base interactions energy: -153.741 where: short stacking energy: -62.395 Base-Backbone interact. energy: -0.028 local terms energy: -65.893781 where: bonds (distance) C4'-P energy: -14.080 bonds (distance) P-C4' energy: -15.508 flat angles C4'-P-C4' energy: -14.137 flat angles P-C4'-P energy: -5.869 tors. eta vs tors. theta energy: -16.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -209.850899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.850899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.850899 (E_RNA) where: Base-Base interactions energy: -135.812 where: short stacking energy: -50.949 Base-Backbone interact. energy: -0.481 local terms energy: -73.557367 where: bonds (distance) C4'-P energy: -14.219 bonds (distance) P-C4' energy: -16.939 flat angles C4'-P-C4' energy: -15.310 flat angles P-C4'-P energy: -14.251 tors. eta vs tors. theta energy: -12.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -203.362641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.362641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.362641 (E_RNA) where: Base-Base interactions energy: -141.913 where: short stacking energy: -56.474 Base-Backbone interact. energy: -0.258 local terms energy: -61.191931 where: bonds (distance) C4'-P energy: -11.741 bonds (distance) P-C4' energy: -13.475 flat angles C4'-P-C4' energy: -14.340 flat angles P-C4'-P energy: -8.516 tors. eta vs tors. theta energy: -13.120 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: 4 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -182.353686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.353686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.353686 (E_RNA) where: Base-Base interactions energy: -129.689 where: short stacking energy: -50.021 Base-Backbone interact. energy: 0.787 local terms energy: -53.450955 where: bonds (distance) C4'-P energy: -9.273 bonds (distance) P-C4' energy: -14.585 flat angles C4'-P-C4' energy: -12.372 flat angles P-C4'-P energy: -3.065 tors. eta vs tors. theta energy: -14.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -140.439550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.439550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.439550 (E_RNA) where: Base-Base interactions energy: -79.679 where: short stacking energy: -35.520 Base-Backbone interact. energy: -0.237 local terms energy: -60.523464 where: bonds (distance) C4'-P energy: -12.975 bonds (distance) P-C4' energy: -16.440 flat angles C4'-P-C4' energy: -12.152 flat angles P-C4'-P energy: -12.558 tors. eta vs tors. theta energy: -6.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -175.186955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.186955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.186955 (E_RNA) where: Base-Base interactions energy: -113.045 where: short stacking energy: -59.541 Base-Backbone interact. energy: 0.072 local terms energy: -62.214545 where: bonds (distance) C4'-P energy: -11.065 bonds (distance) P-C4' energy: -14.064 flat angles C4'-P-C4' energy: -14.566 flat angles P-C4'-P energy: -9.995 tors. eta vs tors. theta energy: -12.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -134.424435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.424435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.424435 (E_RNA) where: Base-Base interactions energy: -80.651 where: short stacking energy: -47.931 Base-Backbone interact. energy: -0.034 local terms energy: -53.739171 where: bonds (distance) C4'-P energy: -11.450 bonds (distance) P-C4' energy: -15.632 flat angles C4'-P-C4' energy: -13.795 flat angles P-C4'-P energy: -6.880 tors. eta vs tors. theta energy: -5.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -92.445100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.445100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.445100 (E_RNA) where: Base-Base interactions energy: -38.637 where: short stacking energy: -38.637 Base-Backbone interact. energy: -0.002 local terms energy: -53.806216 where: bonds (distance) C4'-P energy: -14.290 bonds (distance) P-C4' energy: -9.967 flat angles C4'-P-C4' energy: -14.101 flat angles P-C4'-P energy: -4.759 tors. eta vs tors. theta energy: -10.689 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: 8 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -124.141721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.141721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.141721 (E_RNA) where: Base-Base interactions energy: -74.902 where: short stacking energy: -31.900 Base-Backbone interact. energy: -0.090 local terms energy: -49.149265 where: bonds (distance) C4'-P energy: -12.800 bonds (distance) P-C4' energy: -10.000 flat angles C4'-P-C4' energy: -12.818 flat angles P-C4'-P energy: -10.091 tors. eta vs tors. theta energy: -3.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -224.302122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.302122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.302122 (E_RNA) where: Base-Base interactions energy: -150.766 where: short stacking energy: -68.940 Base-Backbone interact. energy: -0.003 local terms energy: -73.532481 where: bonds (distance) C4'-P energy: -15.130 bonds (distance) P-C4' energy: -15.818 flat angles C4'-P-C4' energy: -16.064 flat angles P-C4'-P energy: -7.095 tors. eta vs tors. theta energy: -19.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -215.930154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.930154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.930154 (E_RNA) where: Base-Base interactions energy: -145.330 where: short stacking energy: -62.980 Base-Backbone interact. energy: 1.219 local terms energy: -71.819734 where: bonds (distance) C4'-P energy: -16.427 bonds (distance) P-C4' energy: -13.261 flat angles C4'-P-C4' energy: -14.620 flat angles P-C4'-P energy: -6.855 tors. eta vs tors. theta energy: -20.656 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: 3, replica: 10 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -205.891433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.891433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.891433 (E_RNA) where: Base-Base interactions energy: -142.974 where: short stacking energy: -56.163 Base-Backbone interact. energy: -0.614 local terms energy: -62.302637 where: bonds (distance) C4'-P energy: -12.557 bonds (distance) P-C4' energy: -14.380 flat angles C4'-P-C4' energy: -11.002 flat angles P-C4'-P energy: -8.149 tors. eta vs tors. theta energy: -16.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -203.870863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.870863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.870863 (E_RNA) where: Base-Base interactions energy: -135.062 where: short stacking energy: -60.783 Base-Backbone interact. energy: -0.105 local terms energy: -68.703648 where: bonds (distance) C4'-P energy: -16.419 bonds (distance) P-C4' energy: -14.245 flat angles C4'-P-C4' energy: -11.948 flat angles P-C4'-P energy: -9.604 tors. eta vs tors. theta energy: -16.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -176.601990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.601990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.601990 (E_RNA) where: Base-Base interactions energy: -111.733 where: short stacking energy: -50.456 Base-Backbone interact. energy: 0.526 local terms energy: -65.395472 where: bonds (distance) C4'-P energy: -10.760 bonds (distance) P-C4' energy: -17.992 flat angles C4'-P-C4' energy: -13.988 flat angles P-C4'-P energy: -10.432 tors. eta vs tors. theta energy: -12.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -153.217697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.217697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.217697 (E_RNA) where: Base-Base interactions energy: -106.110 where: short stacking energy: -49.685 Base-Backbone interact. energy: -0.006 local terms energy: -47.101062 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -14.564 flat angles C4'-P-C4' energy: -9.234 flat angles P-C4'-P energy: -2.211 tors. eta vs tors. theta energy: -14.970 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: 9 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -145.815593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.815593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.815593 (E_RNA) where: Base-Base interactions energy: -87.992 where: short stacking energy: -45.954 Base-Backbone interact. energy: -0.016 local terms energy: -57.807760 where: bonds (distance) C4'-P energy: -13.426 bonds (distance) P-C4' energy: -12.770 flat angles C4'-P-C4' energy: -15.062 flat angles P-C4'-P energy: -7.263 tors. eta vs tors. theta energy: -9.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -157.789300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.789300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.789300 (E_RNA) where: Base-Base interactions energy: -99.093 where: short stacking energy: -47.542 Base-Backbone interact. energy: -0.014 local terms energy: -58.682407 where: bonds (distance) C4'-P energy: -13.578 bonds (distance) P-C4' energy: -11.935 flat angles C4'-P-C4' energy: -12.530 flat angles P-C4'-P energy: -8.850 tors. eta vs tors. theta energy: -11.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -105.899312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.899312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.899312 (E_RNA) where: Base-Base interactions energy: -50.219 where: short stacking energy: -38.218 Base-Backbone interact. energy: -0.130 local terms energy: -55.550311 where: bonds (distance) C4'-P energy: -9.005 bonds (distance) P-C4' energy: -11.753 flat angles C4'-P-C4' energy: -14.729 flat angles P-C4'-P energy: -13.304 tors. eta vs tors. theta energy: -6.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -80.381129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.381129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.381129 (E_RNA) where: Base-Base interactions energy: -34.957 where: short stacking energy: -33.898 Base-Backbone interact. energy: -0.004 local terms energy: -45.420777 where: bonds (distance) C4'-P energy: -6.822 bonds (distance) P-C4' energy: -10.284 flat angles C4'-P-C4' energy: -12.889 flat angles P-C4'-P energy: -8.418 tors. eta vs tors. theta energy: -7.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -224.693363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -224.693363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -224.693363 (E_RNA) where: Base-Base interactions energy: -154.892 where: short stacking energy: -66.328 Base-Backbone interact. energy: -1.035 local terms energy: -68.765924 where: bonds (distance) C4'-P energy: -12.677 bonds (distance) P-C4' energy: -15.395 flat angles C4'-P-C4' energy: -13.364 flat angles P-C4'-P energy: -10.147 tors. eta vs tors. theta energy: -17.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -204.267779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.267779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.267779 (E_RNA) where: Base-Base interactions energy: -134.889 where: short stacking energy: -56.691 Base-Backbone interact. energy: -0.521 local terms energy: -68.857601 where: bonds (distance) C4'-P energy: -16.207 bonds (distance) P-C4' energy: -14.449 flat angles C4'-P-C4' energy: -12.957 flat angles P-C4'-P energy: -9.549 tors. eta vs tors. theta energy: -15.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -194.082057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.082057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.082057 (E_RNA) where: Base-Base interactions energy: -130.903 where: short stacking energy: -49.796 Base-Backbone interact. energy: -0.117 local terms energy: -63.062797 where: bonds (distance) C4'-P energy: -15.553 bonds (distance) P-C4' energy: -14.916 flat angles C4'-P-C4' energy: -8.112 flat angles P-C4'-P energy: -12.609 tors. eta vs tors. theta energy: -11.873 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: 6 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -197.873964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.873964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.873964 (E_RNA) where: Base-Base interactions energy: -133.365 where: short stacking energy: -49.715 Base-Backbone interact. energy: -0.073 local terms energy: -64.435631 where: bonds (distance) C4'-P energy: -15.917 bonds (distance) P-C4' energy: -14.131 flat angles C4'-P-C4' energy: -14.178 flat angles P-C4'-P energy: -11.136 tors. eta vs tors. theta energy: -9.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -168.986101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.986101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.986101 (E_RNA) where: Base-Base interactions energy: -109.746 where: short stacking energy: -42.488 Base-Backbone interact. energy: -0.438 local terms energy: -58.802084 where: bonds (distance) C4'-P energy: -14.407 bonds (distance) P-C4' energy: -14.974 flat angles C4'-P-C4' energy: -12.963 flat angles P-C4'-P energy: -10.271 tors. eta vs tors. theta energy: -6.188 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: 9 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -169.973463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.973463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.973463 (E_RNA) where: Base-Base interactions energy: -108.874 where: short stacking energy: -52.136 Base-Backbone interact. energy: -0.601 local terms energy: -60.498790 where: bonds (distance) C4'-P energy: -9.855 bonds (distance) P-C4' energy: -13.891 flat angles C4'-P-C4' energy: -17.262 flat angles P-C4'-P energy: -8.729 tors. eta vs tors. theta energy: -10.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -145.763613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.763613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.763613 (E_RNA) where: Base-Base interactions energy: -88.939 where: short stacking energy: -41.185 Base-Backbone interact. energy: -0.102 local terms energy: -56.722961 where: bonds (distance) C4'-P energy: -9.964 bonds (distance) P-C4' energy: -14.568 flat angles C4'-P-C4' energy: -13.135 flat angles P-C4'-P energy: -10.474 tors. eta vs tors. theta energy: -8.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -92.401748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.401748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.401748 (E_RNA) where: Base-Base interactions energy: -50.088 where: short stacking energy: -33.472 Base-Backbone interact. energy: -0.146 local terms energy: -42.167771 where: bonds (distance) C4'-P energy: -9.798 bonds (distance) P-C4' energy: -14.867 flat angles C4'-P-C4' energy: -12.044 flat angles P-C4'-P energy: -6.968 tors. eta vs tors. theta energy: 1.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -155.469016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.469016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.469016 (E_RNA) where: Base-Base interactions energy: -91.381 where: short stacking energy: -43.128 Base-Backbone interact. energy: -0.280 local terms energy: -63.807647 where: bonds (distance) C4'-P energy: -13.955 bonds (distance) P-C4' energy: -16.633 flat angles C4'-P-C4' energy: -11.926 flat angles P-C4'-P energy: -11.377 tors. eta vs tors. theta energy: -9.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -79.288553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.288553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.288553 (E_RNA) where: Base-Base interactions energy: -36.991 where: short stacking energy: -27.025 Base-Backbone interact. energy: -0.204 local terms energy: -42.093830 where: bonds (distance) C4'-P energy: -11.120 bonds (distance) P-C4' energy: -7.763 flat angles C4'-P-C4' energy: -10.841 flat angles P-C4'-P energy: -7.728 tors. eta vs tors. theta energy: -4.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -225.129058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.129058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.129058 (E_RNA) where: Base-Base interactions energy: -156.065 where: short stacking energy: -64.624 Base-Backbone interact. energy: -0.016 local terms energy: -69.047459 where: bonds (distance) C4'-P energy: -15.354 bonds (distance) P-C4' energy: -15.270 flat angles C4'-P-C4' energy: -12.789 flat angles P-C4'-P energy: -7.716 tors. eta vs tors. theta energy: -17.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -211.447496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.447496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.447496 (E_RNA) where: Base-Base interactions energy: -140.031 where: short stacking energy: -65.988 Base-Backbone interact. energy: -0.002 local terms energy: -71.414820 where: bonds (distance) C4'-P energy: -14.634 bonds (distance) P-C4' energy: -15.079 flat angles C4'-P-C4' energy: -14.876 flat angles P-C4'-P energy: -9.592 tors. eta vs tors. theta energy: -17.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -193.301791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.301791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.301791 (E_RNA) where: Base-Base interactions energy: -128.791 where: short stacking energy: -47.918 Base-Backbone interact. energy: 1.060 local terms energy: -65.570982 where: bonds (distance) C4'-P energy: -13.929 bonds (distance) P-C4' energy: -15.437 flat angles C4'-P-C4' energy: -13.416 flat angles P-C4'-P energy: -11.116 tors. eta vs tors. theta energy: -11.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -185.164681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.164681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.164681 (E_RNA) where: Base-Base interactions energy: -123.052 where: short stacking energy: -55.302 Base-Backbone interact. energy: 0.100 local terms energy: -62.212452 where: bonds (distance) C4'-P energy: -9.649 bonds (distance) P-C4' energy: -15.284 flat angles C4'-P-C4' energy: -11.932 flat angles P-C4'-P energy: -11.258 tors. eta vs tors. theta energy: -14.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -170.179295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.179295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.179295 (E_RNA) where: Base-Base interactions energy: -107.717 where: short stacking energy: -46.752 Base-Backbone interact. energy: -0.211 local terms energy: -62.251278 where: bonds (distance) C4'-P energy: -15.855 bonds (distance) P-C4' energy: -14.709 flat angles C4'-P-C4' energy: -12.839 flat angles P-C4'-P energy: -3.909 tors. eta vs tors. theta energy: -14.939 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: 4 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -175.173827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.173827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.173827 (E_RNA) where: Base-Base interactions energy: -112.205 where: short stacking energy: -50.707 Base-Backbone interact. energy: -0.292 local terms energy: -62.676193 where: bonds (distance) C4'-P energy: -14.009 bonds (distance) P-C4' energy: -14.359 flat angles C4'-P-C4' energy: -15.896 flat angles P-C4'-P energy: -3.406 tors. eta vs tors. theta energy: -15.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -172.504363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.504363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.504363 (E_RNA) where: Base-Base interactions energy: -110.445 where: short stacking energy: -53.714 Base-Backbone interact. energy: -0.003 local terms energy: -62.056362 where: bonds (distance) C4'-P energy: -13.264 bonds (distance) P-C4' energy: -9.980 flat angles C4'-P-C4' energy: -15.929 flat angles P-C4'-P energy: -5.808 tors. eta vs tors. theta energy: -17.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -91.750934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.750934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.750934 (E_RNA) where: Base-Base interactions energy: -40.928 where: short stacking energy: -40.928 Base-Backbone interact. energy: -0.115 local terms energy: -50.708115 where: bonds (distance) C4'-P energy: -11.102 bonds (distance) P-C4' energy: -11.866 flat angles C4'-P-C4' energy: -13.442 flat angles P-C4'-P energy: -7.012 tors. eta vs tors. theta energy: -7.286 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: 494 Temperature: 1.300000 Total energy: -151.049502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.049502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.049502 (E_RNA) where: Base-Base interactions energy: -97.769 where: short stacking energy: -37.600 Base-Backbone interact. energy: -0.451 local terms energy: -52.830220 where: bonds (distance) C4'-P energy: -10.714 bonds (distance) P-C4' energy: -12.566 flat angles C4'-P-C4' energy: -12.820 flat angles P-C4'-P energy: -7.013 tors. eta vs tors. theta energy: -9.718 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: 2 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -101.416231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.416231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.416231 (E_RNA) where: Base-Base interactions energy: -57.048 where: short stacking energy: -28.349 Base-Backbone interact. energy: -0.029 local terms energy: -44.339125 where: bonds (distance) C4'-P energy: -9.002 bonds (distance) P-C4' energy: -13.996 flat angles C4'-P-C4' energy: -8.551 flat angles P-C4'-P energy: -5.303 tors. eta vs tors. theta energy: -7.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -225.010194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -225.010194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -225.010194 (E_RNA) where: Base-Base interactions energy: -157.123 where: short stacking energy: -64.198 Base-Backbone interact. energy: -0.158 local terms energy: -67.729822 where: bonds (distance) C4'-P energy: -13.364 bonds (distance) P-C4' energy: -16.964 flat angles C4'-P-C4' energy: -13.592 flat angles P-C4'-P energy: -7.426 tors. eta vs tors. theta energy: -16.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -204.643956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.643956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.643956 (E_RNA) where: Base-Base interactions energy: -130.962 where: short stacking energy: -55.872 Base-Backbone interact. energy: -0.180 local terms energy: -73.501801 where: bonds (distance) C4'-P energy: -13.400 bonds (distance) P-C4' energy: -17.605 flat angles C4'-P-C4' energy: -16.442 flat angles P-C4'-P energy: -11.033 tors. eta vs tors. theta energy: -15.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -206.544547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.544547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.544547 (E_RNA) where: Base-Base interactions energy: -135.490 where: short stacking energy: -60.361 Base-Backbone interact. energy: -0.006 local terms energy: -71.048679 where: bonds (distance) C4'-P energy: -15.507 bonds (distance) P-C4' energy: -13.561 flat angles C4'-P-C4' energy: -15.783 flat angles P-C4'-P energy: -7.779 tors. eta vs tors. theta energy: -18.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -185.009692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.009692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.009692 (E_RNA) where: Base-Base interactions energy: -125.687 where: short stacking energy: -65.041 Base-Backbone interact. energy: -0.018 local terms energy: -59.304510 where: bonds (distance) C4'-P energy: -9.670 bonds (distance) P-C4' energy: -10.270 flat angles C4'-P-C4' energy: -13.362 flat angles P-C4'-P energy: -10.725 tors. eta vs tors. theta energy: -15.277 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: 495 Temperature: 1.100000 Total energy: -200.179412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.179412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.179412 (E_RNA) where: Base-Base interactions energy: -134.438 where: short stacking energy: -57.519 Base-Backbone interact. energy: -0.379 local terms energy: -65.362681 where: bonds (distance) C4'-P energy: -12.510 bonds (distance) P-C4' energy: -12.984 flat angles C4'-P-C4' energy: -14.600 flat angles P-C4'-P energy: -9.658 tors. eta vs tors. theta energy: -15.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -187.223469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.223469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.223469 (E_RNA) where: Base-Base interactions energy: -118.946 where: short stacking energy: -47.426 Base-Backbone interact. energy: -1.165 local terms energy: -67.112364 where: bonds (distance) C4'-P energy: -13.036 bonds (distance) P-C4' energy: -11.328 flat angles C4'-P-C4' energy: -13.902 flat angles P-C4'-P energy: -13.044 tors. eta vs tors. theta energy: -15.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -156.856253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.856253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.856253 (E_RNA) where: Base-Base interactions energy: -98.375 where: short stacking energy: -57.692 Base-Backbone interact. energy: 0.409 local terms energy: -58.890133 where: bonds (distance) C4'-P energy: -10.631 bonds (distance) P-C4' energy: -11.951 flat angles C4'-P-C4' energy: -13.981 flat angles P-C4'-P energy: -10.325 tors. eta vs tors. theta energy: -12.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -150.840736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.840736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.840736 (E_RNA) where: Base-Base interactions energy: -94.667 where: short stacking energy: -39.613 Base-Backbone interact. energy: -0.272 local terms energy: -55.901555 where: bonds (distance) C4'-P energy: -12.284 bonds (distance) P-C4' energy: -17.746 flat angles C4'-P-C4' energy: -11.209 flat angles P-C4'-P energy: -10.218 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: 9, replica: 8 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -79.939744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.939744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.939744 (E_RNA) where: Base-Base interactions energy: -32.970 where: short stacking energy: -32.883 Base-Backbone interact. energy: -0.094 local terms energy: -46.875685 where: bonds (distance) C4'-P energy: -12.600 bonds (distance) P-C4' energy: -13.216 flat angles C4'-P-C4' energy: -5.655 flat angles P-C4'-P energy: -8.992 tors. eta vs tors. theta energy: -6.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -78.232135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.232135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.232135 (E_RNA) where: Base-Base interactions energy: -35.080 where: short stacking energy: -32.932 Base-Backbone interact. energy: -0.155 local terms energy: -42.997530 where: bonds (distance) C4'-P energy: -11.359 bonds (distance) P-C4' energy: -6.903 flat angles C4'-P-C4' energy: -10.498 flat angles P-C4'-P energy: -4.924 tors. eta vs tors. theta energy: -9.314 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: 10 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -205.048521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.048521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.048521 (E_RNA) where: Base-Base interactions energy: -133.326 where: short stacking energy: -57.140 Base-Backbone interact. energy: -0.193 local terms energy: -71.530302 where: bonds (distance) C4'-P energy: -11.057 bonds (distance) P-C4' energy: -17.084 flat angles C4'-P-C4' energy: -14.275 flat angles P-C4'-P energy: -11.644 tors. eta vs tors. theta energy: -17.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -211.086643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.086643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.086643 (E_RNA) where: Base-Base interactions energy: -144.619 where: short stacking energy: -61.414 Base-Backbone interact. energy: -0.806 local terms energy: -65.661047 where: bonds (distance) C4'-P energy: -14.626 bonds (distance) P-C4' energy: -16.146 flat angles C4'-P-C4' energy: -13.923 flat angles P-C4'-P energy: -7.304 tors. eta vs tors. theta energy: -13.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -189.546578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.546578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.546578 (E_RNA) where: Base-Base interactions energy: -118.032 where: short stacking energy: -62.882 Base-Backbone interact. energy: -0.002 local terms energy: -71.512203 where: bonds (distance) C4'-P energy: -17.155 bonds (distance) P-C4' energy: -13.968 flat angles C4'-P-C4' energy: -14.675 flat angles P-C4'-P energy: -8.948 tors. eta vs tors. theta energy: -16.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -197.530238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.530238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.530238 (E_RNA) where: Base-Base interactions energy: -133.082 where: short stacking energy: -64.690 Base-Backbone interact. energy: -0.253 local terms energy: -64.195204 where: bonds (distance) C4'-P energy: -16.223 bonds (distance) P-C4' energy: -8.471 flat angles C4'-P-C4' energy: -13.356 flat angles P-C4'-P energy: -6.947 tors. eta vs tors. theta energy: -19.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -187.843553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.843553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.843553 (E_RNA) where: Base-Base interactions energy: -122.435 where: short stacking energy: -55.612 Base-Backbone interact. energy: -0.190 local terms energy: -65.217965 where: bonds (distance) C4'-P energy: -13.884 bonds (distance) P-C4' energy: -15.701 flat angles C4'-P-C4' energy: -13.728 flat angles P-C4'-P energy: -10.920 tors. eta vs tors. theta energy: -10.985 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: 4 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -187.706687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.706687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.706687 (E_RNA) where: Base-Base interactions energy: -124.101 where: short stacking energy: -56.488 Base-Backbone interact. energy: -0.005 local terms energy: -63.600408 where: bonds (distance) C4'-P energy: -10.768 bonds (distance) P-C4' energy: -12.860 flat angles C4'-P-C4' energy: -15.421 flat angles P-C4'-P energy: -10.111 tors. eta vs tors. theta energy: -14.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -161.746275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.746275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.746275 (E_RNA) where: Base-Base interactions energy: -111.133 where: short stacking energy: -49.626 Base-Backbone interact. energy: -0.508 local terms energy: -50.105191 where: bonds (distance) C4'-P energy: -8.979 bonds (distance) P-C4' energy: -9.419 flat angles C4'-P-C4' energy: -8.594 flat angles P-C4'-P energy: -10.450 tors. eta vs tors. theta energy: -12.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -149.096801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.096801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.096801 (E_RNA) where: Base-Base interactions energy: -96.324 where: short stacking energy: -37.709 Base-Backbone interact. energy: 1.257 local terms energy: -54.029765 where: bonds (distance) C4'-P energy: -10.304 bonds (distance) P-C4' energy: -13.068 flat angles C4'-P-C4' energy: -15.214 flat angles P-C4'-P energy: -9.326 tors. eta vs tors. theta energy: -6.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -84.756490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.756490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.756490 (E_RNA) where: Base-Base interactions energy: -33.364 where: short stacking energy: -30.527 Base-Backbone interact. energy: -0.293 local terms energy: -51.099200 where: bonds (distance) C4'-P energy: -14.104 bonds (distance) P-C4' energy: -12.857 flat angles C4'-P-C4' energy: -10.312 flat angles P-C4'-P energy: -10.231 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: 10, replica: 8 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -74.661812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.661812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.661812 (E_RNA) where: Base-Base interactions energy: -27.722 where: short stacking energy: -23.315 Base-Backbone interact. energy: -0.172 local terms energy: -46.768416 where: bonds (distance) C4'-P energy: -10.834 bonds (distance) P-C4' energy: -14.680 flat angles C4'-P-C4' energy: -15.528 flat angles P-C4'-P energy: -5.028 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: 1, replica: 10 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -209.496695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.496695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.496695 (E_RNA) where: Base-Base interactions energy: -138.633 where: short stacking energy: -58.430 Base-Backbone interact. energy: -0.105 local terms energy: -70.759285 where: bonds (distance) C4'-P energy: -17.556 bonds (distance) P-C4' energy: -15.054 flat angles C4'-P-C4' energy: -15.300 flat angles P-C4'-P energy: -5.824 tors. eta vs tors. theta energy: -17.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -221.361803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.361803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.361803 (E_RNA) where: Base-Base interactions energy: -153.545 where: short stacking energy: -68.007 Base-Backbone interact. energy: -0.569 local terms energy: -67.247071 where: bonds (distance) C4'-P energy: -16.856 bonds (distance) P-C4' energy: -11.846 flat angles C4'-P-C4' energy: -12.798 flat angles P-C4'-P energy: -5.108 tors. eta vs tors. theta energy: -20.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -187.701778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.701778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.701778 (E_RNA) where: Base-Base interactions energy: -116.923 where: short stacking energy: -58.454 Base-Backbone interact. energy: -0.286 local terms energy: -70.491977 where: bonds (distance) C4'-P energy: -14.030 bonds (distance) P-C4' energy: -17.355 flat angles C4'-P-C4' energy: -13.387 flat angles P-C4'-P energy: -9.881 tors. eta vs tors. theta energy: -15.839 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: 1 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -196.913135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.913135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.913135 (E_RNA) where: Base-Base interactions energy: -130.601 where: short stacking energy: -54.045 Base-Backbone interact. energy: -0.001 local terms energy: -66.311331 where: bonds (distance) C4'-P energy: -15.681 bonds (distance) P-C4' energy: -15.026 flat angles C4'-P-C4' energy: -12.583 flat angles P-C4'-P energy: -7.390 tors. eta vs tors. theta energy: -15.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -185.188388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.188388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.188388 (E_RNA) where: Base-Base interactions energy: -124.691 where: short stacking energy: -51.960 Base-Backbone interact. energy: -0.022 local terms energy: -60.475904 where: bonds (distance) C4'-P energy: -13.028 bonds (distance) P-C4' energy: -10.932 flat angles C4'-P-C4' energy: -11.691 flat angles P-C4'-P energy: -10.283 tors. eta vs tors. theta energy: -14.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -175.668173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.668173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.668173 (E_RNA) where: Base-Base interactions energy: -109.478 where: short stacking energy: -57.539 Base-Backbone interact. energy: -0.022 local terms energy: -66.168311 where: bonds (distance) C4'-P energy: -12.573 bonds (distance) P-C4' energy: -12.054 flat angles C4'-P-C4' energy: -17.188 flat angles P-C4'-P energy: -7.715 tors. eta vs tors. theta energy: -16.638 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: 4 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -186.455515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.455515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.455515 (E_RNA) where: Base-Base interactions energy: -125.645 where: short stacking energy: -46.447 Base-Backbone interact. energy: -0.328 local terms energy: -60.482374 where: bonds (distance) C4'-P energy: -11.790 bonds (distance) P-C4' energy: -15.793 flat angles C4'-P-C4' energy: -14.256 flat angles P-C4'-P energy: -6.638 tors. eta vs tors. theta energy: -12.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -168.695273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.695273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.695273 (E_RNA) where: Base-Base interactions energy: -112.107 where: short stacking energy: -41.346 Base-Backbone interact. energy: -0.279 local terms energy: -56.309542 where: bonds (distance) C4'-P energy: -12.241 bonds (distance) P-C4' energy: -15.075 flat angles C4'-P-C4' energy: -14.426 flat angles P-C4'-P energy: -8.244 tors. eta vs tors. theta energy: -6.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -88.896956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.896956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.896956 (E_RNA) where: Base-Base interactions energy: -46.046 where: short stacking energy: -26.304 Base-Backbone interact. energy: -0.075 local terms energy: -42.776127 where: bonds (distance) C4'-P energy: -12.345 bonds (distance) P-C4' energy: -11.248 flat angles C4'-P-C4' energy: -13.416 flat angles P-C4'-P energy: -5.768 tors. eta vs tors. theta energy: 0.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -76.921208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.921208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.921208 (E_RNA) where: Base-Base interactions energy: -39.240 where: short stacking energy: -32.174 Base-Backbone interact. energy: 2.059 local terms energy: -39.740686 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -9.602 flat angles C4'-P-C4' energy: -8.976 flat angles P-C4'-P energy: -8.053 tors. eta vs tors. theta energy: -5.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -217.423835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.423835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.423835 (E_RNA) where: Base-Base interactions energy: -150.162 where: short stacking energy: -62.157 Base-Backbone interact. energy: -0.058 local terms energy: -67.203424 where: bonds (distance) C4'-P energy: -13.810 bonds (distance) P-C4' energy: -14.260 flat angles C4'-P-C4' energy: -15.853 flat angles P-C4'-P energy: -5.644 tors. eta vs tors. theta energy: -17.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -207.314592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.314592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.314592 (E_RNA) where: Base-Base interactions energy: -137.081 where: short stacking energy: -61.629 Base-Backbone interact. energy: 0.022 local terms energy: -70.255575 where: bonds (distance) C4'-P energy: -11.312 bonds (distance) P-C4' energy: -14.525 flat angles C4'-P-C4' energy: -16.265 flat angles P-C4'-P energy: -11.517 tors. eta vs tors. theta energy: -16.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -211.200307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.200307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.200307 (E_RNA) where: Base-Base interactions energy: -136.895 where: short stacking energy: -53.427 Base-Backbone interact. energy: -0.311 local terms energy: -73.994504 where: bonds (distance) C4'-P energy: -13.111 bonds (distance) P-C4' energy: -17.581 flat angles C4'-P-C4' energy: -15.732 flat angles P-C4'-P energy: -10.932 tors. eta vs tors. theta energy: -16.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -185.623815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.623815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.623815 (E_RNA) where: Base-Base interactions energy: -123.539 where: short stacking energy: -68.248 Base-Backbone interact. energy: -0.042 local terms energy: -62.043057 where: bonds (distance) C4'-P energy: -11.012 bonds (distance) P-C4' energy: -16.774 flat angles C4'-P-C4' energy: -9.190 flat angles P-C4'-P energy: -8.122 tors. eta vs tors. theta energy: -16.945 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: 5, replica: 5 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -191.946730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.946730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.946730 (E_RNA) where: Base-Base interactions energy: -122.412 where: short stacking energy: -58.168 Base-Backbone interact. energy: -0.097 local terms energy: -69.437234 where: bonds (distance) C4'-P energy: -13.516 bonds (distance) P-C4' energy: -15.193 flat angles C4'-P-C4' energy: -15.644 flat angles P-C4'-P energy: -9.627 tors. eta vs tors. theta energy: -15.458 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: 6, replica: 6 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -179.853404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.853404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.853404 (E_RNA) where: Base-Base interactions energy: -117.559 where: short stacking energy: -51.911 Base-Backbone interact. energy: -0.011 local terms energy: -62.282612 where: bonds (distance) C4'-P energy: -12.241 bonds (distance) P-C4' energy: -17.767 flat angles C4'-P-C4' energy: -11.576 flat angles P-C4'-P energy: -7.730 tors. eta vs tors. theta energy: -12.968 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: 4 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -178.709245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.709245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.709245 (E_RNA) where: Base-Base interactions energy: -107.543 where: short stacking energy: -57.726 Base-Backbone interact. energy: 0.003 local terms energy: -71.168506 where: bonds (distance) C4'-P energy: -13.836 bonds (distance) P-C4' energy: -13.889 flat angles C4'-P-C4' energy: -13.596 flat angles P-C4'-P energy: -9.726 tors. eta vs tors. theta energy: -20.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -166.151945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.151945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.151945 (E_RNA) where: Base-Base interactions energy: -112.429 where: short stacking energy: -42.855 Base-Backbone interact. energy: -0.314 local terms energy: -53.408845 where: bonds (distance) C4'-P energy: -9.421 bonds (distance) P-C4' energy: -16.710 flat angles C4'-P-C4' energy: -11.343 flat angles P-C4'-P energy: -7.916 tors. eta vs tors. theta energy: -8.019 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: 8 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -88.059882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.059882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.059882 (E_RNA) where: Base-Base interactions energy: -40.904 where: short stacking energy: -36.529 Base-Backbone interact. energy: -0.089 local terms energy: -47.066780 where: bonds (distance) C4'-P energy: -14.061 bonds (distance) P-C4' energy: -13.370 flat angles C4'-P-C4' energy: -10.111 flat angles P-C4'-P energy: -4.959 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: 10, replica: 2 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -80.445765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.445765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.445765 (E_RNA) where: Base-Base interactions energy: -37.524 where: short stacking energy: -24.149 Base-Backbone interact. energy: -0.943 local terms energy: -41.979222 where: bonds (distance) C4'-P energy: -10.684 bonds (distance) P-C4' energy: -13.016 flat angles C4'-P-C4' energy: -13.701 flat angles P-C4'-P energy: -3.941 tors. eta vs tors. theta energy: -0.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -221.231841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.231841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.231841 (E_RNA) where: Base-Base interactions energy: -148.879 where: short stacking energy: -61.561 Base-Backbone interact. energy: -0.444 local terms energy: -71.909129 where: bonds (distance) C4'-P energy: -14.270 bonds (distance) P-C4' energy: -17.764 flat angles C4'-P-C4' energy: -14.056 flat angles P-C4'-P energy: -7.373 tors. eta vs tors. theta energy: -18.446 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: 1 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -208.863057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.863057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.863057 (E_RNA) where: Base-Base interactions energy: -144.929 where: short stacking energy: -62.872 Base-Backbone interact. energy: -0.187 local terms energy: -63.747022 where: bonds (distance) C4'-P energy: -9.041 bonds (distance) P-C4' energy: -13.802 flat angles C4'-P-C4' energy: -15.024 flat angles P-C4'-P energy: -7.699 tors. eta vs tors. theta energy: -18.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -193.137461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.137461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.137461 (E_RNA) where: Base-Base interactions energy: -131.106 where: short stacking energy: -56.578 Base-Backbone interact. energy: -0.120 local terms energy: -61.911507 where: bonds (distance) C4'-P energy: -15.856 bonds (distance) P-C4' energy: -8.872 flat angles C4'-P-C4' energy: -14.018 flat angles P-C4'-P energy: -11.332 tors. eta vs tors. theta energy: -11.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -181.655916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.655916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.655916 (E_RNA) where: Base-Base interactions energy: -113.175 where: short stacking energy: -51.537 Base-Backbone interact. energy: -0.045 local terms energy: -68.436645 where: bonds (distance) C4'-P energy: -14.419 bonds (distance) P-C4' energy: -17.821 flat angles C4'-P-C4' energy: -13.625 flat angles P-C4'-P energy: -10.130 tors. eta vs tors. theta energy: -12.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -171.894600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.894600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.894600 (E_RNA) where: Base-Base interactions energy: -120.314 where: short stacking energy: -46.073 Base-Backbone interact. energy: 0.118 local terms energy: -51.698370 where: bonds (distance) C4'-P energy: -10.366 bonds (distance) P-C4' energy: -13.708 flat angles C4'-P-C4' energy: -14.396 flat angles P-C4'-P energy: -6.168 tors. eta vs tors. theta energy: -7.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -167.905021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.905021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.905021 (E_RNA) where: Base-Base interactions energy: -100.627 where: short stacking energy: -48.931 Base-Backbone interact. energy: -0.074 local terms energy: -67.203532 where: bonds (distance) C4'-P energy: -15.603 bonds (distance) P-C4' energy: -15.353 flat angles C4'-P-C4' energy: -16.529 flat angles P-C4'-P energy: -9.598 tors. eta vs tors. theta energy: -10.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -180.989718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.989718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.989718 (E_RNA) where: Base-Base interactions energy: -124.195 where: short stacking energy: -50.298 Base-Backbone interact. energy: -0.032 local terms energy: -56.762284 where: bonds (distance) C4'-P energy: -12.204 bonds (distance) P-C4' energy: -12.148 flat angles C4'-P-C4' energy: -12.656 flat angles P-C4'-P energy: -3.617 tors. eta vs tors. theta energy: -16.137 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: 7 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -160.576625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.576625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.576625 (E_RNA) where: Base-Base interactions energy: -101.152 where: short stacking energy: -44.591 Base-Backbone interact. energy: 0.429 local terms energy: -59.852825 where: bonds (distance) C4'-P energy: -10.018 bonds (distance) P-C4' energy: -15.094 flat angles C4'-P-C4' energy: -14.671 flat angles P-C4'-P energy: -9.819 tors. eta vs tors. theta energy: -10.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -104.962517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.962517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.962517 (E_RNA) where: Base-Base interactions energy: -48.200 where: short stacking energy: -37.957 Base-Backbone interact. energy: -0.318 local terms energy: -56.443995 where: bonds (distance) C4'-P energy: -16.011 bonds (distance) P-C4' energy: -10.874 flat angles C4'-P-C4' energy: -13.073 flat angles P-C4'-P energy: -8.892 tors. eta vs tors. theta energy: -7.594 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: 10, replica: 2 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -77.576445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.576445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.576445 (E_RNA) where: Base-Base interactions energy: -31.579 where: short stacking energy: -17.553 Base-Backbone interact. energy: -0.469 local terms energy: -45.527878 where: bonds (distance) C4'-P energy: -14.608 bonds (distance) P-C4' energy: -14.227 flat angles C4'-P-C4' energy: -6.718 flat angles P-C4'-P energy: -10.149 tors. eta vs tors. theta energy: 0.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -214.524154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.524154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.524154 (E_RNA) where: Base-Base interactions energy: -147.673 where: short stacking energy: -65.883 Base-Backbone interact. energy: -0.008 local terms energy: -66.843606 where: bonds (distance) C4'-P energy: -15.719 bonds (distance) P-C4' energy: -15.870 flat angles C4'-P-C4' energy: -11.826 flat angles P-C4'-P energy: -4.622 tors. eta vs tors. theta energy: -18.808 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: 2, replica: 3 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -220.387088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -220.387088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -220.387088 (E_RNA) where: Base-Base interactions energy: -150.660 where: short stacking energy: -56.807 Base-Backbone interact. energy: -0.473 local terms energy: -69.254433 where: bonds (distance) C4'-P energy: -13.015 bonds (distance) P-C4' energy: -17.298 flat angles C4'-P-C4' energy: -13.959 flat angles P-C4'-P energy: -7.623 tors. eta vs tors. theta energy: -17.359 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: 3, replica: 9 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -194.357608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.357608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.357608 (E_RNA) where: Base-Base interactions energy: -127.257 where: short stacking energy: -63.979 Base-Backbone interact. energy: -0.005 local terms energy: -67.095566 where: bonds (distance) C4'-P energy: -16.220 bonds (distance) P-C4' energy: -15.796 flat angles C4'-P-C4' energy: -12.259 flat angles P-C4'-P energy: -6.713 tors. eta vs tors. theta energy: -16.108 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: 10 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -192.637638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.637638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.637638 (E_RNA) where: Base-Base interactions energy: -127.072 where: short stacking energy: -50.005 Base-Backbone interact. energy: -0.183 local terms energy: -65.382479 where: bonds (distance) C4'-P energy: -10.447 bonds (distance) P-C4' energy: -15.920 flat angles C4'-P-C4' energy: -15.533 flat angles P-C4'-P energy: -11.347 tors. eta vs tors. theta energy: -12.135 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: 5 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -185.586534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.586534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.586534 (E_RNA) where: Base-Base interactions energy: -125.789 where: short stacking energy: -47.187 Base-Backbone interact. energy: -0.227 local terms energy: -59.570819 where: bonds (distance) C4'-P energy: -11.226 bonds (distance) P-C4' energy: -11.911 flat angles C4'-P-C4' energy: -14.251 flat angles P-C4'-P energy: -11.239 tors. eta vs tors. theta energy: -10.944 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: 4 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -169.792401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.792401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.792401 (E_RNA) where: Base-Base interactions energy: -114.504 where: short stacking energy: -53.671 Base-Backbone interact. energy: -0.017 local terms energy: -55.270707 where: bonds (distance) C4'-P energy: -9.024 bonds (distance) P-C4' energy: -12.233 flat angles C4'-P-C4' energy: -13.692 flat angles P-C4'-P energy: -8.684 tors. eta vs tors. theta energy: -11.638 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: 7 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -164.991762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.991762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.991762 (E_RNA) where: Base-Base interactions energy: -108.851 where: short stacking energy: -43.937 Base-Backbone interact. energy: -0.157 local terms energy: -55.983847 where: bonds (distance) C4'-P energy: -14.275 bonds (distance) P-C4' energy: -11.859 flat angles C4'-P-C4' energy: -7.772 flat angles P-C4'-P energy: -7.721 tors. eta vs tors. theta energy: -14.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -171.252710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.252710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.252710 (E_RNA) where: Base-Base interactions energy: -114.904 where: short stacking energy: -50.111 Base-Backbone interact. energy: -0.694 local terms energy: -55.655073 where: bonds (distance) C4'-P energy: -13.665 bonds (distance) P-C4' energy: -13.996 flat angles C4'-P-C4' energy: -11.804 flat angles P-C4'-P energy: -5.745 tors. eta vs tors. theta energy: -10.445 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: 8 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -78.125420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.125420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.125420 (E_RNA) where: Base-Base interactions energy: -33.996 where: short stacking energy: -24.391 Base-Backbone interact. energy: -0.084 local terms energy: -44.045889 where: bonds (distance) C4'-P energy: -13.807 bonds (distance) P-C4' energy: -10.511 flat angles C4'-P-C4' energy: -12.195 flat angles P-C4'-P energy: -8.435 tors. eta vs tors. theta energy: 0.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -77.654869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.654869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.654869 (E_RNA) where: Base-Base interactions energy: -27.257 where: short stacking energy: -25.927 Base-Backbone interact. energy: 0.479 local terms energy: -50.876606 where: bonds (distance) C4'-P energy: -12.060 bonds (distance) P-C4' energy: -16.507 flat angles C4'-P-C4' energy: -12.890 flat angles P-C4'-P energy: -9.061 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: 1 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -208.277634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.277634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.277634 (E_RNA) where: Base-Base interactions energy: -136.747 where: short stacking energy: -63.517 Base-Backbone interact. energy: -0.170 local terms energy: -71.360646 where: bonds (distance) C4'-P energy: -13.459 bonds (distance) P-C4' energy: -17.584 flat angles C4'-P-C4' energy: -14.879 flat angles P-C4'-P energy: -10.048 tors. eta vs tors. theta energy: -15.390 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: 9 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -206.192044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.192044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.192044 (E_RNA) where: Base-Base interactions energy: -137.929 where: short stacking energy: -66.144 Base-Backbone interact. energy: -0.695 local terms energy: -67.568582 where: bonds (distance) C4'-P energy: -13.123 bonds (distance) P-C4' energy: -15.290 flat angles C4'-P-C4' energy: -13.319 flat angles P-C4'-P energy: -8.543 tors. eta vs tors. theta energy: -17.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -213.413583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.413583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.413583 (E_RNA) where: Base-Base interactions energy: -146.883 where: short stacking energy: -55.658 Base-Backbone interact. energy: -0.766 local terms energy: -65.764501 where: bonds (distance) C4'-P energy: -10.243 bonds (distance) P-C4' energy: -16.199 flat angles C4'-P-C4' energy: -13.429 flat angles P-C4'-P energy: -7.571 tors. eta vs tors. theta energy: -18.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -198.077862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.077862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.077862 (E_RNA) where: Base-Base interactions energy: -134.001 where: short stacking energy: -52.912 Base-Backbone interact. energy: -0.068 local terms energy: -64.008049 where: bonds (distance) C4'-P energy: -15.959 bonds (distance) P-C4' energy: -14.188 flat angles C4'-P-C4' energy: -12.824 flat angles P-C4'-P energy: -9.326 tors. eta vs tors. theta energy: -11.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -184.104560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.104560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.104560 (E_RNA) where: Base-Base interactions energy: -117.544 where: short stacking energy: -54.630 Base-Backbone interact. energy: -0.005 local terms energy: -66.555838 where: bonds (distance) C4'-P energy: -12.299 bonds (distance) P-C4' energy: -14.355 flat angles C4'-P-C4' energy: -13.831 flat angles P-C4'-P energy: -10.698 tors. eta vs tors. theta energy: -15.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -181.205358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.205358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.205358 (E_RNA) where: Base-Base interactions energy: -120.005 where: short stacking energy: -46.381 Base-Backbone interact. energy: -0.173 local terms energy: -61.027294 where: bonds (distance) C4'-P energy: -13.037 bonds (distance) P-C4' energy: -14.583 flat angles C4'-P-C4' energy: -14.333 flat angles P-C4'-P energy: -8.178 tors. eta vs tors. theta energy: -10.898 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: 501 Temperature: 1.200000 Total energy: -167.937419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.937419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.937419 (E_RNA) where: Base-Base interactions energy: -106.292 where: short stacking energy: -46.493 Base-Backbone interact. energy: -0.534 local terms energy: -61.111247 where: bonds (distance) C4'-P energy: -16.514 bonds (distance) P-C4' energy: -16.640 flat angles C4'-P-C4' energy: -14.721 flat angles P-C4'-P energy: -6.555 tors. eta vs tors. theta energy: -6.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -169.885550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.885550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.885550 (E_RNA) where: Base-Base interactions energy: -113.282 where: short stacking energy: -50.006 Base-Backbone interact. energy: -0.582 local terms energy: -56.021718 where: bonds (distance) C4'-P energy: -13.947 bonds (distance) P-C4' energy: -10.840 flat angles C4'-P-C4' energy: -12.205 flat angles P-C4'-P energy: -6.546 tors. eta vs tors. theta energy: -12.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -96.820748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.820748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.820748 (E_RNA) where: Base-Base interactions energy: -56.436 where: short stacking energy: -27.185 Base-Backbone interact. energy: -0.268 local terms energy: -40.115881 where: bonds (distance) C4'-P energy: -10.826 bonds (distance) P-C4' energy: -9.208 flat angles C4'-P-C4' energy: -8.022 flat angles P-C4'-P energy: -8.552 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: 10, replica: 2 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -94.039607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.039607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.039607 (E_RNA) where: Base-Base interactions energy: -39.766 where: short stacking energy: -39.766 Base-Backbone interact. energy: -0.034 local terms energy: -54.238883 where: bonds (distance) C4'-P energy: -12.945 bonds (distance) P-C4' energy: -14.389 flat angles C4'-P-C4' energy: -10.303 flat angles P-C4'-P energy: -6.812 tors. eta vs tors. theta energy: -9.791 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) replica 9 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 15298519 moves confirmed later: 18102459 all moves confirmed: 33400978 percent of confirmed moves: 4.175122 current total energy: -174.229185 recalc. total energy: -174.229185 replica 1 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 15424043 moves confirmed later: 18201326 all moves confirmed: 33625369 percent of confirmed moves: 4.203171 current total energy: -160.757391 recalc. total energy: -160.757391 replica 3 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 20477878 moves confirmed later: 24955833 all moves confirmed: 45433711 percent of confirmed moves: 5.679214 current total energy: -161.928726 recalc. total energy: -161.928726 replica 10 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 12325607 moves confirmed later: 14102533 all moves confirmed: 26428140 percent of confirmed moves: 3.303517 current total energy: -129.322477 recalc. total energy: -129.322477 replica 5 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 18664081 moves confirmed later: 22522719 all moves confirmed: 41186800 percent of confirmed moves: 5.148350 current total energy: -165.115753 recalc. total energy: -165.115753 replica 7 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 14395180 moves confirmed later: 16917190 all moves confirmed: 31312370 percent of confirmed moves: 3.914046 current total energy: -134.075266 recalc. total energy: -134.075266 replica 6 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 18252433 moves confirmed later: 22007593 all moves confirmed: 40260026 percent of confirmed moves: 5.032503 current total energy: -105.009475 recalc. total energy: -105.009475 replica 4 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 13639475 moves confirmed later: 15837435 all moves confirmed: 29476910 percent of confirmed moves: 3.684614 current total energy: -122.770107 recalc. total energy: -122.770107 replica 2 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 16269050 moves confirmed later: 19365520 all moves confirmed: 35634570 percent of confirmed moves: 4.454321 current total energy: -39.697251 recalc. total energy: -39.697251 replica 8 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 15818119 moves confirmed later: 18765506 all moves confirmed: 34583625 percent of confirmed moves: 4.322953 current total energy: -44.671887 recalc. total energy: -44.671887 out arg RESULTS//1/PI-5990f917_01 Time of doing 8000000 iterations: 1944.884 seconds